Jamie1701/spliced_dataset_split · Data Studio

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
Zr2 P2 W2 C2	data_[Zr2P2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3202] _cell_length_b [3.3202]...	0.792398	N/A	N/A	train	original data	P6_3mc	1,520	false	1,205
Mn2 Nb4 Tl2 C4	data_[Mn2Nb4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 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 [3.1667] _cell_length_b [3...	0.207682	N/A	N/A	test	original data	P6_3/mmc	5,313	false	6,104
Nb2 Cr2 Cd2 N2	data_[Nb2Cr2Cd2N2] 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 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 [3.0754] _cell_length_b [3.0...	1	N/A	N/A	validation	original data	P6_3mc	2,186	false	5,189
Sc2 Ta2 Ge2 C2	data_[Sc2Ta2Ge2C2] 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 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2022] _cell_length_b [3.2...	0.792816	N/A	N/A	train	original data	P6_3mc	3,154	false	2,522
Zr6 Al2 N4	data_[Zr6Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2390] _cell_length_b [3.2390] _cell_length_c [19.8018] ...	0.307412	N/A	N/A	train	original data	P6_3/mmc	2,547	false	2,030
Zr4 Mn2 Pb2 C4	data_[Zr4Mn2Pb2C4] 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 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 [3.2930] _cell_length_b [3...	0.217178	N/A	N/A	train	original data	P6_3/mmc	1,833	false	1,461
Hf4 Ge2 W2 C4	data_[Hf4Ge2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2464] _cell_length_b [3.2...	0.798068	N/A	N/A	validation	original data	P6_3/mmc	5,706	false	5,544
Ti4 Al2 W2 C4	data_[Ti4Al2W2C4] 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 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 [3.0743] _cell_length_b [3.0...	0.798068	N/A	N/A	train	original data	P6_3/mmc	5,293	false	4,239
Hf6 Cd2 N4	data_[Hf6Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2375] _cell_length_b [3.2375] _cell_length_c [19.9908] ...	0.257239	N/A	N/A	test	original data	P6_3/mmc	5,807	false	6,160
Cr4 Ga2 W2 N4	data_[Cr4Ga2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8103] _cell_length_b [2.8...	1	N/A	N/A	test	original data	P6_3/mmc	241	false	5,614
Ta4 Cd2 W4 C6	data_[Ta4Cd2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1225] _cell_length_b [3.1...	0.792398	N/A	N/A	test	original data	P6_3/mmc	1,415	false	5,736
Mn4 Ge2 C2	data_[Mn4Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9260] _cell_length_b [2.9260] _cell_length_c [11.7224] ...	0.000001	N/A	N/A	train	original data	P6_3/mmc	3,833	false	3,064
Sc4 Sn2 W2 N4	data_[Sc4Sn2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 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 [3.2187] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3/mmc	938	false	747
Ta2 Sn2 W2 N2	data_[Ta2Sn2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 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 [3.2613] _cell_length_b [3.261...	0.992143	N/A	N/A	train	original data	P6_3mc	2,447	false	1,955
Ta4 Ti4 P2 N6	data_[Ta4Ti4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 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 [3.0651] _cell_length_b [3.0...	1	N/A	N/A	validation	original data	P6_3/mmc	183	false	4,978
Cr4 Cd2 W4 C6	data_[Cr4Cd2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 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 [2.9765] _cell_length_b [2.9...	0.766583	N/A	N/A	train	original data	P6_3/mmc	4,989	false	3,993
Hf2 Ta4 Cd2 C4	data_[Hf2Ta4Cd2C4] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2223] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	1,658	false	1,319
V4 Mo4 As2 C6	data_[V4Mo4As2C6] 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 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 [3.0388] _cell_length_b [3.0...	0.795542	N/A	N/A	train	original data	P6_3/mmc	1,645	false	1,308
Hf2 Mn2 Al2 C2	data_[Hf2Mn2Al2C2] 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_3mc] _cell_length_a [3.0595] _cell_length_b [3.0...	0.217764	N/A	N/A	train	original data	P6_3mc	4,295	false	3,441
Mo2 W4 C4 S2	data_[Mo2W4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 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 [3.1171] _cell_length_b [3.117...	0.794958	N/A	N/A	train	original data	P6_3/mmc	4,125	false	3,297
Cr2 Si2 W2 C2	data_[Cr2Si2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9990] _cell_length_b [2.999...	0.767083	N/A	N/A	train	original data	P6_3mc	5,337	false	4,274
V2 Cd2 W2 N2	data_[V2Cd2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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_3mc] _cell_length_a [3.0020] _cell_length_b [3.0020]...	1	N/A	N/A	train	original data	P6_3mc	3,110	false	2,486
Ti4 Si2 W4 N6	data_[Ti4Si2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3/mmc] _cell_length_a [2.9952] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	2,911	false	2,326
Sc4 Ta4 As2 C6	data_[Sc4Ta4As2C6] 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 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 [3.2400] _cell_length_b [3...	0.792398	N/A	N/A	train	original data	P6_3/mmc	1,843	false	1,469
