Split (3)

train · 4.94k rows

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
Sc4 Ti2 C4 S2	data_[Sc4Ti2C4S2] 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 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 [3.2809] _cell_length_b [3.2...	0.797551	N/A	N/A	train	original data	P6_3/mmc	2,452	false	1,959
Sc2 Ta2 Al2 N2	data_[Sc2Ta2Al2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0841] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3mc	1,404	false	1,115
V4 Sn2 N2	data_[V4Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1149] _cell_length_b [3.1149] _cell_length_c [12.7690] _c...	0.307412	N/A	N/A	train	original data	P6_3/mmc	322	false	256
Ta6 Pb2 N4	data_[Ta6Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1727] _cell_length_b [3.1727] _cell_length_c [19.6846] ...	0.259691	N/A	N/A	train	original data	P6_3/mmc	2,602	false	2,075
Mn2 Nb4 Pb2 C4	data_[Mn2Nb4Pb2C4] 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 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 [3.1736] _cell_length_b [3...	0.207398	N/A	N/A	train	original data	P6_3/mmc	4,688	false	3,755
Zr6 Ga2 N4	data_[Zr6Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2446] _cell_length_b [3.2446] _cell_length_c [19.5437] ...	0.307412	N/A	N/A	train	original data	P6_3/mmc	5,893	false	4,716
V2 Pb2 W2 C2	data_[V2Pb2W2C2] 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 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 [3.1921] _cell_length_b [3.1921]...	0.792713	N/A	N/A	train	original data	P6_3mc	3,680	false	2,947
Ti2 Nb4 Al2 C4	data_[Ti2Nb4Al2C4] 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 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 [3.0962] _cell_length_b [3...	0.796241	N/A	N/A	train	original data	P6_3/mmc	480	false	379
Zr4 Mn2 In2 N4	data_[Zr4Mn2In2N4] 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 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 [3.2157] _cell_length_b [3...	0.236842	N/A	N/A	train	original data	P6_3/mmc	5,952	false	4,765
Cr2 In2 W2 N2	data_[Cr2In2W2N2] 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_3mc] _cell_length_a [3.0918] _cell_length_b [3.091...	1	N/A	N/A	train	original data	P6_3mc	2,756	false	2,204
V6 P2 C4	data_[V6P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0118] _cell_length_b [3.0118] _cell_length_c [15.8437] _cel...	0.200585	N/A	N/A	train	original data	P6_3/mmc	3,167	false	2,532
Nb4 V2 P2 C4	data_[Nb4V2P2C4] 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 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 [3.1753] _cell_length_b [3.175...	0.795092	N/A	N/A	train	original data	P6_3/mmc	2,632	false	2,100
Zr2 Sc4 C4 S2	data_[Zr2Sc4C4S2] 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 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 [3.3857] _cell_length_b [3.3...	0.792905	N/A	N/A	test	original data	P6_3/mmc	2,515	false	5,839
Mn2 Nb2 P2 N2	data_[Mn2Nb2P2N2] 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 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 [3.1055] _cell_length_b [3.105...	0.267062	N/A	N/A	train	original data	P6_3mc	5,427	false	4,345
Sc2 Nb2 Ge2 C2	data_[Sc2Nb2Ge2C2] 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 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 [3.2020] _cell_length_b [3.2...	0.792398	N/A	N/A	train	original data	P6_3mc	2,580	false	2,056
Sc4 Mn4 In2 C6	data_[Sc4Mn4In2C6] 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 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 [3.1490] _cell_length_b [3...	0.219504	N/A	N/A	test	original data	P6_3/mmc	1,228	false	5,721
Sc2 Ga2 W2 N2	data_[Sc2Ga2W2N2] 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 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 [3.0776] _cell_length_b [3.077...	1	N/A	N/A	train	original data	P6_3mc	4,080	false	3,258
Zr2 V4 In2 C4	data_[Zr2V4In2C4] 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 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 [3.1309] _cell_length_b [3.1...	0.796489	N/A	N/A	train	original data	P6_3/mmc	4,196	false	3,358
Mn2 Cd2 W4 C4	data_[Mn2Cd2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0030] _cell_length_b [3.0...	0.222964	N/A	N/A	train	original data	P6_3/mmc	3,979	false	3,180
V2 Cr4 Ge2 C4	data_[V2Cr4Ge2C4] 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 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 [2.9443] _cell_length_b [2.9...	0.764469	N/A	N/A	train	original data	P6_3/mmc	4,709	false	3,772
Hf4 Mo2 S2 N4	data_[Hf4Mo2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.4329] _cell_length_b [3.4...	1	N/A	N/A	train	original data	P6_3/mmc	5,716	false	4,578
