Jamie1701/spliced_dataset_split · Datasets at Hugging Face

pretty_formula stringlengths 4 14	CIF stringlengths 825 3.16k	matches_count_scaled float64 0 1	Database stringclasses 1 value	Reduced Formula stringclasses 1 value	split stringclasses 3 values	source stringclasses 2 values	space_group stringclasses 15 values	Material ID int64 0 6.01k	contains_Boron bool 2 classes	__index_level_0__ int64 0 6.18k
Ta4 Si2 Mo4 C6	data_[Ta4Si2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1541] _cell_length_b [3...	0.797419	N/A	N/A	train	original data	P6_3/mmc	5,565	false	4,460
Hf4 V2 Pb2 N4	data_[Hf4V2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2582] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3/mmc	3,051	false	2,438
Nb4 Cr4 Ge2 C6	data_[Nb4Cr4Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0797] _cell_length_b [3...	0.761638	N/A	N/A	train	original data	P6_3/mmc	2,573	false	2,050
Mn4 Tl2 Cr2 N4	data_[Mn4Tl2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0046] _cell_length_b [3...	0.293706	N/A	N/A	train	original data	P6_3/mmc	3,319	false	2,658
Ta4 Nb2 C4 S2	data_[Ta4Nb2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1816] _cell_length_b [3.1...	0.798068	N/A	N/A	train	original data	P6_3/mmc	5,146	false	4,122
Zr2 Tl2 V2 C2	data_[Zr2Tl2V2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2472] _cell_length_b [3.247...	0.798068	N/A	N/A	train	original data	P6_3mc	2,644	false	2,110
Ti2 Mn2 P2 C2	data_[Ti2Mn2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1217] _cell_length_b [3.121...	0.2145	N/A	N/A	train	original data	P6_3mc	542	false	418
Y10Si6C2	data_[Y10Si6C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [8.4616] _cell_length_b [8.4616] _cell_length_c [6.4491] _c...	0.656417	N/A	null	train	synthetic, MP or NOMAD	P6_3/mcm	128	false	4,885
Mn4 V2 P2 N4	data_[Mn4V2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9979] _cell_length_b [2.997...	0.307412	N/A	N/A	train	original data	P6_3/mmc	3,936	false	3,144
Zr4 P2 W2 N4	data_[Zr4P2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2879] _cell_length_b [3.287...	1	N/A	N/A	train	original data	P6_3/mmc	4,317	false	3,457
Li2Be2B2	data_[Li2Be2B2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [3.7038] _cell_length_b [2.9987] _cell_length_c [5.7452] _ce...	0.411777	N/A	null	validation	synthetic, MP or NOMAD	P2_1/m	32	true	5,577
Sc8 Tl2 C6	data_[Sc8Tl2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3331] _cell_length_b [3.3331] _cell_length_c [26.8947] ...	0.216928	N/A	N/A	train	original data	P6_3/mmc	5,331	false	4,270
Ti2 Tl2 V2 N2	data_[Ti2Tl2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1346] _cell_length_b [3.134...	1	N/A	N/A	train	original data	P6_3mc	1,701	false	1,348
Ta4 Ge2 W4 C6	data_[Ta4Ge2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1646] _cell_length_b [3.1...	0.793856	N/A	N/A	train	original data	P6_3/mmc	945	false	753
V2 Cr2 Pb2 N2	data_[V2Cr2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1393] _cell_length_b [3.139...	1	N/A	N/A	train	original data	P6_3mc	669	false	531
Ca10Ni30B8	data_[Ca10Ni30B8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.0844] _cell_length_b [5.0844] _cell_length_c [27.8318...	0.814101	N/A	null	train	synthetic, MP or NOMAD	P6_3/mmc	268	true	4,950
Cr2 Ga2 W4 C4	data_[Cr2Ga2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9756] _cell_length_b [2.9...	0.756193	N/A	N/A	train	original data	P6_3/mmc	3,134	false	2,504
Sc4 Ti2 Ge2 C4	data_[Sc4Ti2Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2005] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	5,550	false	4,449
Zr2 Sc4 Tl2 C4	data_[Zr2Sc4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3442] _cell_length_b [3...	0.797263	N/A	N/A	train	original data	P6_3/mmc	3,534	false	2,825
Sc4 Ta4 Ga2 N6	data_[Sc4Ta4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1399] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	2,279	false	1,814
Mn4 V4 Ga2 N6	data_[Mn4V4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8752] _cell_length_b [2.8...	0.290159	N/A	N/A	train	original data	P6_3/mmc	2,384	false	1,902
Ta2 V2 Cd2 N2	data_[Ta2V2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0578] _cell_length_b [3.057...	1	N/A	N/A	train	original data	P6_3mc	3,296	false	2,638
Ti4 Nb2 Ga2 C4	data_[Ti4Nb2Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1311] _cell_length_b [3...	0.792531	N/A	N/A	test	original data	P6_3/mmc	2,871	false	5,878
