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
Hf2 V2 Sn2 C2	data_[Hf2V2Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2461] _cell_length_b [3.246...	0.79634	N/A	N/A	train	original data	P6_3mc	4,724	false	3,785
Ta4 Mn2 Si2 C4	data_[Ta4Mn2Si2C4] 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 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 [3.1753] _cell_length_b [3...	0.19983	N/A	N/A	train	original data	P6_3/mmc	5,645	false	4,521
Ta4 Ge2 Mo4 N6	data_[Ta4Ge2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1136] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	801	false	635
Hf4 Mn2 Ge2 C4	data_[Hf4Mn2Ge2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2143] _cell_length_b [3...	0.2173	N/A	N/A	train	original data	P6_3/mmc	4,706	false	3,770
Zr2 Mo2 Pb2 N2	data_[Zr2Mo2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3815] _cell_length_b [3.3...	1	N/A	N/A	validation	original data	P6_3mc	2,381	false	5,209
Hf8 S2 N6	data_[Hf8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2521] _cell_length_b [3.2521] _cell_length_c [22.5786] _c...	0.285021	N/A	N/A	train	original data	P6_3/mmc	4,212	false	3,372
Zr2 Sc4 Sn2 C4	data_[Zr2Sc4Sn2C4] 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 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 [3.3449] _cell_length_b [3...	0.79462	N/A	N/A	test	original data	P6_3/mmc	485	false	5,644
Ti4 Nb2 Si2 C4	data_[Ti4Nb2Si2C4] 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 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 [3.1109] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	2,951	false	2,357
Cr4 Cd2 Mo2 N4	data_[Cr4Cd2Mo2N4] 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 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 [3.0425] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	2,176	false	1,734
Ta4 Cr2 In2 C4	data_[Ta4Cr2In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [3.1062] _cell_length_b [3...	0.757524	N/A	N/A	test	original data	P6_3/mmc	4,580	false	6,028
Cd2 Mo6 N4	data_[Cd2Mo6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [2.8591] _cell_length_b [2.8591] _cell_length_c [21.4118] ...	0.242993	N/A	N/A	train	original data	P6_3/mmc	3,389	false	2,719
Nb6 C4 S2	data_[Nb6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1890] _cell_length_b [3.1890] _cell_length_c [17.3226] _c...	0.209937	N/A	N/A	train	original data	P6_3/mmc	5,849	false	4,681
Sc4 P2 C2	data_[Sc4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.3466] _cell_length_b [3.3466] _cell_length_c [12.7772] _c...	0.19983	N/A	N/A	train	original data	P6_3/mmc	4,953	false	3,962
Ti2 Nb4 C4 S2	data_[Ti2Nb4C4S2] 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 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 [3.1713] _cell_length_b [3.1...	0.798068	N/A	N/A	train	original data	P6_3/mmc	5,885	false	4,710
Hf2 Zr2 Si2 N2	data_[Hf2Zr2Si2N2] 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 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 [3.2344] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3mc	3,687	false	2,953
Nb2 Tl2 Cr4 C4	data_[Nb2Tl2Cr4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1202] _cell_length_b [3...	0.755117	N/A	N/A	test	original data	P6_3/mmc	2,820	false	5,871
Hf2 Cr2 P2 C2	data_[Hf2Cr2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2042] _cell_length_b [3.204...	0.755117	N/A	N/A	train	original data	P6_3mc	3,715	false	2,973
V4 As2 W4 N6	data_[V4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 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 [2.9179] _cell_length_b [2.917...	1	N/A	N/A	train	original data	P6_3/mmc	2,161	false	1,723
B6CaNi12	data_[Ca3Ni36B18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.4488] _cell_length_b [9.4488] _cell_length_c [7.3256] _ce...	0.456631	N/A	null	train	synthetic, MP or NOMAD	R-3m	221	true	4,928
Ta2 Al2 V4 N4	data_[Ta2Al2V4N4] 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 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 [2.9827] _cell_length_b [2.9...	1	N/A	N/A	test	original data	P6_3/mmc	3,636	false	5,940
Mn4 V4 In2 C6	data_[Mn4V4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9628] _cell_length_b [2.9...	0.212162	N/A	N/A	train	original data	P6_3/mmc	1,043	false	831
Sc8 As2 C6	data_[Sc8As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3070] _cell_length_b [3.3070] _cell_length_c [24.6164] ...	0.19983	N/A	N/A	train	original data	P6_3/mmc	3,087	false	2,467
Hf4 Cr2 Ga2 N4	data_[Hf4Cr2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1684] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	4,892	false	3,916
Hf2 Nb2 In2 C2	data_[Hf2Nb2In2C2] 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 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2266] _cell_length_b [3.2...	0.798068	N/A	N/A	train	original data	P6_3mc	4,590	false	3,682
V4 Cr2 Ge2 N4	data_[V4Cr2Ge2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9239] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	3,997	false	3,193