Hf4 Zr2 Sn2 C4	data_[Hf4Zr2Sn2C4] 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 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 [3.3517] _cell_length_b [3...	0.792398	N/A	N/A	train	original data	P6_3/mmc	3,252	false	2,604
Mn2 Ga2 Mo4 C4	data_[Mn2Ga2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0150] _cell_length_b [3...	0.219501	N/A	N/A	train	original data	P6_3/mmc	4,890	false	3,914
Cr4 Si2 Mo2 N4	data_[Cr4Si2Mo2N4] 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 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 [2.8225] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	2,923	false	2,335
Tl2 V6 N4	data_[Tl2V6N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9847] _cell_length_b [2.9847] _cell_length_c [18.4909] _c...	0.257109	N/A	N/A	train	original data	P6_3/mmc	3,117	false	2,492
Ta2 Nb2 Cd2 C2	data_[Ta2Nb2Cd2C2] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1558] _cell_length_b [3.1...	0.797248	N/A	N/A	train	original data	P6_3mc	14	false	10
Ta4 Al2 Cr2 N4	data_[Ta4Al2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [2.9269] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	2,084	false	1,664
Ta4 Tl2 C2	data_[Ta4Tl2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.2099] _cell_length_b [3.2099] _cell_length_c [14.4973] ...	0.217665	N/A	N/A	train	original data	P6_3/mmc	3,717	false	2,975
Cr8 In2 N6	data_[Cr8In2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9878] _cell_length_b [2.9878] _cell_length_c [21.6256] ...	0.236842	N/A	N/A	train	original data	P6_3/mmc	3,378	false	2,709
Ta4 V4 Cd2 N6	data_[Ta4V4Cd2N6] 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_3/mmc] _cell_length_a [2.9753] _cell_length_b [2.9...	1	N/A	N/A	test	original data	P6_3/mmc	256	false	5,619
Nb4 Ga2 W4 C6	data_[Nb4Ga2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1366] _cell_length_b [3.1...	0.792398	N/A	N/A	train	original data	P6_3/mmc	962	false	767
Nb2 Ge2 W4 N4	data_[Nb2Ge2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [2.9580] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	1,215	false	961
Ti2 Mo2 As2 C2	data_[Ti2Mo2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.2034] _cell_length_b [3.2...	0.795773	N/A	N/A	train	original data	P6_3mc	1,470	false	1,163
AlB2Fe2	data_[Al2Fe4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.8900] _cell_length_b [10.9260] _cell_length_c [2.8623] _cel...	0.513288	N/A	null	train	synthetic, MP or NOMAD	Cmmm	228	true	4,931
K4Sc4B16H64	data_[K4Sc4B16H64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.3531] _cell_length_b [8.3053...	0.938556	N/A	null	train	synthetic, MP or NOMAD	Pnma	170	true	4,909
Nb4 V4 As2 C6	data_[Nb4V4As2C6] 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 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 [3.1294] _cell_length_b [3.1...	0.792398	N/A	N/A	train	original data	P6_3/mmc	593	false	462
Nb4 In2 Mo2 N4	data_[Nb4In2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.0113] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	5,311	false	4,254
Nb4 Ge2 Mo4 C6	data_[Nb4Ge2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [3.1509] _cell_length_b [3...	0.795676	N/A	N/A	train	original data	P6_3/mmc	2,222	false	1,768
Ta4 Ge2 Mo2 C4	data_[Ta4Ge2Mo2C4] 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 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 [3.1504] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	1,413	false	1,121
Nb2 Cr2 S2 N2	data_[Nb2Cr2S2N2] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1607] _cell_length_b [3.160...	1	N/A	N/A	train	original data	P6_3mc	547	false	423
Nb2 Si2 W4 C4	data_[Nb2Si2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 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 [3.1270] _cell_length_b [3.1...	0.797821	N/A	N/A	train	original data	P6_3/mmc	6,003	false	4,803
Hf2 Zr2 Cd2 C2	data_[Hf2Zr2Cd2C2] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3107] _cell_length_b [3.3...	0.798068	N/A	N/A	train	original data	P6_3mc	592	false	461
Al2 Mo4 W4 N6	data_[Al2Mo4W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 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 [2.8227] _cell_length_b [2.8...	1	N/A	N/A	train	original data	P6_3/mmc	2,793	false	2,231
Zr4 Mn2 Cd2 N4	data_[Zr4Mn2Cd2N4] 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 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2191] _cell_length_b [3...	0.248307	N/A	N/A	test	original data	P6_3/mmc	1,356	false	5,730
Zr2 Ti2 Pb2 N2	data_[Zr2Ti2Pb2N2] 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 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 [3.2413] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3mc	1,949	false	1,555
Mn2 Mo4 Pb2 C4	data_[Mn2Mo4Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.1664] _cell_length_b [3...	0.19983	N/A	N/A	train	original data	P6_3/mmc	3,155	false	2,523
V4 Cr4 Ga2 N6	data_[V4Cr4Ga2N6] 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 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 [2.9591] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	3,778	false	3,023
Ta4 Ga2 Mo4 N6	data_[Ta4Ga2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 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 [2.9126] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	4,718	false	3,780