Sc4 Mn2 S2 N4	data_[Sc4Mn2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1869] _cell_length_b [3.1...	0.236842	N/A	N/A	validation	original data	P6_3/mmc	5,002	false	5,480
Ti2 V2 Cd2 N2	data_[Ti2V2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0314] _cell_length_b [3.031...	1	N/A	N/A	train	original data	P6_3mc	1,556	false	1,234
Ta4 As2 W2 N4	data_[Ta4As2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0718] _cell_length_b [3.0...	0.995613	N/A	N/A	validation	original data	P6_3/mmc	4,440	false	5,416
Cr2 Mo2 As2 C2	data_[Cr2Mo2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1012] _cell_length_b [3.1...	0.755117	N/A	N/A	train	original data	P6_3mc	3,023	false	2,413
Mn4 Cr2 As2 N4	data_[Mn4Cr2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9587] _cell_length_b [2...	0.283713	N/A	N/A	train	original data	P6_3/mmc	5,744	false	4,601
Ti2 Nb2 As2 C2	data_[Ti2Nb2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2706] _cell_length_b [3.2...	0.792398	N/A	N/A	train	original data	P6_3mc	194	false	154
Hf4 Zr2 Al2 N4	data_[Hf4Zr2Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2006] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	4,100	false	3,276
Sc2 Si2 Mo4 N4	data_[Sc2Si2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0499] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	374	false	301
Sc2 Tl2 Mo2 N2	data_[Sc2Tl2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1851] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3mc	1,434	false	1,136
Nb4 Tl2 Cr4 N6	data_[Nb4Tl2Cr4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9977] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	253	false	199
Nb4 V4 In2 C6	data_[Nb4V4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0903] _cell_length_b [3.0...	0.795412	N/A	N/A	train	original data	P6_3/mmc	117	false	94
Ta4 Cr4 Ge2 N6	data_[Ta4Cr4Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9774] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	1,692	false	1,341
Hf4 V2 Sn2 N4	data_[Hf4V2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1648] _cell_length_b [3.1...	1	N/A	N/A	test	original data	P6_3/mmc	5,240	false	6,096
Zr4 Nb2 As2 C4	data_[Zr4Nb2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3729] _cell_length_b [3...	0.798068	N/A	N/A	test	original data	P6_3/mmc	5,785	false	6,154
Mn2 Si2 Mo2 N2	data_[Mn2Si2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8341] _cell_length_b [2.8...	0.297758	N/A	N/A	train	original data	P6_3mc	1,332	false	1,058
Hf2 Nb4 As2 C4	data_[Hf2Nb4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2933] _cell_length_b [3...	0.793219	N/A	N/A	train	original data	P6_3/mmc	5,017	false	4,015
Ti2 Cr2 As2 C2	data_[Ti2Cr2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0978] _cell_length_b [3.0...	0.760133	N/A	N/A	train	original data	P6_3mc	5,376	false	4,305
Sc4 Ga2 Mo2 C4	data_[Sc4Ga2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1743] _cell_length_b [3...	0.795924	N/A	N/A	train	original data	P6_3/mmc	5,822	false	4,658
Ti4 Al2 C2	data_[Ti4Al2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0653] _cell_length_b [3.0653] _cell_length_c [13.7355] ...	0.222693	N/A	N/A	train	original data	P6_3/mmc	3,106	false	2,482
Sc8 As2 N6	data_[Sc8As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2368] _cell_length_b [3.2368] _cell_length_c [23.2783] ...	0.238252	N/A	N/A	train	original data	P6_3/mmc	3,016	false	2,406
Zr2Nb2B6	data_[Zr4Nb4B12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.4438] _cell_length_b [19.7919] _cell_length_c [3.1792] _ce...	0.580905	N/A	null	train	synthetic, MP or NOMAD	Cmcm	89	true	4,857
Hf4 Sc2 Pb2 N4	data_[Hf4Sc2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2563] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	596	false	464
Ti4 Mn4 Ge2 N6	data_[Ti4Mn4Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9826] _cell_length_b [2...	0.302409	N/A	N/A	train	original data	P6_3/mmc	2,585	false	2,060
V2 Si2 Mo2 N2	data_[V2Si2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0218] _cell_length_b [3.021...	1	N/A	N/A	train	original data	P6_3mc	4,085	false	3,263
Ta4 Nb4 In2 C6	data_[Ta4Nb4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1601] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	1,055	false	838
Sc4 V2 Ga2 N4	data_[Sc4V2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1006] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	3,118	false	2,493