Sc4 Cd2 W4 C6	data_[Sc4Cd2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1381] _cell_length_b [3.1...	0.792398	N/A	N/A	train	original data	P6_3/mmc	1,905	false	1,517
Sc2 Al2 Cr2 C2	data_[Sc2Al2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0332] _cell_length_b [3.0...	0.755117	N/A	N/A	train	original data	P6_3mc	4,376	false	3,506
Sc4 Mo2 Pb2 C4	data_[Sc4Mo2Pb2C4] 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 [3.2590] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	4,298	false	3,444
Sc4 Nb4 As2 N6	data_[Sc4Nb4As2N6] 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 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1873] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	5,290	false	4,236
Ta2 Ti2 Tl2 C2	data_[Ta2Ti2Tl2C2] 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 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 [3.1578] _cell_length_b [3.1...	0.796088	N/A	N/A	train	original data	P6_3mc	3,577	false	2,860
Ti4 Nb4 As2 C6	data_[Ti4Nb4As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1873] _cell_length_b [3...	0.79254	N/A	N/A	train	original data	P6_3/mmc	1,312	false	1,041
Al2 Cr4 C2	data_[Al2Cr4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8398] _cell_length_b [2.8398] _cell_length_c [12.6962] ...	0.178311	N/A	N/A	train	original data	P6_3/mmc	1,006	false	805
Al2 Cr2 Mo2 N2	data_[Al2Cr2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9706] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3mc	3,121	false	2,496
Nb3Fe3B3	data_[Nb6Fe6B6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.1715] _cell_length_b [10.4155] _cell_length_c [6.0134] _cel...	0.521173	N/A	null	train	synthetic, MP or NOMAD	P-62m	16	true	4,818
Nb4 Al2 W4 N6	data_[Nb4Al2W4N6] 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_3/mmc] _cell_length_a [2.9069] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	3,338	false	2,674
Zr2 In2 W2 C2	data_[Zr2In2W2C2] 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 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 [3.2199] _cell_length_b [3.219...	0.798068	N/A	N/A	train	original data	P6_3mc	1,368	false	1,085
Sc2 Al2 Cr2 N2	data_[Sc2Al2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.0330] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3mc	1,653	false	1,315
Sc2 Nb2 Sn2 C2	data_[Sc2Nb2Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2609] _cell_length_b [3.2...	0.792687	N/A	N/A	train	original data	P6_3mc	1,684	false	1,335
Zr6 In2 C4	data_[Zr6In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3656] _cell_length_b [3.3656] _cell_length_c [20.4660] ...	0.208661	N/A	N/A	validation	original data	P6_3/mmc	2,825	false	5,249
Ta6 P2 N4	data_[Ta6P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1947] _cell_length_b [3.1947] _cell_length_c [16.8082] _c...	0.307412	N/A	N/A	test	original data	P6_3/mmc	5,921	false	6,171
B14Mn2Y6	data_[Y12Mn4B28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mn 1.5500 1.4000 0.6483 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.4421] _cell_length_b [15.7521] _cell_length_c [9.3254] _cel...	0.491073	N/A	null	train	synthetic, MP or NOMAD	Cmcm	250	true	4,938
In2 Mo2 W2 N2	data_[In2Mo2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9422] _cell_length_b [2.942...	1	N/A	N/A	train	original data	P6_3mc	3,724	false	2,980
Ta2 In2 W4 N4	data_[Ta2In2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9264] _cell_length_b [2.9...	0.997076	N/A	N/A	train	original data	P6_3/mmc	4,579	false	3,673
Ta2 Cr2 Ge2 C2	data_[Ta2Cr2Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1017] _cell_length_b [3.1...	0.755117	N/A	N/A	train	original data	P6_3mc	1,675	false	1,328
Ti2 Mn2 Ga2 N2	data_[Ti2Mn2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9816] _cell_length_b [2.9...	0.301082	N/A	N/A	train	original data	P6_3mc	1,809	false	1,440
V2 Cr4 Pb2 N4	data_[V2Cr4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0978] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	1,263	false	1,000
Ta2 Ti2 P2 C2	data_[Ta2Ti2P2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2370] _cell_length_b [3.237...	0.792398	N/A	N/A	test	original data	P6_3mc	2,382	false	5,824
Sc2 Cd2 Mo2 C2	data_[Sc2Cd2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1356] _cell_length_b [3.1...	0.795314	N/A	N/A	train	original data	P6_3mc	958	false	763
Sc4 Tl2 Mo4 N6	data_[Sc4Tl2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0866] _cell_length_b [3...	1	N/A	N/A	test	original data	P6_3/mmc	1,727	false	5,769
Zr4 In2 N2	data_[Zr4In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3011] _cell_length_b [3.3011] _cell_length_c [14.9727] ...	0.236842	N/A	N/A	train	original data	P6_3/mmc	5,241	false	4,199
Nb8 Cd2 C6	data_[Nb8Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_3/mmc] _cell_length_a [3.1555] _cell_length_b [3.1555] _cell_length_c [25.2024] ...	0.20394	N/A	N/A	train	original data	P6_3/mmc	2,454	false	1,961