Ta4 Mn2 Pb2 C4	data_[Ta4Mn2Pb2C4] 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 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 [3.2161] _cell_length_b [3...	0.216838	N/A	N/A	train	original data	P6_3/mmc	5,650	false	4,526
Ta4 Si2 W4 C6	data_[Ta4Si2W4C6] 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 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 [3.1640] _cell_length_b [3.1...	0.793596	N/A	N/A	train	original data	P6_3/mmc	1,410	false	1,118
Hf4 Mn2 Al2 N4	data_[Hf4Mn2Al2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1638] _cell_length_b [3...	0.307412	N/A	N/A	test	original data	P6_3/mmc	2,415	false	5,826
Sc4 Nb4 P2 N6	data_[Sc4Nb4P2N6] 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 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 [3.1682] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	1,668	false	1,325
Zr2 Sc4 In2 N4	data_[Zr2Sc4In2N4] 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 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 [3.2643] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	1,802	false	1,433
Nb2 Ge2 Mo4 C4	data_[Nb2Ge2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [3.1185] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	4,571	false	3,666
Al2 V4 C2	data_[Al2V4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9050] _cell_length_b [2.9050] _cell_length_c [13.1096] _c...	0.236842	N/A	N/A	train	original data	P6_3/mmc	375	false	302
Hf4 Ge2 W2 N4	data_[Hf4Ge2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ge 2.0100 1.2500 0.7700 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 [3.1878] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	5,777	false	4,627
Zr2 Ga2 Mo2 N2	data_[Zr2Ga2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ga 1.8100 1.3000 0.7600 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 [3.2097] _cell_length_b [3.2...	1	N/A	N/A	validation	original data	P6_3mc	1,852	false	5,150
Zr2 Ta2 Si2 N2	data_[Zr2Ta2Si2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 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 [3.2491] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3mc	1,438	false	1,140
Zr4 Ti2 S2 N4	data_[Zr4Ti2S2N4] 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 [3.1963] _cell_length_b [3.1...	1	N/A	N/A	validation	original data	P6_3/mmc	4,786	false	5,458
Hf4 Tl2 V2 N4	data_[Hf4Tl2V2N4] 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_3/mmc] _cell_length_a [3.2449] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3/mmc	4,442	false	3,560
Hf4 Zr2 Sn2 N4	data_[Hf4Zr2Sn2N4] 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 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 [3.2360] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	5,897	false	4,719
Hf2 Nb4 P2 C4	data_[Hf2Nb4P2C4] 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 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 [3.2668] _cell_length_b [3.2...	0.792398	N/A	N/A	train	original data	P6_3/mmc	4,645	false	3,722
Sr8B4N8F4	data_[Sr8B4N8F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9301] _cell_length_b [3.9371] _...	0.532623	N/A	null	train	synthetic, MP or NOMAD	Pnma	275	true	4,954
Hf2 Mn2 Ge2 N2	data_[Hf2Mn2Ge2N2] 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 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 [3.0990] _cell_length_b [3.0...	0.265542	N/A	N/A	train	original data	P6_3mc	778	false	617
Hf2 Sn2 W4 N4	data_[Hf2Sn2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 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 [3.1539] _cell_length_b [3.1...	1	N/A	N/A	test	original data	P6_3/mmc	3,079	false	5,899
V2 Cd2 W2 C2	data_[V2Cd2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 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 [3.0286] _cell_length_b [3.0286]...	0.794542	N/A	N/A	train	original data	P6_3mc	3,140	false	2,510
Ti2 V4 Cd2 C4	data_[Ti2V4Cd2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0360] _cell_length_b [3.0...	0.798068	N/A	N/A	train	original data	P6_3/mmc	3,637	false	2,910
V6 Pb2 C4	data_[V6Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0781] _cell_length_b [3.0781] _cell_length_c [18.2565] _c...	0.203569	N/A	N/A	validation	original data	P6_3/mmc	2,552	false	5,228
Ti4 Mn2 As2 C4	data_[Ti4Mn2As2C4] 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 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 [3.1319] _cell_length_b [3...	0.214125	N/A	N/A	train	original data	P6_3/mmc	2,154	false	1,716
Zr2 Nb2 Al2 N2	data_[Zr2Nb2Al2N2] 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 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1507] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3mc	372	false	299
Sc4 Mn4 Sn2 C6	data_[Sc4Mn4Sn2C6] 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 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 [3.1416] _cell_length_b [3...	0.202619	N/A	N/A	train	original data	P6_3/mmc	2,056	false	1,642
Hf2 Ti4 Ge2 N4	data_[Hf2Ti4Ge2N4] 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 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 [3.0964] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	5,461	false	4,373
Zr2 Ta4 Ge2 C4	data_[Zr2Ta4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 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 [3.2494] _cell_length_b [3...	0.792398	N/A	N/A	validation	original data	P6_3/mmc	4,441	false	5,417