Ta2 Nb4 Pb2 N4	data_[Ta2Nb4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1887] _cell_length_b [3...	0.996654	N/A	N/A	train	original data	P6_3/mmc	1,237	false	978
Zr2 Mn2 Al2 C2	data_[Zr2Mn2Al2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0757] _cell_length_b [3.0...	0.19983	N/A	N/A	train	original data	P6_3mc	3,185	false	2,548
Mn2 Si2 Mo4 N4	data_[Mn2Si2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8684] _cell_length_b [2...	0.251304	N/A	N/A	train	original data	P6_3/mmc	3,819	false	3,054
Cr2 Mo2 Pb2 N2	data_[Cr2Mo2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1717] _cell_length_b [3.1...	1	N/A	N/A	validation	original data	P6_3mc	4,342	false	5,410
Sc4 Cr2 Ge2 C4	data_[Sc4Cr2Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1062] _cell_length_b [3...	0.760787	N/A	N/A	train	original data	P6_3/mmc	1,771	false	1,408
Hf2 Mn4 Al2 C4	data_[Hf2Mn4Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0412] _cell_length_b [3...	0.227475	N/A	N/A	train	original data	P6_3/mmc	2,933	false	2,342
Hf2 Mn4 As2 C4	data_[Hf2Mn4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1429] _cell_length_b [3...	0.214078	N/A	N/A	train	original data	P6_3/mmc	3,918	false	3,130
Hf2 Ti4 In2 N4	data_[Hf2Ti4In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1279] _cell_length_b [3...	1	N/A	N/A	validation	original data	P6_3/mmc	5,512	false	5,521
Zr2 Sc4 Tl2 N4	data_[Zr2Sc4Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2781] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	2,358	false	1,880
Mn4 Cr4 Pb2 N6	data_[Mn4Cr4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9965] _cell_length_b [2...	0.236999	N/A	N/A	train	original data	P6_3/mmc	1,722	false	1,367
Hf2 Ti4 Tl2 C4	data_[Hf2Ti4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2217] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	4,698	false	3,763
Hf2 Ta2 P2 N2	data_[Hf2Ta2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3196] _cell_length_b [3.319...	1	N/A	N/A	train	original data	P6_3mc	3,881	false	3,104
Ti4 Mn2 C4 S2	data_[Ti4Mn2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1648] _cell_length_b [3.1...	0.19983	N/A	N/A	train	original data	P6_3/mmc	1,719	false	1,364
Mn2 Cr4 P2 N4	data_[Mn2Cr4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8331] _cell_length_b [2.8...	0.293969	N/A	N/A	train	original data	P6_3/mmc	5,957	false	4,770
Ti4 Al2 V2 C4	data_[Ti4Al2V2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0382] _cell_length_b [3.0...	0.792813	N/A	N/A	validation	original data	P6_3/mmc	4,755	false	5,454
Hf2 Tl2 V2 N2	data_[Hf2Tl2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2196] _cell_length_b [3.219...	1	N/A	N/A	train	original data	P6_3mc	5,579	false	4,468
Mo2 Pb2 W2 C2	data_[Mo2Pb2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2310] _cell_length_b [3.231...	0.792398	N/A	N/A	train	original data	P6_3mc	3,929	false	3,138
Hf2 Al2 Cr4 N4	data_[Hf2Al2Cr4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0254] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	1,482	false	1,172
Zr4 Sc2 S2 N4	data_[Zr4Sc2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2689] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3/mmc	2,387	false	1,905
Sc4 Nb2 Sn2 C4	data_[Sc4Nb2Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2643] _cell_length_b [3...	0.792554	N/A	N/A	train	original data	P6_3/mmc	3,058	false	2,444
Ta2 Nb2 Ge2 N2	data_[Ta2Nb2Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2473] _cell_length_b [3.2...	0.997076	N/A	N/A	train	original data	P6_3mc	4,218	false	3,377
Cr4 In2 W4 N6	data_[Cr4In2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0837] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	2,882	false	2,302
Zr2 Cr4 P2 N4	data_[Zr2Cr4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1921] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	4,356	false	3,486
Hf2 Tl2 Cr2 C2	data_[Hf2Tl2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1997] _cell_length_b [3.1...	0.761955	N/A	N/A	train	original data	P6_3mc	2,921	false	2,334
Hf2 In2 Mo4 N4	data_[Hf2In2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1294] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	1,547	false	1,228
Cr2 Si2 W2 N2	data_[Cr2Si2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8678] _cell_length_b [2.867...	1	N/A	N/A	validation	original data	P6_3mc	1,313	false	5,098