Zr4 Sc4 Al2 C6	data_[Zr4Sc4Al2C6] 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 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 [3.3074] _cell_length_b [3...	0.798068	N/A	N/A	test	original data	P6_3/mmc	2,344	false	5,821
In2 Mo2 W4 C4	data_[In2Mo2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 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 [3.1101] _cell_length_b [3.1...	0.798068	N/A	N/A	train	original data	P6_3/mmc	180	false	145
Mo6 C4 S2	data_[Mo6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [3.1256] _cell_length_b [3.1256] _cell_length_c [17.0436] _c...	0.2142	N/A	N/A	test	original data	P6_3/mmc	5,185	false	6,090
Zr2 V2 Ge2 C2	data_[Zr2V2Ge2C2] 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 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 [3.1569] _cell_length_b [3.156...	0.798068	N/A	N/A	train	original data	P6_3mc	3	false	2
Nb2 W4 C4 S2	data_[Nb2W4C4S2] 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 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 [3.1281] _cell_length_b [3.128...	0.798068	N/A	N/A	train	original data	P6_3/mmc	2,282	false	1,817
V4 Ga2 W4 N6	data_[V4Ga2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [2.8230] _cell_length_b [2.823...	1	N/A	N/A	test	original data	P6_3/mmc	3,775	false	5,956
Nb2 Al2 W2 N2	data_[Nb2Al2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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_3mc] _cell_length_a [2.9166] _cell_length_b [2.916...	1	N/A	N/A	train	original data	P6_3mc	3,576	false	2,859
Sc4 Cr4 As2 C6	data_[Sc4Cr4As2C6] 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 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 [3.1115] _cell_length_b [3...	0.763438	N/A	N/A	train	original data	P6_3/mmc	1,179	false	932
Nb4 Cr2 Cd2 C4	data_[Nb4Cr2Cd2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1040] _cell_length_b [3...	0.765433	N/A	N/A	train	original data	P6_3/mmc	1,039	false	827
Zr2 Mn4 Ge2 N4	data_[Zr2Mn4Ge2N4] 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 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 [3.0543] _cell_length_b [3...	0.236842	N/A	N/A	train	original data	P6_3/mmc	4,346	false	3,478
Hf2 Mn2 Si2 N2	data_[Hf2Mn2Si2N2] 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 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 [3.0568] _cell_length_b [3.0...	0.236842	N/A	N/A	train	original data	P6_3mc	1,787	false	1,419
Zr4 V4 In2 C6	data_[Zr4V4In2C6] 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 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 [3.1928] _cell_length_b [3.1...	0.797899	N/A	N/A	train	original data	P6_3/mmc	78	false	62
Hf4 Tl2 Mo2 N4	data_[Hf4Tl2Mo2N4] 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 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 [3.3715] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	3,382	false	2,713
Cr2 Ga2 Mo2 N2	data_[Cr2Ga2Mo2N2] 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 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 [3.0144] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3mc	2,087	false	1,667
Sc4 V4 Cd2 N6	data_[Sc4V4Cd2N6] 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 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 [3.0423] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	1,144	false	907
Nb8 Si2 C6	data_[Nb8Si2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1805] _cell_length_b [3.1805] _cell_length_c [23.0631] ...	0.19983	N/A	N/A	validation	original data	P6_3/mmc	1,160	false	5,084
Zr2 In2 Mo4 C4	data_[Zr2In2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 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 [3.1437] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	5,452	false	4,367
Mn4 P2 W4 N6	data_[Mn4P2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9504] _cell_length_b [2.950...	0.307412	N/A	N/A	train	original data	P6_3/mmc	1,414	false	1,122
Ti4 V4 Pb2 N6	data_[Ti4V4Pb2N6] 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 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 [3.0472] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	3,482	false	2,789
Sc2 Nb2 Tl2 C2	data_[Sc2Nb2Tl2C2] 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 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2677] _cell_length_b [3.2...	0.797905	N/A	N/A	validation	original data	P6_3mc	3,178	false	5,281
Zr2 Cr4 S2 N4	data_[Zr2Cr4S2N4] 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 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 [3.1910] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	600	false	468
V4 Mo2 Pb2 N4	data_[V4Mo2Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1846] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	1,716	false	1,362

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