Hf4 Al2 V4 C6	data_[Hf4Al2V4C6] 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 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 [3.1319] _cell_length_b [3.1...	0.792398	N/A	N/A	test	original data	P6_3/mmc	715	false	5,667
Hf4 Si2 Mo2 N4	data_[Hf4Si2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2054] _cell_length_b [3...	1	N/A	N/A	test	original data	P6_3/mmc	1,591	false	5,753
Zr4 Al2 V2 C4	data_[Zr4Al2V2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2126] _cell_length_b [3.2...	0.793887	N/A	N/A	validation	original data	P6_3/mmc	3,340	false	5,301
Cr6 C4 S2	data_[Cr6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.9537] _cell_length_b [2.9537] _cell_length_c [15.6610] _c...	0.170337	N/A	N/A	train	original data	P6_3/mmc	3,862	false	3,087
TiV2C2	data_[Ti3V6C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.9397] _cell_length_b [2.9397] _cell_length_c [20.7984] _cell_...	0.569147	N/A	null	train	synthetic, MP or NOMAD	R-3m	123	false	4,883
Mn2 Tl2 Mo4 N4	data_[Mn2Tl2Mo4N4] 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 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 [3.0412] _cell_length_b [3...	0.307412	N/A	N/A	train	original data	P6_3/mmc	4,554	false	3,654
Ta2 Nb4 Pb2 C4	data_[Ta2Nb4Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1953] _cell_length_b [3...	0.79462	N/A	N/A	train	original data	P6_3/mmc	3,024	false	2,414
Cr4 Sn2 N2	data_[Cr4Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [3.0570] _cell_length_b [3.0570] _cell_length_c [12.5053] ...	0.25116	N/A	N/A	train	original data	P6_3/mmc	5,673	false	4,544
V4 Mo4 P2 C6	data_[V4Mo4P2C6] 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 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 [3.0809] _cell_length_b [3.080...	0.796834	N/A	N/A	train	original data	P6_3/mmc	5,228	false	4,187
Sc4 V2 Ge2 C4	data_[Sc4V2Ge2C4] 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 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 [3.1351] _cell_length_b [3.1...	0.79605	N/A	N/A	train	original data	P6_3/mmc	5,163	false	4,137
Nb4 Mo4 S2 N6	data_[Nb4Mo4S2N6] 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 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 [3.0145] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	3,080	false	2,461
Ta2 Ti2 In2 N2	data_[Ta2Ti2In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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_3mc] _cell_length_a [3.1031] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3mc	643	false	507
Hf4 Nb4 Si2 N6	data_[Hf4Nb4Si2N6] 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 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 [3.1556] _cell_length_b [3...	1	N/A	N/A	test	original data	P6_3/mmc	5,278	false	6,100
Cr2 Ga2 W2 C2	data_[Cr2Ga2W2C2] 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_3mc] _cell_length_a [2.9692] _cell_length_b [2.969...	0.757419	N/A	N/A	train	original data	P6_3mc	3,745	false	2,997
Ta2 Nb4 P2 C4	data_[Ta2Nb4P2C4] 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 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 [3.2064] _cell_length_b [3.2...	0.798068	N/A	N/A	train	original data	P6_3/mmc	2,819	false	2,252
Sc2 Nb2 Pb2 C2	data_[Sc2Nb2Pb2C2] 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 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2996] _cell_length_b [3.2...	0.795034	N/A	N/A	train	original data	P6_3mc	2,023	false	1,615
Sc2 Ta4 In2 C4	data_[Sc2Ta4In2C4] 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 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 [3.2128] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	5,796	false	4,640
Sc4B8Os4	data_[Sc4B8Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 B 2.0400 0.8500 0.4100 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6537] _cell_length_b [5.1838] _cell_length_c [6.1731] _cell...	0.463197	N/A	null	train	synthetic, MP or NOMAD	Pnma	198	true	4,920
Ti2 Cr2 In2 N2	data_[Ti2Cr2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1085] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3mc	3,187	false	2,550
Mn2 Nb2 C2 S2	data_[Mn2Nb2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3mc] _cell_length_a [3.1780] _cell_length_b [3.178...	0.202726	N/A	N/A	train	original data	P6_3mc	1,201	false	948
Zr4 Cr4 C6 S2	data_[Zr4Cr4C6S2] 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 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 [3.1624] _cell_length_b [3.1...	0.76204	N/A	N/A	train	original data	P6_3/mmc	611	false	479
Ta2 Ti2 P2 N2	data_[Ta2Ti2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 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 [3.2038] _cell_length_b [3.203...	1	N/A	N/A	train	original data	P6_3mc	896	false	714
Zr2 P2 W4 N4	data_[Zr2P2W4N4] 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 [3.1720] _cell_length_b [3.172...	1	N/A	N/A	validation	original data	P6_3/mmc	5,836	false	5,555
Sc4 Mo4 Pb2 C6	data_[Sc4Mo4Pb2C6] 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 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 [3.1839] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	3,074	false	2,458