Zr2 Ti4 S2 N4	data_[Zr2Ti4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1834] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	251	false	198
Sc4 V4 C6 S2	data_[Sc4V4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1613] _cell_length_b [3.161...	0.796999	N/A	N/A	train	original data	P6_3/mmc	2,080	false	1,661
Zr2 Sc2 Si2 N2	data_[Zr2Sc2Si2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2150] _cell_length_b [3.2...	1	N/A	N/A	validation	original data	P6_3mc	2,957	false	5,261
Zr4 V4 Si2 N6	data_[Zr4V4Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1530] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	40	false	33
Nb2 W4 S2 N4	data_[Nb2W4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9874] _cell_length_b [2.987...	1	N/A	N/A	validation	original data	P6_3/mmc	5,853	false	5,558
Ta2 Cr2 P2 N2	data_[Ta2Cr2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0155] _cell_length_b [3.015...	1	N/A	N/A	train	original data	P6_3mc	1,799	false	1,431
Zr2 Mn2 Tl2 N2	data_[Zr2Mn2Tl2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1871] _cell_length_b [3.1...	0.283777	N/A	N/A	test	original data	P6_3mc	3,704	false	5,947
Ti4 Al2 Cr4 N6	data_[Ti4Al2Cr4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9600] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	3,242	false	2,595
Sc4 Mo4 P2 C6	data_[Sc4Mo4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1534] _cell_length_b [3.1...	0.795514	N/A	N/A	test	original data	P6_3/mmc	5,152	false	6,086
Zr4 Ge2 W2 C4	data_[Zr4Ge2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2577] _cell_length_b [3.2...	0.798068	N/A	N/A	train	original data	P6_3/mmc	4,090	false	3,267
Zr4 Tl2 V4 C6	data_[Zr4Tl2V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2055] _cell_length_b [3.2...	0.792398	N/A	N/A	train	original data	P6_3/mmc	5,184	false	4,152
Sc4 Ta2 Al2 C4	data_[Sc4Ta2Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2069] _cell_length_b [3...	0.792398	N/A	N/A	validation	original data	P6_3/mmc	5,147	false	5,491
Ti2 Mn4 P2 N4	data_[Ti2Mn4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0350] _cell_length_b [3.0...	0.261477	N/A	N/A	train	original data	P6_3/mmc	1,612	false	1,281
Nb2 Mo2 P2 C2	data_[Nb2Mo2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2428] _cell_length_b [3.242...	0.798068	N/A	N/A	train	original data	P6_3mc	4,540	false	3,643
Sc6 In2 N4	data_[Sc6In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2328] _cell_length_b [3.2328] _cell_length_c [20.1559] ...	0.268492	N/A	N/A	validation	original data	P6_3/mmc	1,672	false	5,135
Mn2 Tl2 V2 C2	data_[Mn2Tl2V2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1042] _cell_length_b [3.104...	0.222837	N/A	N/A	train	original data	P6_3mc	727	false	576
Ta4 Cd2 W4 N6	data_[Ta4Cd2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9220] _cell_length_b [2.9...	0.996287	N/A	N/A	train	original data	P6_3/mmc	3,035	false	2,424
V2 Mo4 Pb2 C4	data_[V2Mo4Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1244] _cell_length_b [3.1...	0.792398	N/A	N/A	train	original data	P6_3/mmc	1,957	false	1,561
Cr4 Mo4 P2 C6	data_[Cr4Mo4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0833] _cell_length_b [3.0...	0.755117	N/A	N/A	train	original data	P6_3/mmc	3,559	false	2,847
Sc8 C6 S2	data_[Sc8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3608] _cell_length_b [3.3608] _cell_length_c [22.8214] _c...	0.19983	N/A	N/A	test	original data	P6_3/mmc	4,438	false	6,016
V4 As2 N2	data_[V4As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0645] _cell_length_b [3.0645] _cell_length_c [11.5315] _c...	0.236842	N/A	N/A	train	original data	P6_3/mmc	729	false	578
Tl2 V2 Mo2 N2	data_[Tl2V2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1487] _cell_length_b [3.148...	1	N/A	N/A	train	original data	P6_3mc	1,985	false	1,583
Hf4 Al2 W2 N4	data_[Hf4Al2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1407] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	5,808	false	4,648
Ta2 Mn2 C2 S2	data_[Ta2Mn2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1852] _cell_length_b [3.185...	0.201049	N/A	N/A	train	original data	P6_3mc	231	false	185
Cr6 In2 C4	data_[Cr6In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9551] _cell_length_b [2.9551] _cell_length_c [17.8278] ...	0.1747	N/A	N/A	train	original data	P6_3/mmc	3,634	false	2,908

