Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
stringlengths
4
14
CIF
stringlengths
825
3.16k
matches_count_scaled
float64
0
1
Database
stringclasses
1 value
Reduced Formula
stringclasses
1 value
split
stringclasses
3 values
source
stringclasses
2 values
space_group
stringclasses
15 values
Material ID
int64
0
6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
0
6.18k
Zr2 Mn2 P2 N2
data_[Zr2Mn2P2N2] 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 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 [3.2985] _cell_length_b [3.298...
0.307412
N/A
N/A
train
original data
P6_3mc
925
false
737
Ta2 Mn4 S2 N4
data_[Ta2Mn4S2N4] 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 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 [3.1700] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,639
false
2,912
Mn2 V2 In2 N2
data_[Mn2V2In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0675] _cell_length_b [3.067...
0.258967
N/A
N/A
test
original data
P6_3mc
971
false
5,690
Mn2 V4 Ge2 C4
data_[Mn2V4Ge2C4] 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 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 [2.9759] _cell_length_b [2.9...
0.219149
N/A
N/A
train
original data
P6_3/mmc
3,138
false
2,508
Mn4 Tl2 W2 N4
data_[Mn4Tl2W2N4] 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 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...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
4,656
false
5,443
Zr4 Nb2 Cd2 N4
data_[Zr4Nb2Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 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 [3.2355] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,169
false
4,142
Hf4 Cr2 S2 N4
data_[Hf4Cr2S2N4] 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 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 [3.2922] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,518
false
3,625
Zr4 Al2 V4 C6
data_[Zr4Al2V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1488] _cell_length_b [3.1...
0.79253
N/A
N/A
train
original data
P6_3/mmc
4,551
false
3,652
Sc4 Al2 Mo2 N4
data_[Sc4Al2Mo2N4] 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 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 [3.1457] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,827
false
3,061
Mn4 Pb2 W4 C6
data_[Mn4Pb2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3/mmc] _cell_length_a [3.1002] _cell_length_b [3.1...
0.2012
N/A
N/A
train
original data
P6_3/mmc
5,138
false
4,116
Sc2 Ti4 Cd2 N4
data_[Sc2Ti4Cd2N4] 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 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 [3.1108] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,807
false
2,240
Zr4 Tl2 Cr4 C6
data_[Zr4Tl2Cr4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 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 [3.2179] _cell_length_b [3...
0.764234
N/A
N/A
train
original data
P6_3/mmc
404
false
321
Zr4 Ti4 Ga2 N6
data_[Zr4Ti4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 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 [3.1430] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
3,853
false
5,964
Ti4 Mo4 As2 C6
data_[Ti4Mo4As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1365] _cell_length_b [3...
0.793382
N/A
N/A
train
original data
P6_3/mmc
5,277
false
4,227
Hf4 Mo2 As2 N4
data_[Hf4Mo2As2N4] 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 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 [3.4004] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,659
false
2,122
Sc4 Ta4 S2 N6
data_[Sc4Ta4S2N6] 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 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 [3.2217] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3/mmc
4,127
false
5,989
Nb2 Mo4 Pb2 N4
data_[Nb2Mo4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 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 [3.2068] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,246
false
4,203
Mn2 Ge2 Mo4 C4
data_[Mn2Ge2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0829] _cell_length_b [3...
0.206454
N/A
N/A
train
original data
P6_3/mmc
3,977
false
3,178
Hf2 Nb2 C2 S2
data_[Hf2Nb2C2S2] 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 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3456] _cell_length_b [3.345...
0.792398
N/A
N/A
train
original data
P6_3mc
4,533
false
3,636
Ta2 Al2 Mo2 N2
data_[Ta2Al2Mo2N2] 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 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 [2.9373] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3mc
817
false
645
Sc4 Ta2 Pb2 N4
data_[Sc4Ta2Pb2N4] 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 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 [3.2591] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,951
false
4,764
Ta2 Si2 W2 N2
data_[Ta2Si2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0501] _cell_length_b [3.050...