Zr2 P2 W2 C2

data_[Zr2P2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3202] _cell_length_b [3.3202]...

0.792398

N/A

train

original data

P6_3mc

1,520

false

1,205

Mn2 Nb4 Tl2 C4

data_[Mn2Nb4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 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 [3.1667] _cell_length_b [3...

0.207682

N/A

test

original data

P6_3/mmc

5,313

false

6,104

Nb2 Cr2 Cd2 N2

data_[Nb2Cr2Cd2N2] 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 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 [3.0754] _cell_length_b [3.0...

1

N/A

validation

original data

P6_3mc

2,186

false

5,189

Sc2 Ta2 Ge2 C2

data_[Sc2Ta2Ge2C2] 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 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2022] _cell_length_b [3.2...

0.792816

N/A

train

original data

P6_3mc

3,154

false

2,522

Zr6 Al2 N4

data_[Zr6Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2390] _cell_length_b [3.2390] _cell_length_c [19.8018] ...

0.307412

N/A

train

original data

P6_3/mmc

2,547

false

2,030

Zr4 Mn2 Pb2 C4

data_[Zr4Mn2Pb2C4] 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 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 [3.2930] _cell_length_b [3...

0.217178

N/A

train

original data

P6_3/mmc

1,833

false

1,461

Hf4 Ge2 W2 C4

data_[Hf4Ge2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2464] _cell_length_b [3.2...

0.798068

N/A

validation

original data

P6_3/mmc

5,706

false

5,544

Ti4 Al2 W2 C4

data_[Ti4Al2W2C4] 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 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 [3.0743] _cell_length_b [3.0...

0.798068

N/A

train

original data

P6_3/mmc

5,293

false

4,239

Hf6 Cd2 N4

data_[Hf6Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2375] _cell_length_b [3.2375] _cell_length_c [19.9908] ...

0.257239

N/A

test

original data

P6_3/mmc

5,807

false

6,160

Cr4 Ga2 W2 N4

data_[Cr4Ga2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8103] _cell_length_b [2.8...

1

N/A

test

original data

P6_3/mmc

241

false

5,614

Ta4 Cd2 W4 C6

data_[Ta4Cd2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1225] _cell_length_b [3.1...

0.792398

N/A

test

original data

P6_3/mmc

1,415

false

5,736

Mn4 Ge2 C2

data_[Mn4Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9260] _cell_length_b [2.9260] _cell_length_c [11.7224] ...

0.000001

N/A

train

original data

P6_3/mmc

3,833

false

3,064

Sc4 Sn2 W2 N4

data_[Sc4Sn2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 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 [3.2187] _cell_length_b [3.2...

1

N/A

train

original data

P6_3/mmc

938

false

747

Ta2 Sn2 W2 N2

data_[Ta2Sn2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 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 [3.2613] _cell_length_b [3.261...

0.992143

N/A

train

original data

P6_3mc

2,447

false

1,955

Ta4 Ti4 P2 N6

data_[Ta4Ti4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 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 [3.0651] _cell_length_b [3.0...

1

N/A

validation

original data

P6_3/mmc

183

false

4,978

Cr4 Cd2 W4 C6

data_[Cr4Cd2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 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 [2.9765] _cell_length_b [2.9...

0.766583

N/A

train

original data

P6_3/mmc

4,989

false

3,993

Hf2 Ta4 Cd2 C4

data_[Hf2Ta4Cd2C4] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2223] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

1,658

false

1,319

V4 Mo4 As2 C6

data_[V4Mo4As2C6] 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 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 [3.0388] _cell_length_b [3.0...

0.795542

N/A

train

original data

P6_3/mmc

1,645

false

1,308

Hf2 Mn2 Al2 C2

data_[Hf2Mn2Al2C2] 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_3mc] _cell_length_a [3.0595] _cell_length_b [3.0...

0.217764

N/A

train

original data

P6_3mc

4,295

false

3,441

Mo2 W4 C4 S2

data_[Mo2W4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 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 [3.1171] _cell_length_b [3.117...

0.794958

N/A

train

original data

P6_3/mmc

4,125

false

3,297

Cr2 Si2 W2 C2

data_[Cr2Si2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9990] _cell_length_b [2.999...

0.767083

N/A

train

original data

P6_3mc

5,337

false

4,274

V2 Cd2 W2 N2

data_[V2Cd2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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_3mc] _cell_length_a [3.0020] _cell_length_b [3.0020]...

1

N/A

train

original data

P6_3mc

3,110

false

2,486

Ti4 Si2 W4 N6

data_[Ti4Si2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3/mmc] _cell_length_a [2.9952] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

2,911

false

2,326

Sc4 Ta4 As2 C6

data_[Sc4Ta4As2C6] 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 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 [3.2400] _cell_length_b [3...

0.792398

N/A

train

original data

P6_3/mmc

1,843

false

1,469

Hf4 Zr2 Sn2 C4

data_[Hf4Zr2Sn2C4] 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 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 [3.3517] _cell_length_b [3...