Ta4 Si2 Mo4 C6

data_[Ta4Si2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1541] _cell_length_b [3...

0.797419

N/A

train

original data

P6_3/mmc

5,565

false

4,460

Hf4 V2 Pb2 N4

data_[Hf4V2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2582] _cell_length_b [3.2...

1

N/A

train

original data

P6_3/mmc

3,051

false

2,438

Nb4 Cr4 Ge2 C6

data_[Nb4Cr4Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0797] _cell_length_b [3...

0.761638

N/A

train

original data

P6_3/mmc

2,573

false

2,050

Mn4 Tl2 Cr2 N4

data_[Mn4Tl2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0046] _cell_length_b [3...

0.293706

N/A

train

original data

P6_3/mmc

3,319

false

2,658

Ta4 Nb2 C4 S2

data_[Ta4Nb2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1816] _cell_length_b [3.1...

0.798068

N/A

train

original data

P6_3/mmc

5,146

false

4,122

Zr2 Tl2 V2 C2

data_[Zr2Tl2V2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2472] _cell_length_b [3.247...

0.798068

N/A

train

original data

P6_3mc

2,644

false

2,110

Ti2 Mn2 P2 C2

data_[Ti2Mn2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1217] _cell_length_b [3.121...

0.2145

N/A

train

original data

P6_3mc

542

false

418

Y10Si6C2

data_[Y10Si6C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [8.4616] _cell_length_b [8.4616] _cell_length_c [6.4491] _c...

0.656417

N/A

null

train

synthetic, MP or NOMAD

P6_3/mcm

128

false

4,885

Mn4 V2 P2 N4

data_[Mn4V2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9979] _cell_length_b [2.997...

0.307412

N/A

train

original data

P6_3/mmc

3,936

false

3,144

Zr4 P2 W2 N4

data_[Zr4P2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2879] _cell_length_b [3.287...

1

N/A

train

original data

P6_3/mmc

4,317

false

3,457

Li2Be2B2

data_[Li2Be2B2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [3.7038] _cell_length_b [2.9987] _cell_length_c [5.7452] _ce...

0.411777

N/A

null

validation

synthetic, MP or NOMAD

P2_1/m

32

true

5,577

Sc8 Tl2 C6

data_[Sc8Tl2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3331] _cell_length_b [3.3331] _cell_length_c [26.8947] ...

0.216928

N/A

train

original data

P6_3/mmc

5,331

false

4,270

Ti2 Tl2 V2 N2

data_[Ti2Tl2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1346] _cell_length_b [3.134...

1

N/A

train

original data

P6_3mc

1,701

false

1,348

Ta4 Ge2 W4 C6

data_[Ta4Ge2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1646] _cell_length_b [3.1...

0.793856

N/A

train

original data

P6_3/mmc

945

false

753

V2 Cr2 Pb2 N2

data_[V2Cr2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1393] _cell_length_b [3.139...

1

N/A

train

original data

P6_3mc

669

false

531

Ca10Ni30B8

data_[Ca10Ni30B8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.0844] _cell_length_b [5.0844] _cell_length_c [27.8318...

0.814101

N/A

null

train

synthetic, MP or NOMAD

P6_3/mmc

268

true

4,950

Cr2 Ga2 W4 C4

data_[Cr2Ga2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9756] _cell_length_b [2.9...

0.756193

N/A

train

original data

P6_3/mmc

3,134

false

2,504

Sc4 Ti2 Ge2 C4

data_[Sc4Ti2Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2005] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

5,550

false

4,449

Zr2 Sc4 Tl2 C4

data_[Zr2Sc4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3442] _cell_length_b [3...

0.797263

N/A

train

original data

P6_3/mmc

3,534

false

2,825

Sc4 Ta4 Ga2 N6

data_[Sc4Ta4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1399] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

2,279

false

1,814

Mn4 V4 Ga2 N6

data_[Mn4V4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8752] _cell_length_b [2.8...

0.290159

N/A

train

original data

P6_3/mmc

2,384

false

1,902

Ta2 V2 Cd2 N2

data_[Ta2V2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0578] _cell_length_b [3.057...