Nb4 Si2 C2	data_[Nb4Si2C2] 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 [3.2200] _cell_length_b [3.2200] _cell_length_c [12.4287] ...	0.19983	N/A	N/A	train	original data	P6_3/mmc	889	false	709
Nb6 Al2 C4	data_[Nb6Al2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1203] _cell_length_b [3.1203] _cell_length_c [19.2102] ...	0.19983	N/A	N/A	train	original data	P6_3/mmc	4,322	false	3,461
Mn4 Sn2 Mo2 N4	data_[Mn4Sn2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 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 [3.1157] _cell_length_b [3...	0.236842	N/A	N/A	train	original data	P6_3/mmc	819	false	647
Ti4 V2 Pb2 N4	data_[Ti4V2Pb2N4] 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 [3.1389] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	173	false	139
Nb2 V4 P2 N4	data_[Nb2V4P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0630] _cell_length_b [3.063...	1	N/A	N/A	test	original data	P6_3/mmc	2,569	false	5,844
Cr2 Mo2 P2 N2	data_[Cr2Mo2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9277] _cell_length_b [2.927...	1	N/A	N/A	train	original data	P6_3mc	5,190	false	4,156
Nb2 In2 Mo2 N2	data_[Nb2In2Mo2N2] 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_3mc] _cell_length_a [3.2108] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3mc	1,247	false	985
Sc2 Ta4 As2 N4	data_[Sc2Ta4As2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1645] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	5,731	false	4,591
Hf2 As2 W2 C2	data_[Hf2As2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 As 2.1800 1.1500 0.6600 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 [3.3345] _cell_length_b [3.334...	0.792486	N/A	N/A	validation	original data	P6_3mc	517	false	5,014
Al2 Mo2 W2 C2	data_[Al2Mo2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0153] _cell_length_b [3.015...	0.792398	N/A	N/A	test	original data	P6_3mc	3,886	false	5,967
Ti2 Mn4 Pb2 C4	data_[Ti2Mn4Pb2C4] 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 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 [3.1062] _cell_length_b [3...	0.20167	N/A	N/A	train	original data	P6_3/mmc	5,584	false	4,472
Zr4 As2 C2	data_[Zr4As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.4685] _cell_length_b [3.4685] _cell_length_c [12.6651] ...	0.220295	N/A	N/A	train	original data	P6_3/mmc	4,958	false	3,967
Zr2 Sc2 Cd2 C2	data_[Zr2Sc2Cd2C2] 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 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 [3.3240] _cell_length_b [3.3...	0.798068	N/A	N/A	train	original data	P6_3mc	1,460	false	1,156
Ta4 V2 In2 C4	data_[Ta4V2In2C4] 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 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 [3.0959] _cell_length_b [3.0...	0.792479	N/A	N/A	train	original data	P6_3/mmc	2,683	false	2,143
Sc2 Ta2 Cd2 C2	data_[Sc2Ta2Cd2C2] 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 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 [3.1971] _cell_length_b [3.1...	0.798068	N/A	N/A	train	original data	P6_3mc	2,258	false	1,795
Hf4 Cd2 W4 C6	data_[Hf4Cd2W4C6] 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 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 [3.1665] _cell_length_b [3.1...	0.793966	N/A	N/A	train	original data	P6_3/mmc	3,824	false	3,058
Nb4 Cr2 P2 C4	data_[Nb4Cr2P2C4] 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 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 [3.1797] _cell_length_b [3.1...	0.774854	N/A	N/A	train	original data	P6_3/mmc	1,208	false	955
Ta4 Nb2 Cd2 N4	data_[Ta4Nb2Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0932] _cell_length_b [3...	0.991012	N/A	N/A	train	original data	P6_3/mmc	4,320	false	3,460
Ti2 Tl2 W4 C4	data_[Ti2Tl2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 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 [3.0395] _cell_length_b [3.0...	0.795972	N/A	N/A	train	original data	P6_3/mmc	5,585	false	4,473
Sc8 Sn2 C6	data_[Sc8Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3215] _cell_length_b [3.3215] _cell_length_c [26.1603] ...	0.211619	N/A	N/A	train	original data	P6_3/mmc	3,938	false	3,146
Nb8 Pb2 C6	data_[Nb8Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1965] _cell_length_b [3.1965] _cell_length_c [25.1156] ...	0.223101	N/A	N/A	train	original data	P6_3/mmc	5,494	false	4,401
Sc2 Al2 V4 N4	data_[Sc2Al2V4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 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 [2.9315] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	5,828	false	4,664
Ti4 Tl2 V2 N4	data_[Ti4Tl2V2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0924] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	765	false	607
Hf2 Sc2 Tl2 N2	data_[Hf2Sc2Tl2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2862] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3mc	534	false	413
Hf4 Sc4 Si2 C6	data_[Hf4Sc4Si2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 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 [3.3085] _cell_length_b [3...	0.793399	N/A	N/A	train	original data	P6_3/mmc	4,262	false	3,414