0.792398

N/A

train

original data

P6_3/mmc

3,252

false

2,604

Mn2 Ga2 Mo4 C4

data_[Mn2Ga2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0150] _cell_length_b [3...

0.219501

N/A

train

original data

P6_3/mmc

4,890

false

3,914

Cr4 Si2 Mo2 N4

data_[Cr4Si2Mo2N4] 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 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 [2.8225] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

2,923

false

2,335

Tl2 V6 N4

data_[Tl2V6N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9847] _cell_length_b [2.9847] _cell_length_c [18.4909] _c...

0.257109

N/A

train

original data

P6_3/mmc

3,117

false

2,492

Ta2 Nb2 Cd2 C2

data_[Ta2Nb2Cd2C2] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1558] _cell_length_b [3.1...

0.797248

N/A

train

original data

P6_3mc

14

false

10

Ta4 Al2 Cr2 N4

data_[Ta4Al2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [2.9269] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

2,084

false

1,664

Ta4 Tl2 C2

data_[Ta4Tl2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.2099] _cell_length_b [3.2099] _cell_length_c [14.4973] ...

0.217665

N/A

train

original data

P6_3/mmc

3,717

false

2,975

Cr8 In2 N6

data_[Cr8In2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9878] _cell_length_b [2.9878] _cell_length_c [21.6256] ...

0.236842

N/A

train

original data

P6_3/mmc

3,378

false

2,709

Ta4 V4 Cd2 N6

data_[Ta4V4Cd2N6] 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_3/mmc] _cell_length_a [2.9753] _cell_length_b [2.9...

1

N/A

test

original data

P6_3/mmc

256

false

5,619

Nb4 Ga2 W4 C6

data_[Nb4Ga2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1366] _cell_length_b [3.1...

0.792398

N/A

train

original data

P6_3/mmc

962

false

767

Nb2 Ge2 W4 N4

data_[Nb2Ge2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [2.9580] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

1,215

false

961

Ti2 Mo2 As2 C2

data_[Ti2Mo2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.2034] _cell_length_b [3.2...

0.795773

N/A

train

original data

P6_3mc

1,470

false

1,163

AlB2Fe2

data_[Al2Fe4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [2.8900] _cell_length_b [10.9260] _cell_length_c [2.8623] _cel...

0.513288

N/A

null

train

synthetic, MP or NOMAD

Cmmm

228

true

4,931

K4Sc4B16H64

data_[K4Sc4B16H64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.3531] _cell_length_b [8.3053...

0.938556

N/A

null

train

synthetic, MP or NOMAD

Pnma

170

true

4,909

Nb4 V4 As2 C6

data_[Nb4V4As2C6] 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 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 [3.1294] _cell_length_b [3.1...

0.792398

N/A

train

original data

P6_3/mmc

593

false

462

Nb4 In2 Mo2 N4

data_[Nb4In2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.0113] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

5,311

false

4,254

Nb4 Ge2 Mo4 C6

data_[Nb4Ge2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [3.1509] _cell_length_b [3...

0.795676

N/A

train

original data

P6_3/mmc

2,222

false

1,768

Ta4 Ge2 Mo2 C4

data_[Ta4Ge2Mo2C4] 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 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 [3.1504] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

1,413

false

1,121

Nb2 Cr2 S2 N2

data_[Nb2Cr2S2N2] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1607] _cell_length_b [3.160...

1

N/A

train

original data

P6_3mc

547

false

423

Nb2 Si2 W4 C4

data_[Nb2Si2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 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 [3.1270] _cell_length_b [3.1...

0.797821

N/A

train

original data

P6_3/mmc

6,003

false

4,803

Hf2 Zr2 Cd2 C2

data_[Hf2Zr2Cd2C2] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3107] _cell_length_b [3.3...

0.798068

N/A

train

original data

P6_3mc

592

false

461

Al2 Mo4 W4 N6

data_[Al2Mo4W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 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 [2.8227] _cell_length_b [2.8...

1

N/A

train

original data

P6_3/mmc

2,793

false

2,231

Zr4 Mn2 Cd2 N4

data_[Zr4Mn2Cd2N4] 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 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2191] _cell_length_b [3...

0.248307

N/A

test

original data

P6_3/mmc

1,356

false

5,730

Zr2 Ti2 Pb2 N2

data_[Zr2Ti2Pb2N2] 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 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 [3.2413] _cell_length_b [3.2...

1

N/A

train

original data

P6_3mc

1,949

false

1,555

Mn2 Mo4 Pb2 C4

data_[Mn2Mo4Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.1664] _cell_length_b [3...

0.19983

N/A

train

original data

P6_3/mmc

3,155

false

2,523

V4 Cr4 Ga2 N6

data_[V4Cr4Ga2N6] 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 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 [2.9591] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

3,778

false

3,023

Ta4 Ga2 Mo4 N6

data_[Ta4Ga2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 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 [2.9126] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

4,718

false

3,780

Ta4 Mn2 Pb2 C4

data_[Ta4Mn2Pb2C4] 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 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 [3.2161] _cell_length_b [3...