1

N/A

train

original data

P6_3mc

3,296

false

2,638

Ti4 Nb2 Ga2 C4

data_[Ti4Nb2Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1311] _cell_length_b [3...

0.792531

N/A

test

original data

P6_3/mmc

2,871

false

5,878

Sc4 Mn2 S2 N4

data_[Sc4Mn2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1869] _cell_length_b [3.1...

0.236842

N/A

validation

original data

P6_3/mmc

5,002

false

5,480

Ti2 V2 Cd2 N2

data_[Ti2V2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0314] _cell_length_b [3.031...

1

N/A

train

original data

P6_3mc

1,556

false

1,234

Ta4 As2 W2 N4

data_[Ta4As2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0718] _cell_length_b [3.0...

0.995613

N/A

validation

original data

P6_3/mmc

4,440

false

5,416

Cr2 Mo2 As2 C2

data_[Cr2Mo2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1012] _cell_length_b [3.1...

0.755117

N/A

train

original data

P6_3mc

3,023

false

2,413

Mn4 Cr2 As2 N4

data_[Mn4Cr2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9587] _cell_length_b [2...

0.283713

N/A

train

original data

P6_3/mmc

5,744

false

4,601

Ti2 Nb2 As2 C2

data_[Ti2Nb2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2706] _cell_length_b [3.2...

0.792398

N/A

train

original data

P6_3mc

194

false

154

Hf4 Zr2 Al2 N4

data_[Hf4Zr2Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2006] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

4,100

false

3,276

Sc2 Si2 Mo4 N4

data_[Sc2Si2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0499] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

374

false

301

Sc2 Tl2 Mo2 N2

data_[Sc2Tl2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1851] _cell_length_b [3.1...

1

N/A

train

original data

P6_3mc

1,434

false

1,136

Nb4 Tl2 Cr4 N6

data_[Nb4Tl2Cr4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9977] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

253

false

199

Nb4 V4 In2 C6

data_[Nb4V4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0903] _cell_length_b [3.0...

0.795412

N/A

train

original data

P6_3/mmc

117

false

94

Ta4 Cr4 Ge2 N6

data_[Ta4Cr4Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9774] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

1,692

false

1,341

Hf4 V2 Sn2 N4

data_[Hf4V2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1648] _cell_length_b [3.1...

1

N/A

test

original data

P6_3/mmc

5,240

false

6,096

Zr4 Nb2 As2 C4

data_[Zr4Nb2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3729] _cell_length_b [3...

0.798068

N/A

test

original data

P6_3/mmc

5,785

false

6,154

Mn2 Si2 Mo2 N2

data_[Mn2Si2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8341] _cell_length_b [2.8...

0.297758

N/A

train

original data

P6_3mc

1,332

false

1,058

Hf2 Nb4 As2 C4

data_[Hf2Nb4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2933] _cell_length_b [3...

0.793219

N/A

train

original data

P6_3/mmc

5,017

false

4,015

Ti2 Cr2 As2 C2

data_[Ti2Cr2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0978] _cell_length_b [3.0...

0.760133

N/A

train

original data

P6_3mc

5,376

false

4,305

Sc4 Ga2 Mo2 C4

data_[Sc4Ga2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1743] _cell_length_b [3...

0.795924

N/A

train

original data

P6_3/mmc

5,822

false

4,658

Ti4 Al2 C2

data_[Ti4Al2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0653] _cell_length_b [3.0653] _cell_length_c [13.7355] ...

0.222693

N/A

train

original data

P6_3/mmc

3,106

false

2,482

Sc8 As2 N6

data_[Sc8As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2368] _cell_length_b [3.2368] _cell_length_c [23.2783] ...

0.238252

N/A

train

original data

P6_3/mmc

3,016

false

2,406

Zr2Nb2B6

data_[Zr4Nb4B12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.4438] _cell_length_b [19.7919] _cell_length_c [3.1792] _ce...

0.580905

N/A

null

train

synthetic, MP or NOMAD

Cmcm

89

true

4,857

Hf4 Sc2 Pb2 N4

data_[Hf4Sc2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2563] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

596

false

464

Ti4 Mn4 Ge2 N6

data_[Ti4Mn4Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9826] _cell_length_b [2...

0.302409

N/A

train

original data

P6_3/mmc

2,585

false

2,060

V2 Si2 Mo2 N2

data_[V2Si2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0218] _cell_length_b [3.021...