Nb2 Cd2 Mo2 N2	data_[Nb2Cd2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 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 [3.1259] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3mc	944	false	752
Hf2 Nb4 Si2 C4	data_[Hf2Nb4Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2097] _cell_length_b [3...	0.794179	N/A	N/A	train	original data	P6_3/mmc	5,073	false	4,062
Cr4 Cd2 W2 C4	data_[Cr4Cd2W2C4] 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 [2.9839] _cell_length_b [2.9...	0.758394	N/A	N/A	train	original data	P6_3/mmc	2,687	false	2,147
Zr2 Sc2 Ga2 N2	data_[Zr2Sc2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2403] _cell_length_b [3.2...	1	N/A	N/A	train	original data	P6_3mc	650	false	513
Sc4 In2 W2 N4	data_[Sc4In2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 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 [3.1945] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3/mmc	1,856	false	1,476
Sc2 Nb2 Si2 N2	data_[Sc2Nb2Si2N2] 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 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 [3.1111] _cell_length_b [3.1...	1	N/A	N/A	train	original data	P6_3mc	5,623	false	4,502
Sc2 Nb4 P2 C4	data_[Sc2Nb4P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2615] _cell_length_b [3.2...	0.793386	N/A	N/A	train	original data	P6_3/mmc	2,747	false	2,197
Ge2 Mo4 W2 N4	data_[Ge2Mo4W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 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 [2.8583] _cell_length_b [2.8...	1	N/A	N/A	train	original data	P6_3/mmc	5,534	false	4,436
Nb4 Tl2 W2 N4	data_[Nb4Tl2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [2.9977] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	4,651	false	3,727
Mn2 Tl2 W4 C4	data_[Mn2Tl2W4C4] 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 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 [3.1004] _cell_length_b [3.1...	0.224104	N/A	N/A	train	original data	P6_3/mmc	2,137	false	1,704
Ti2 Mn2 Tl2 N2	data_[Ti2Mn2Tl2N2] 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 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1504] _cell_length_b [3.1...	0.253894	N/A	N/A	train	original data	P6_3mc	4,854	false	3,886
Zr2 Sc2 As2 C2	data_[Zr2Sc2As2C2] 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 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 [3.4354] _cell_length_b [3.4...	0.798068	N/A	N/A	train	original data	P6_3mc	2,855	false	2,281
Ti4 Mn2 Si2 N4	data_[Ti4Mn2Si2N4] 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 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 [3.0120] _cell_length_b [3...	0.297487	N/A	N/A	train	original data	P6_3/mmc	2,931	false	2,340
Hf4 Ti2 Pb2 C4	data_[Hf4Ti2Pb2C4] 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 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 [3.2929] _cell_length_b [3...	0.792398	N/A	N/A	train	original data	P6_3/mmc	243	false	194
Ta2 Mn4 Pb2 N4	data_[Ta2Mn4Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2046] _cell_length_b [3...	0.236842	N/A	N/A	train	original data	P6_3/mmc	4,114	false	3,288
B6Ir12Zn12	data_[Zn24B12Ir24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.8228] _cell_length_b [26.5289] _cell_length_c [10.1908] ...	0.492221	N/A	null	train	synthetic, MP or NOMAD	Cmcm	150	true	4,901
Mn4 Ge2 Mo4 N6	data_[Mn4Ge2Mo4N6] 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 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 [2.9137] _cell_length_b [2...	0.273501	N/A	N/A	train	original data	P6_3/mmc	572	false	445
Sc4 Tl2 Cr2 N4	data_[Sc4Tl2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1372] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	2,525	false	2,013
Cr4 Si2 Mo4 N6	data_[Cr4Si2Mo4N6] 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 [2.8245] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	4,250	false	3,404
Sc4 Mn4 Ge2 N6	data_[Sc4Mn4Ge2N6] 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 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 [3.0450] _cell_length_b [3...	0.293231	N/A	N/A	train	original data	P6_3/mmc	1,622	false	1,290
Zr6 Sn2 C4	data_[Zr6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.3734] _cell_length_b [3.3734] _cell_length_c [20.0743] ...	0.215773	N/A	N/A	train	original data	P6_3/mmc	1,234	false	976
Sc4 Ge2 N2	data_[Sc4Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2284] _cell_length_b [3.2284] _cell_length_c [13.6209] ...	0.236842	N/A	N/A	train	original data	P6_3/mmc	2,152	false	1,715
Mn2 Cr4 Si2 N4	data_[Mn2Cr4Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 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 [2.7671] _cell_length_b [2...	0.248008	N/A	N/A	train	original data	P6_3/mmc	1,609	false	1,279
Mn4 Cr4 In2 N6	data_[Mn4Cr4In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 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 [2.9637] _cell_length_b [2...	0.250562	N/A	N/A	train	original data	P6_3/mmc	3,800	false	3,041