0.216838

N/A

train

original data

P6_3/mmc

5,650

false

4,526

Ta4 Si2 W4 C6

data_[Ta4Si2W4C6] 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 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 [3.1640] _cell_length_b [3.1...

0.793596

N/A

train

original data

P6_3/mmc

1,410

false

1,118

Hf4 Mn2 Al2 N4

data_[Hf4Mn2Al2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1638] _cell_length_b [3...

0.307412

N/A

test

original data

P6_3/mmc

2,415

false

5,826

Sc4 Nb4 P2 N6

data_[Sc4Nb4P2N6] 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 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 [3.1682] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

1,668

false

1,325

Zr2 Sc4 In2 N4

data_[Zr2Sc4In2N4] 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 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 [3.2643] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

1,802

false

1,433

Nb2 Ge2 Mo4 C4

data_[Nb2Ge2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [3.1185] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

4,571

false

3,666

Al2 V4 C2

data_[Al2V4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9050] _cell_length_b [2.9050] _cell_length_c [13.1096] _c...

0.236842

N/A

train

original data

P6_3/mmc

375

false

302

Hf4 Ge2 W2 N4

data_[Hf4Ge2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ge 2.0100 1.2500 0.7700 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 [3.1878] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

5,777

false

4,627

Zr2 Ga2 Mo2 N2

data_[Zr2Ga2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ga 1.8100 1.3000 0.7600 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 [3.2097] _cell_length_b [3.2...

1

N/A

validation

original data

P6_3mc

1,852

false

5,150

Zr2 Ta2 Si2 N2

data_[Zr2Ta2Si2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 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 [3.2491] _cell_length_b [3.2...

1

N/A

train

original data

P6_3mc

1,438

false

1,140

Zr4 Ti2 S2 N4

data_[Zr4Ti2S2N4] 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 [3.1963] _cell_length_b [3.1...

1

N/A

validation

original data

P6_3/mmc

4,786

false

5,458

Hf4 Tl2 V2 N4

data_[Hf4Tl2V2N4] 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_3/mmc] _cell_length_a [3.2449] _cell_length_b [3.2...

1

N/A

train

original data

P6_3/mmc

4,442

false

3,560

Hf4 Zr2 Sn2 N4

data_[Hf4Zr2Sn2N4] 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 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 [3.2360] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

5,897

false

4,719

Hf2 Nb4 P2 C4

data_[Hf2Nb4P2C4] 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 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 [3.2668] _cell_length_b [3.2...

0.792398

N/A

train

original data

P6_3/mmc

4,645

false

3,722

Sr8B4N8F4

data_[Sr8B4N8F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9301] _cell_length_b [3.9371] _...

0.532623

N/A

null

train

synthetic, MP or NOMAD

Pnma

275

true

4,954

Hf2 Mn2 Ge2 N2

data_[Hf2Mn2Ge2N2] 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 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 [3.0990] _cell_length_b [3.0...

0.265542

N/A

train

original data

P6_3mc

778

false

617

Hf2 Sn2 W4 N4

data_[Hf2Sn2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 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 [3.1539] _cell_length_b [3.1...

1

N/A

test

original data

P6_3/mmc

3,079

false

5,899

V2 Cd2 W2 C2

data_[V2Cd2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 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 [3.0286] _cell_length_b [3.0286]...

0.794542

N/A

train

original data

P6_3mc

3,140

false

2,510

Ti2 V4 Cd2 C4

data_[Ti2V4Cd2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0360] _cell_length_b [3.0...

0.798068

N/A

train

original data

P6_3/mmc

3,637

false

2,910

V6 Pb2 C4

data_[V6Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0781] _cell_length_b [3.0781] _cell_length_c [18.2565] _c...

0.203569

N/A

validation

original data

P6_3/mmc

2,552

false

5,228

Ti4 Mn2 As2 C4

data_[Ti4Mn2As2C4] 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 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 [3.1319] _cell_length_b [3...

0.214125

N/A

train

original data

P6_3/mmc

2,154

false

1,716

Zr2 Nb2 Al2 N2

data_[Zr2Nb2Al2N2] 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 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1507] _cell_length_b [3.1...

1

N/A

train

original data

P6_3mc

372

false

299

Sc4 Mn4 Sn2 C6

data_[Sc4Mn4Sn2C6] 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 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 [3.1416] _cell_length_b [3...

0.202619

N/A

train

original data

P6_3/mmc

2,056

false

1,642

Hf2 Ti4 Ge2 N4

data_[Hf2Ti4Ge2N4] 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 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 [3.0964] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

5,461

false

4,373

Zr2 Ta4 Ge2 C4

data_[Zr2Ta4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 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 [3.2494] _cell_length_b [3...

0.792398

N/A

validation

original data

P6_3/mmc

4,441

false

5,417

Hf4 Al2 V4 C6

data_[Hf4Al2V4C6] 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 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 [3.1319] _cell_length_b [3.1...