0.990832
N/A
N/A
train
original data
P6_3mc
4,943
false
3,955
Mn4 Cr2 C4 S2
data_[Mn4Cr2C4S2] 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 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9891] _cell_length_b [2.9...
0.170171
N/A
N/A
train
original data
P6_3/mmc
590
false
459
Zr2 Cd2 Mo4 N4
data_[Zr2Cd2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.1007] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,790
false
1,422
Ta2 Mn2 Tl2 C2
data_[Ta2Mn2Tl2C2] 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 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 [3.1863] _cell_length_b [3.1...
0.204937
N/A
N/A
train
original data
P6_3mc
4,780
false
3,828
Zr2 Sc2 Si2 C2
data_[Zr2Sc2Si2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3095] _cell_length_b [3.3...
0.794635
N/A
N/A
validation
original data
P6_3mc
2,748
false
5,244
Sc4 Ga2 W4 N6
data_[Sc4Ga2W4N6] 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_3/mmc] _cell_length_a [3.0424] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
331
false
264
Zr2 Nb2 Al2 C2
data_[Zr2Nb2Al2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1999] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3mc
3,867
false
3,092
Mn4 Nb4 In2 N6
data_[Mn4Nb4In2N6] 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 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 [3.1171] _cell_length_b [3...
0.253211
N/A
N/A
train
original data
P6_3/mmc
290
false
228
Sc4 Cr4 Cd2 C6
data_[Sc4Cr4Cd2C6] 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 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 [3.0947] _cell_length_b [3...
0.764521
N/A
N/A
validation
original data
P6_3/mmc
707
false
5,031
Hf4 Nb4 Tl2 N6
data_[Hf4Nb4Tl2N6] 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 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2145] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,350
false
1,875
Ti6 Pb2 N4
data_[Ti6Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1305] _cell_length_b [3.1305] _cell_length_c [18.7445] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
3,788
false
3,030
Nb2 V4 Si2 N4
data_[Nb2V4Si2N4] 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 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 [3.0036] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,726
false
4,588
Nb4 Cd2 Mo4 C6
data_[Nb4Cd2Mo4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1339] _cell_length_b [3...
0.795343
N/A
N/A
train
original data
P6_3/mmc
4,019
false
3,212
Zr4 Sc2 Sn2 C4
data_[Zr4Sc2Sn2C4] 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 [3.3682] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,242
false
3,398
Nb6 In2 N4
data_[Nb6In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1384] _cell_length_b [3.1384] _cell_length_c [19.6757] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
4,905
false
3,927
Hf2 Ge2 Mo4 N4
data_[Hf2Ge2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ge 2.0100 1.2500 0.7700 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 [3.1441] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,398
false
2,722
Sc4 Ti2 Si2 N4
data_[Sc4Ti2Si2N4] 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 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 [3.1174] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,326
false
5,205
Sc4 Ta4 Cd2 N6
data_[Sc4Ta4Cd2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1579] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,908
false
2,323
Cr4 Sn2 Mo2 C4
data_[Cr4Sn2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 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 [3.1116] _cell_length_b [3...
0.757717
N/A
N/A
train
original data
P6_3/mmc
5,901
false
4,722
Zr4 Mn2 P2 C4
data_[Zr4Mn2P2C4] 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 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 [3.2909] _cell_length_b [3.2...
0.201062
N/A
N/A
train
original data
P6_3/mmc
4,371
false
3,501
Mn2 Si2 W2 C2
data_[Mn2Si2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 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 [3.0206] _cell_length_b [3.020...