Hf2 V2 Sn2 C2

data_[Hf2V2Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2461] _cell_length_b [3.246...

0.79634

N/A

train

original data

P6_3mc

4,724

false

3,785

Ta4 Mn2 Si2 C4

data_[Ta4Mn2Si2C4] 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 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 [3.1753] _cell_length_b [3...

0.19983

N/A

train

original data

P6_3/mmc

5,645

false

4,521

Ta4 Ge2 Mo4 N6

data_[Ta4Ge2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1136] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

801

false

635

Hf4 Mn2 Ge2 C4

data_[Hf4Mn2Ge2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2143] _cell_length_b [3...

0.2173

N/A

train

original data

P6_3/mmc

4,706

false

3,770

Zr2 Mo2 Pb2 N2

data_[Zr2Mo2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3815] _cell_length_b [3.3...

1

N/A

validation

original data

P6_3mc

2,381

false

5,209

Hf8 S2 N6

data_[Hf8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2521] _cell_length_b [3.2521] _cell_length_c [22.5786] _c...

0.285021

N/A

train

original data

P6_3/mmc

4,212

false

3,372

Zr2 Sc4 Sn2 C4

data_[Zr2Sc4Sn2C4] 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 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 [3.3449] _cell_length_b [3...

0.79462

N/A

test

original data

P6_3/mmc

485

false

5,644

Ti4 Nb2 Si2 C4

data_[Ti4Nb2Si2C4] 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 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 [3.1109] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

2,951

false

2,357

Cr4 Cd2 Mo2 N4

data_[Cr4Cd2Mo2N4] 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 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 [3.0425] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

2,176

false

1,734

Ta4 Cr2 In2 C4

data_[Ta4Cr2In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [3.1062] _cell_length_b [3...

0.757524

N/A

test

original data

P6_3/mmc

4,580

false

6,028

Cd2 Mo6 N4

data_[Cd2Mo6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [2.8591] _cell_length_b [2.8591] _cell_length_c [21.4118] ...

0.242993

N/A

train

original data

P6_3/mmc

3,389

false

2,719

Nb6 C4 S2

data_[Nb6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1890] _cell_length_b [3.1890] _cell_length_c [17.3226] _c...

0.209937

N/A

train

original data

P6_3/mmc

5,849

false

4,681

Sc4 P2 C2

data_[Sc4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.3466] _cell_length_b [3.3466] _cell_length_c [12.7772] _c...

0.19983

N/A

train

original data

P6_3/mmc

4,953

false

3,962

Ti2 Nb4 C4 S2

data_[Ti2Nb4C4S2] 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 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 [3.1713] _cell_length_b [3.1...

0.798068

N/A

train

original data

P6_3/mmc

5,885

false

4,710

Hf2 Zr2 Si2 N2

data_[Hf2Zr2Si2N2] 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 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 [3.2344] _cell_length_b [3.2...

1

N/A

train

original data

P6_3mc

3,687

false

2,953

Nb2 Tl2 Cr4 C4

data_[Nb2Tl2Cr4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1202] _cell_length_b [3...

0.755117

N/A

test

original data

P6_3/mmc

2,820

false

5,871

Hf2 Cr2 P2 C2

data_[Hf2Cr2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2042] _cell_length_b [3.204...

0.755117

N/A

train

original data

P6_3mc

3,715

false

2,973

V4 As2 W4 N6

data_[V4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 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 [2.9179] _cell_length_b [2.917...

1

N/A

train

original data

P6_3/mmc

2,161

false

1,723

B6CaNi12

data_[Ca3Ni36B18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.4488] _cell_length_b [9.4488] _cell_length_c [7.3256] _ce...

0.456631

N/A

null

train

synthetic, MP or NOMAD

R-3m

221

true

4,928

Ta2 Al2 V4 N4

data_[Ta2Al2V4N4] 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 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 [2.9827] _cell_length_b [2.9...

1

N/A

test

original data

P6_3/mmc

3,636

false

5,940

Mn4 V4 In2 C6

data_[Mn4V4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9628] _cell_length_b [2.9...

0.212162

N/A

train

original data

P6_3/mmc

1,043

false

831

Sc8 As2 C6

data_[Sc8As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3070] _cell_length_b [3.3070] _cell_length_c [24.6164] ...

0.19983

N/A

train

original data

P6_3/mmc

3,087

false

2,467

Hf4 Cr2 Ga2 N4

data_[Hf4Cr2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1684] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

4,892

false

3,916

Hf2 Nb2 In2 C2

data_[Hf2Nb2In2C2] 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 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2266] _cell_length_b [3.2...

0.798068

N/A

train

original data

P6_3mc

4,590

false

3,682

V4 Cr2 Ge2 N4

data_[V4Cr2Ge2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9239] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

3,997

false

3,193

Sc4 Cd2 W4 C6

data_[Sc4Cd2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1381] _cell_length_b [3.1...