0.792398

N/A

test

original data

P6_3/mmc

715

false

5,667

Hf4 Si2 Mo2 N4

data_[Hf4Si2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2054] _cell_length_b [3...

1

N/A

test

original data

P6_3/mmc

1,591

false

5,753

Zr4 Al2 V2 C4

data_[Zr4Al2V2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2126] _cell_length_b [3.2...

0.793887

N/A

validation

original data

P6_3/mmc

3,340

false

5,301

Cr6 C4 S2

data_[Cr6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.9537] _cell_length_b [2.9537] _cell_length_c [15.6610] _c...

0.170337

N/A

train

original data

P6_3/mmc

3,862

false

3,087

TiV2C2

data_[Ti3V6C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.9397] _cell_length_b [2.9397] _cell_length_c [20.7984] _cell_...

0.569147

N/A

null

train

synthetic, MP or NOMAD

R-3m

123

false

4,883

Mn2 Tl2 Mo4 N4

data_[Mn2Tl2Mo4N4] 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 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 [3.0412] _cell_length_b [3...

0.307412

N/A

train

original data

P6_3/mmc

4,554

false

3,654

Ta2 Nb4 Pb2 C4

data_[Ta2Nb4Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1953] _cell_length_b [3...

0.79462

N/A

train

original data

P6_3/mmc

3,024

false

2,414

Cr4 Sn2 N2

data_[Cr4Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [3.0570] _cell_length_b [3.0570] _cell_length_c [12.5053] ...

0.25116

N/A

train

original data

P6_3/mmc

5,673

false

4,544

V4 Mo4 P2 C6

data_[V4Mo4P2C6] 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 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 [3.0809] _cell_length_b [3.080...

0.796834

N/A

train

original data

P6_3/mmc

5,228

false

4,187

Sc4 V2 Ge2 C4

data_[Sc4V2Ge2C4] 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 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 [3.1351] _cell_length_b [3.1...

0.79605

N/A

train

original data

P6_3/mmc

5,163

false

4,137

Nb4 Mo4 S2 N6

data_[Nb4Mo4S2N6] 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 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 [3.0145] _cell_length_b [3.0...

1

N/A

train

original data

P6_3/mmc

3,080

false

2,461

Ta2 Ti2 In2 N2

data_[Ta2Ti2In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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_3mc] _cell_length_a [3.1031] _cell_length_b [3.1...

1

N/A

train

original data

P6_3mc

643

false

507

Hf4 Nb4 Si2 N6

data_[Hf4Nb4Si2N6] 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 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 [3.1556] _cell_length_b [3...

1

N/A

test

original data

P6_3/mmc

5,278

false

6,100

Cr2 Ga2 W2 C2

data_[Cr2Ga2W2C2] 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_3mc] _cell_length_a [2.9692] _cell_length_b [2.969...

0.757419

N/A

train

original data

P6_3mc

3,745

false

2,997

Ta2 Nb4 P2 C4

data_[Ta2Nb4P2C4] 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 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 [3.2064] _cell_length_b [3.2...

0.798068

N/A

train

original data

P6_3/mmc

2,819

false

2,252

Sc2 Nb2 Pb2 C2

data_[Sc2Nb2Pb2C2] 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 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2996] _cell_length_b [3.2...

0.795034

N/A

train

original data

P6_3mc

2,023

false

1,615

Sc2 Ta4 In2 C4

data_[Sc2Ta4In2C4] 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 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 [3.2128] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

5,796

false

4,640

Sc4B8Os4

data_[Sc4B8Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 B 2.0400 0.8500 0.4100 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6537] _cell_length_b [5.1838] _cell_length_c [6.1731] _cell...

0.463197

N/A

null

train

synthetic, MP or NOMAD

Pnma

198

true

4,920

Ti2 Cr2 In2 N2

data_[Ti2Cr2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1085] _cell_length_b [3.1...

1

N/A

train

original data

P6_3mc

3,187

false

2,550

Mn2 Nb2 C2 S2

data_[Mn2Nb2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3mc] _cell_length_a [3.1780] _cell_length_b [3.178...

0.202726

N/A

train

original data

P6_3mc

1,201

false

948

Zr4 Cr4 C6 S2

data_[Zr4Cr4C6S2] 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 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 [3.1624] _cell_length_b [3.1...

0.76204

N/A

train

original data

P6_3/mmc

611

false

479

Ta2 Ti2 P2 N2

data_[Ta2Ti2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 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 [3.2038] _cell_length_b [3.203...

1

N/A

train

original data

P6_3mc

896

false

714

Zr2 P2 W4 N4

data_[Zr2P2W4N4] 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 [3.1720] _cell_length_b [3.172...

1

N/A

validation

original data

P6_3/mmc

5,836

false

5,555

Sc4 Mo4 Pb2 C6

data_[Sc4Mo4Pb2C6] 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 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 [3.1839] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

3,074

false

2,458