1

N/A

train

original data

P6_3mc

4,085

false

3,263

Ta4 Nb4 In2 C6

data_[Ta4Nb4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1601] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

1,055

false

838

Sc4 V2 Ga2 N4

data_[Sc4V2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1006] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

3,118

false

2,493

Ta2 Nb4 Pb2 N4

data_[Ta2Nb4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1887] _cell_length_b [3...

0.996654

N/A

train

original data

P6_3/mmc

1,237

false

978

Zr2 Mn2 Al2 C2

data_[Zr2Mn2Al2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0757] _cell_length_b [3.0...

0.19983

N/A

train

original data

P6_3mc

3,185

false

2,548

Mn2 Si2 Mo4 N4

data_[Mn2Si2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8684] _cell_length_b [2...

0.251304

N/A

train

original data

P6_3/mmc

3,819

false

3,054

Cr2 Mo2 Pb2 N2

data_[Cr2Mo2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1717] _cell_length_b [3.1...

1

N/A

validation

original data

P6_3mc

4,342

false

5,410

Sc4 Cr2 Ge2 C4

data_[Sc4Cr2Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1062] _cell_length_b [3...

0.760787

N/A

train

original data

P6_3/mmc

1,771

false

1,408

Hf2 Mn4 Al2 C4

data_[Hf2Mn4Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0412] _cell_length_b [3...

0.227475

N/A

train

original data

P6_3/mmc

2,933

false

2,342

Hf2 Mn4 As2 C4

data_[Hf2Mn4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1429] _cell_length_b [3...

0.214078

N/A

train

original data

P6_3/mmc

3,918

false

3,130

Hf2 Ti4 In2 N4

data_[Hf2Ti4In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1279] _cell_length_b [3...

1

N/A

validation

original data

P6_3/mmc

5,512

false

5,521

Zr2 Sc4 Tl2 N4

data_[Zr2Sc4Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2781] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

2,358

false

1,880

Mn4 Cr4 Pb2 N6

data_[Mn4Cr4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9965] _cell_length_b [2...

0.236999

N/A

train

original data

P6_3/mmc

1,722

false

1,367

Hf2 Ti4 Tl2 C4

data_[Hf2Ti4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2217] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

4,698

false

3,763

Hf2 Ta2 P2 N2

data_[Hf2Ta2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3196] _cell_length_b [3.319...

1

N/A

train

original data

P6_3mc

3,881

false

3,104

Ti4 Mn2 C4 S2

data_[Ti4Mn2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1648] _cell_length_b [3.1...

0.19983

N/A

train

original data

P6_3/mmc

1,719

false

1,364

Mn2 Cr4 P2 N4

data_[Mn2Cr4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8331] _cell_length_b [2.8...

0.293969

N/A

train

original data

P6_3/mmc

5,957

false

4,770

Ti4 Al2 V2 C4

data_[Ti4Al2V2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0382] _cell_length_b [3.0...

0.792813

N/A

validation

original data

P6_3/mmc

4,755

false

5,454

Hf2 Tl2 V2 N2

data_[Hf2Tl2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2196] _cell_length_b [3.219...

1

N/A

train

original data

P6_3mc

5,579

false

4,468

Mo2 Pb2 W2 C2

data_[Mo2Pb2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2310] _cell_length_b [3.231...

0.792398

N/A

train

original data

P6_3mc

3,929

false

3,138

Hf2 Al2 Cr4 N4

data_[Hf2Al2Cr4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0254] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

1,482

false

1,172

Zr4 Sc2 S2 N4

data_[Zr4Sc2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2689] _cell_length_b [3.2...

1

N/A

train

original data

P6_3/mmc

2,387

false

1,905

Sc4 Nb2 Sn2 C4

data_[Sc4Nb2Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2643] _cell_length_b [3...

0.792554

N/A

train

original data

P6_3/mmc

3,058

false

2,444

Ta2 Nb2 Ge2 N2

data_[Ta2Nb2Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2473] _cell_length_b [3.2...

0.997076

N/A

train

original data

P6_3mc

4,218

false

3,377

Cr4 In2 W4 N6

data_[Cr4In2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0837] _cell_length_b [3.0...

1

N/A

train

original data

P6_3/mmc

2,882

false

2,302

Zr2 Cr4 P2 N4

data_[Zr2Cr4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1921] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

4,356

false

3,486

Hf2 Tl2 Cr2 C2

data_[Hf2Tl2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1997] _cell_length_b [3.1...

0.761955

N/A

train

original data

P6_3mc

2,921

false

2,334

Hf2 In2 Mo4 N4

data_[Hf2In2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1294] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

1,547

false

1,228

Cr2 Si2 W2 N2

data_[Cr2Si2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8678] _cell_length_b [2.867...