0.792398

N/A

train

original data

P6_3/mmc

1,905

false

1,517

Sc2 Al2 Cr2 C2

data_[Sc2Al2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0332] _cell_length_b [3.0...

0.755117

N/A

train

original data

P6_3mc

4,376

false

3,506

Sc4 Mo2 Pb2 C4

data_[Sc4Mo2Pb2C4] 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 [3.2590] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

4,298

false

3,444

Sc4 Nb4 As2 N6

data_[Sc4Nb4As2N6] 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 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1873] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

5,290

false

4,236

Ta2 Ti2 Tl2 C2

data_[Ta2Ti2Tl2C2] 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 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 [3.1578] _cell_length_b [3.1...

0.796088

N/A

train

original data

P6_3mc

3,577

false

2,860

Ti4 Nb4 As2 C6

data_[Ti4Nb4As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1873] _cell_length_b [3...

0.79254

N/A

train

original data

P6_3/mmc

1,312

false

1,041

Al2 Cr4 C2

data_[Al2Cr4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8398] _cell_length_b [2.8398] _cell_length_c [12.6962] ...

0.178311

N/A

train

original data

P6_3/mmc

1,006

false

805

Al2 Cr2 Mo2 N2

data_[Al2Cr2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9706] _cell_length_b [2.9...

1

N/A

train

original data

P6_3mc

3,121

false

2,496

Nb3Fe3B3

data_[Nb6Fe6B6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.1715] _cell_length_b [10.4155] _cell_length_c [6.0134] _cel...

0.521173

N/A

null

train

synthetic, MP or NOMAD

P-62m

16

true

4,818

Nb4 Al2 W4 N6

data_[Nb4Al2W4N6] 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_3/mmc] _cell_length_a [2.9069] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

3,338

false

2,674

Zr2 In2 W2 C2

data_[Zr2In2W2C2] 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 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 [3.2199] _cell_length_b [3.219...

0.798068

N/A

train

original data

P6_3mc

1,368

false

1,085

Sc2 Al2 Cr2 N2

data_[Sc2Al2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.0330] _cell_length_b [3.0...

1

N/A

train

original data

P6_3mc

1,653

false

1,315

Sc2 Nb2 Sn2 C2

data_[Sc2Nb2Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2609] _cell_length_b [3.2...

0.792687

N/A

train

original data

P6_3mc

1,684

false

1,335

Zr6 In2 C4

data_[Zr6In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3656] _cell_length_b [3.3656] _cell_length_c [20.4660] ...

0.208661

N/A

validation

original data

P6_3/mmc

2,825

false

5,249

Ta6 P2 N4

data_[Ta6P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1947] _cell_length_b [3.1947] _cell_length_c [16.8082] _c...

0.307412

N/A

test

original data

P6_3/mmc

5,921

false

6,171

B14Mn2Y6

data_[Y12Mn4B28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mn 1.5500 1.4000 0.6483 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.4421] _cell_length_b [15.7521] _cell_length_c [9.3254] _cel...

0.491073

N/A

null

train

synthetic, MP or NOMAD

Cmcm

250

true

4,938

In2 Mo2 W2 N2

data_[In2Mo2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9422] _cell_length_b [2.942...

1

N/A

train

original data

P6_3mc

3,724

false

2,980

Ta2 In2 W4 N4

data_[Ta2In2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9264] _cell_length_b [2.9...

0.997076

N/A

train

original data

P6_3/mmc

4,579

false

3,673

Ta2 Cr2 Ge2 C2

data_[Ta2Cr2Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1017] _cell_length_b [3.1...

0.755117

N/A

train

original data

P6_3mc

1,675

false

1,328

Ti2 Mn2 Ga2 N2

data_[Ti2Mn2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9816] _cell_length_b [2.9...

0.301082

N/A

train

original data

P6_3mc

1,809

false

1,440

V2 Cr4 Pb2 N4

data_[V2Cr4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0978] _cell_length_b [3.0...

1

N/A

train

original data

P6_3/mmc

1,263

false

1,000

Ta2 Ti2 P2 C2

data_[Ta2Ti2P2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2370] _cell_length_b [3.237...

0.792398

N/A

test

original data

P6_3mc

2,382

false

5,824

Sc2 Cd2 Mo2 C2

data_[Sc2Cd2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1356] _cell_length_b [3.1...

0.795314

N/A

train

original data

P6_3mc

958

false

763

Sc4 Tl2 Mo4 N6

data_[Sc4Tl2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0866] _cell_length_b [3...

1

N/A

test

original data

P6_3/mmc

1,727

false

5,769

Zr4 In2 N2

data_[Zr4In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3011] _cell_length_b [3.3011] _cell_length_c [14.9727] ...

0.236842

N/A

train

original data

P6_3/mmc

5,241

false

4,199

Nb8 Cd2 C6

data_[Nb8Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_3/mmc] _cell_length_a [3.1555] _cell_length_b [3.1555] _cell_length_c [25.2024] ...

0.20394

N/A

train

original data

P6_3/mmc

2,454

false

1,961

Nb4 Si2 C2

data_[Nb4Si2C2] 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 [3.2200] _cell_length_b [3.2200] _cell_length_c [12.4287] ...

0.19983

N/A

train

original data

P6_3/mmc

889

false

709

Nb6 Al2 C4

data_[Nb6Al2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1203] _cell_length_b [3.1203] _cell_length_c [19.2102] ...

0.19983

N/A

train

original data

P6_3/mmc

4,322

false

3,461

Mn4 Sn2 Mo2 N4

data_[Mn4Sn2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 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 [3.1157] _cell_length_b [3...

0.236842

N/A

train

original data

P6_3/mmc

819

false

647

Ti4 V2 Pb2 N4

data_[Ti4V2Pb2N4] 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 [3.1389] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

173

false

139

Nb2 V4 P2 N4

data_[Nb2V4P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0630] _cell_length_b [3.063...

1

N/A

test

original data

P6_3/mmc

2,569

false

5,844

Cr2 Mo2 P2 N2

data_[Cr2Mo2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9277] _cell_length_b [2.927...

1

N/A

train

original data

P6_3mc

5,190

false

4,156

Nb2 In2 Mo2 N2

data_[Nb2In2Mo2N2] 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_3mc] _cell_length_a [3.2108] _cell_length_b [3.2...

1

N/A

train

original data

P6_3mc

1,247

false

985

Sc2 Ta4 As2 N4

data_[Sc2Ta4As2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1645] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

5,731

false

4,591

Hf2 As2 W2 C2

data_[Hf2As2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 As 2.1800 1.1500 0.6600 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 [3.3345] _cell_length_b [3.334...

0.792486

N/A

validation

original data

P6_3mc

517

false

5,014

Al2 Mo2 W2 C2

data_[Al2Mo2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0153] _cell_length_b [3.015...

0.792398

N/A

test

original data

P6_3mc

3,886

false

5,967

Ti2 Mn4 Pb2 C4

data_[Ti2Mn4Pb2C4] 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 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 [3.1062] _cell_length_b [3...

0.20167

N/A

train

original data

P6_3/mmc

5,584

false

4,472

Zr4 As2 C2

data_[Zr4As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.4685] _cell_length_b [3.4685] _cell_length_c [12.6651] ...

0.220295

N/A

train

original data

P6_3/mmc

4,958

false

3,967

Zr2 Sc2 Cd2 C2

data_[Zr2Sc2Cd2C2] 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 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 [3.3240] _cell_length_b [3.3...

0.798068

N/A

train

original data

P6_3mc

1,460

false

1,156

Ta4 V2 In2 C4

data_[Ta4V2In2C4] 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 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 [3.0959] _cell_length_b [3.0...

0.792479

N/A

train

original data

P6_3/mmc

2,683

false

2,143

Sc2 Ta2 Cd2 C2

data_[Sc2Ta2Cd2C2] 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 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 [3.1971] _cell_length_b [3.1...

0.798068

N/A

train

original data

P6_3mc

2,258

false

1,795

Hf4 Cd2 W4 C6

data_[Hf4Cd2W4C6] 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 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 [3.1665] _cell_length_b [3.1...

0.793966

N/A

train

original data

P6_3/mmc

3,824

false

3,058

Nb4 Cr2 P2 C4

data_[Nb4Cr2P2C4] 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 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 [3.1797] _cell_length_b [3.1...

0.774854

N/A

train

original data

P6_3/mmc

1,208

false

955

Ta4 Nb2 Cd2 N4

data_[Ta4Nb2Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0932] _cell_length_b [3...

0.991012

N/A

train

original data

P6_3/mmc

4,320

false

3,460

Ti2 Tl2 W4 C4

data_[Ti2Tl2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 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 [3.0395] _cell_length_b [3.0...

0.795972

N/A

train

original data

P6_3/mmc

5,585

false

4,473

Sc8 Sn2 C6

data_[Sc8Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3215] _cell_length_b [3.3215] _cell_length_c [26.1603] ...

0.211619

N/A

train

original data

P6_3/mmc

3,938

false

3,146

Nb8 Pb2 C6

data_[Nb8Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1965] _cell_length_b [3.1965] _cell_length_c [25.1156] ...

0.223101

N/A

train

original data

P6_3/mmc

5,494

false

4,401

Sc2 Al2 V4 N4

data_[Sc2Al2V4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 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 [2.9315] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

5,828

false

4,664

Ti4 Tl2 V2 N4

data_[Ti4Tl2V2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0924] _cell_length_b [3.0...

1

N/A

train

original data

P6_3/mmc

765

false

607

Hf2 Sc2 Tl2 N2

data_[Hf2Sc2Tl2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2862] _cell_length_b [3.2...

1

N/A

train

original data

P6_3mc

534

false

413

Hf4 Sc4 Si2 C6

data_[Hf4Sc4Si2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 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 [3.3085] _cell_length_b [3...