1

N/A

validation

original data

P6_3mc

1,313

false

5,098

Zr2 Ti4 S2 N4

data_[Zr2Ti4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1834] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

251

false

198

Sc4 V4 C6 S2

data_[Sc4V4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1613] _cell_length_b [3.161...

0.796999

N/A

train

original data

P6_3/mmc

2,080

false

1,661

Zr2 Sc2 Si2 N2

data_[Zr2Sc2Si2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2150] _cell_length_b [3.2...

1

N/A

validation

original data

P6_3mc

2,957

false

5,261

Zr4 V4 Si2 N6

data_[Zr4V4Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1530] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

40

false

33

Nb2 W4 S2 N4

data_[Nb2W4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9874] _cell_length_b [2.987...

1

N/A

validation

original data

P6_3/mmc

5,853

false

5,558

Ta2 Cr2 P2 N2

data_[Ta2Cr2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0155] _cell_length_b [3.015...

1

N/A

train

original data

P6_3mc

1,799

false

1,431

Zr2 Mn2 Tl2 N2

data_[Zr2Mn2Tl2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1871] _cell_length_b [3.1...

0.283777

N/A

test

original data

P6_3mc

3,704

false

5,947

Ti4 Al2 Cr4 N6

data_[Ti4Al2Cr4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9600] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

3,242

false

2,595

Sc4 Mo4 P2 C6

data_[Sc4Mo4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1534] _cell_length_b [3.1...

0.795514

N/A

test

original data

P6_3/mmc

5,152

false

6,086

Zr4 Ge2 W2 C4

data_[Zr4Ge2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2577] _cell_length_b [3.2...

0.798068

N/A

train

original data

P6_3/mmc

4,090

false

3,267

Zr4 Tl2 V4 C6

data_[Zr4Tl2V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2055] _cell_length_b [3.2...

0.792398

N/A

train

original data

P6_3/mmc

5,184

false

4,152

Sc4 Ta2 Al2 C4

data_[Sc4Ta2Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2069] _cell_length_b [3...

0.792398

N/A

validation

original data

P6_3/mmc

5,147

false

5,491

Ti2 Mn4 P2 N4

data_[Ti2Mn4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0350] _cell_length_b [3.0...

0.261477

N/A

train

original data

P6_3/mmc

1,612

false

1,281

Nb2 Mo2 P2 C2

data_[Nb2Mo2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2428] _cell_length_b [3.242...

0.798068

N/A

train

original data

P6_3mc

4,540

false

3,643

Sc6 In2 N4

data_[Sc6In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2328] _cell_length_b [3.2328] _cell_length_c [20.1559] ...

0.268492

N/A

validation

original data

P6_3/mmc

1,672

false

5,135

Mn2 Tl2 V2 C2

data_[Mn2Tl2V2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1042] _cell_length_b [3.104...

0.222837

N/A

train

original data

P6_3mc

727

false

576

Ta4 Cd2 W4 N6

data_[Ta4Cd2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9220] _cell_length_b [2.9...

0.996287

N/A

train

original data

P6_3/mmc

3,035

false

2,424

V2 Mo4 Pb2 C4

data_[V2Mo4Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1244] _cell_length_b [3.1...

0.792398

N/A

train

original data

P6_3/mmc

1,957

false

1,561

Cr4 Mo4 P2 C6

data_[Cr4Mo4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0833] _cell_length_b [3.0...

0.755117

N/A

train

original data

P6_3/mmc

3,559

false

2,847

Sc8 C6 S2

data_[Sc8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3608] _cell_length_b [3.3608] _cell_length_c [22.8214] _c...

0.19983

N/A

test

original data

P6_3/mmc

4,438

false

6,016

V4 As2 N2

data_[V4As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0645] _cell_length_b [3.0645] _cell_length_c [11.5315] _c...

0.236842

N/A

train

original data

P6_3/mmc

729

false

578

Tl2 V2 Mo2 N2

data_[Tl2V2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1487] _cell_length_b [3.148...

1

N/A

train

original data

P6_3mc

1,985

false

1,583

Hf4 Al2 W2 N4

data_[Hf4Al2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1407] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

5,808

false

4,648

Ta2 Mn2 C2 S2

data_[Ta2Mn2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1852] _cell_length_b [3.185...

0.201049

N/A

train

original data

P6_3mc

231

false

185

Cr6 In2 C4

data_[Cr6In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9551] _cell_length_b [2.9551] _cell_length_c [17.8278] ...

0.1747

N/A

train

original data

P6_3/mmc

3,634

false

2,908