0.793399

N/A

train

original data

P6_3/mmc

4,262

false

3,414

Nb2 Cd2 Mo2 N2

data_[Nb2Cd2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 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 [3.1259] _cell_length_b [3.1...

1

N/A

train

original data

P6_3mc

944

false

752

Hf2 Nb4 Si2 C4

data_[Hf2Nb4Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2097] _cell_length_b [3...

0.794179

N/A

train

original data

P6_3/mmc

5,073

false

4,062

Cr4 Cd2 W2 C4

data_[Cr4Cd2W2C4] 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 [2.9839] _cell_length_b [2.9...

0.758394

N/A

train

original data

P6_3/mmc

2,687

false

2,147

Zr2 Sc2 Ga2 N2

data_[Zr2Sc2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2403] _cell_length_b [3.2...

1

N/A

train

original data

P6_3mc

650

false

513

Sc4 In2 W2 N4

data_[Sc4In2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 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 [3.1945] _cell_length_b [3.1...

1

N/A

train

original data

P6_3/mmc

1,856

false

1,476

Sc2 Nb2 Si2 N2

data_[Sc2Nb2Si2N2] 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 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 [3.1111] _cell_length_b [3.1...

1

N/A

train

original data

P6_3mc

5,623

false

4,502

Sc2 Nb4 P2 C4

data_[Sc2Nb4P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2615] _cell_length_b [3.2...

0.793386

N/A

train

original data

P6_3/mmc

2,747

false

2,197

Ge2 Mo4 W2 N4

data_[Ge2Mo4W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 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 [2.8583] _cell_length_b [2.8...

1

N/A

train

original data

P6_3/mmc

5,534

false

4,436

Nb4 Tl2 W2 N4

data_[Nb4Tl2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [2.9977] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

4,651

false

3,727

Mn2 Tl2 W4 C4

data_[Mn2Tl2W4C4] 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 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 [3.1004] _cell_length_b [3.1...

0.224104

N/A

train

original data

P6_3/mmc

2,137

false

1,704

Ti2 Mn2 Tl2 N2

data_[Ti2Mn2Tl2N2] 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 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1504] _cell_length_b [3.1...

0.253894

N/A

train

original data

P6_3mc

4,854

false

3,886

Zr2 Sc2 As2 C2

data_[Zr2Sc2As2C2] 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 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 [3.4354] _cell_length_b [3.4...

0.798068

N/A

train

original data

P6_3mc

2,855

false

2,281

Ti4 Mn2 Si2 N4

data_[Ti4Mn2Si2N4] 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 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 [3.0120] _cell_length_b [3...

0.297487

N/A

train

original data

P6_3/mmc

2,931

false

2,340

Hf4 Ti2 Pb2 C4

data_[Hf4Ti2Pb2C4] 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 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 [3.2929] _cell_length_b [3...

0.792398

N/A

train

original data

P6_3/mmc

243

false

194

Ta2 Mn4 Pb2 N4

data_[Ta2Mn4Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2046] _cell_length_b [3...

0.236842

N/A

train

original data

P6_3/mmc

4,114

false

3,288

B6Ir12Zn12

data_[Zn24B12Ir24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.8228] _cell_length_b [26.5289] _cell_length_c [10.1908] ...

0.492221

N/A

null

train

synthetic, MP or NOMAD

Cmcm

150

true

4,901

Mn4 Ge2 Mo4 N6

data_[Mn4Ge2Mo4N6] 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 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 [2.9137] _cell_length_b [2...

0.273501

N/A

train

original data

P6_3/mmc

572

false

445

Sc4 Tl2 Cr2 N4

data_[Sc4Tl2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1372] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

2,525

false

2,013

Cr4 Si2 Mo4 N6

data_[Cr4Si2Mo4N6] 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 [2.8245] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

4,250

false

3,404

Sc4 Mn4 Ge2 N6

data_[Sc4Mn4Ge2N6] 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 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 [3.0450] _cell_length_b [3...

0.293231

N/A

train

original data

P6_3/mmc

1,622

false

1,290

Zr6 Sn2 C4

data_[Zr6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.3734] _cell_length_b [3.3734] _cell_length_c [20.0743] ...

0.215773

N/A

train

original data

P6_3/mmc

1,234

false

976

Sc4 Ge2 N2

data_[Sc4Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2284] _cell_length_b [3.2284] _cell_length_c [13.6209] ...

0.236842

N/A

train

original data

P6_3/mmc

2,152

false

1,715

Mn2 Cr4 Si2 N4

data_[Mn2Cr4Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 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 [2.7671] _cell_length_b [2...

0.248008

N/A

train

original data

P6_3/mmc

1,609

false

1,279

Mn4 Cr4 In2 N6

data_[Mn4Cr4In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 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 [2.9637] _cell_length_b [2...

0.250562

N/A

train

original data

P6_3/mmc

3,800

false

3,041