0.219354
N/A
N/A
train
original data
P6_3mc
1,582
false
1,256
Ti4 Nb4 Sn2 N6
data_[Ti4Nb4Sn2N6] 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 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 [3.1378] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
3,970
false
5,976
Hf4 Sn2 W4 N6
data_[Hf4Sn2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2282] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,219
false
1,765
Mn6 Ge2 C4
data_[Mn6Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9471] _cell_length_b [2.9471] _cell_length_c [15.9530] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
311
false
247
Sc4 Cd2 Mo4 N6
data_[Sc4Cd2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0525] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,691
false
1,340
Nb2 Cr4 Ga2 N4
data_[Nb2Cr4Ga2N4] 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 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 [3.0231] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,280
false
3,429
Mn6 Pb2 N4
data_[Mn6Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0252] _cell_length_b [3.0252] _cell_length_c [17.4909] ...
0.000002
N/A
N/A
train
original data
P6_3/mmc
4,105
false
3,281
Zr4 Ta2 S2 N4
data_[Zr4Ta2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 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 [3.2491] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3/mmc
3,006
false
5,891
Ta4 Nb4 As2 C6
data_[Ta4Nb4As2C6] 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 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 [3.2130] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,852
false
2,279
Hf2 Ta2 Cd2 N2
data_[Hf2Ta2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1717] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3mc
4,406
false
6,013
Zr2 Ta4 In2 N4
data_[Zr2Ta4In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 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 [3.1328] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
324
false
5,624
P2 W4 N2
data_[P2W4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9751] _cell_length_b [2.9751] _cell_length_c [12.7698] _cel...
0.294574
N/A
N/A
test
original data
P6_3/mmc
5,485
false
6,124
Hf4 Zr2 In2 C4
data_[Hf4Zr2In2C4] 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 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 [3.3374] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,796
false
3,037
Nb2 Cr4 Cd2 N4
data_[Nb2Cr4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0595] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,412
false
2,732
Cr4 C2 S2
data_[Cr4C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0783] _cell_length_b [3.0783] _cell_length_c [10.4645] _c...
0.176403
N/A
N/A
train
original data
P6_3/mmc
5,996
false
4,797
V2 P2 W4 C4
data_[V2P2W4C4] 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 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 [3.0539] _cell_length_b [3.0539]...
0.793794
N/A
N/A
train
original data
P6_3/mmc
1,868
false
1,485
Sc4 Nb2 P2 N4
data_[Sc4Nb2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2444] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3/mmc
270
false
4,989
Zr4 Sc4 As2 N6
data_[Zr4Sc4As2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2806] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,284
false
1,819
Ti4 Mn2 Al2 N4
data_[Ti4Mn2Al2N4] 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 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9670] _cell_length_b [2...
0.307412
N/A
N/A
test
original data
P6_3/mmc
3,407
false
5,921
Ta4 Mn2 Sn2 N4
data_[Ta4Mn2Sn2N4] 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 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 [3.0833] _cell_length_b [3...
0.259443
N/A
N/A
train
original data
P6_3/mmc
4,168
false
3,335
Hf4 Ta4 Si2 N6
data_[Hf4Ta4Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 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 [3.1410] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,601
false
2,881
Ta2 Tl2 W2 N2
data_[Ta2Tl2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [2.9996] _cell_length_b [2.999...
0.996111
N/A
N/A
train
original data
P6_3mc
2,290
false
1,824
Hf2 Ti2 In2 C2
data_[Hf2Ti2In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2424] _cell_length_b [3.2...
0.797238
N/A
N/A
train
original data
P6_3mc
509
false
399
Zr2 Ta2 Pb2 C2
data_[Zr2Ta2Pb2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3058] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3mc
4,081
false
3,259
Sc4 V4 Pb2 N6
data_[Sc4V4Pb2N6] 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 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 [3.1107] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,110
false
1,684
Ti4 Mo2 Pb2 N4
data_[Ti4Mo2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 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 [3.2325] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
387
false
310
Ti2 Cr4 In2 C4
data_[Ti2Cr4In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0497] _cell_length_b [3...
0.759935
N/A
N/A
train
original data
P6_3/mmc
3,267
false
2,618
Zr4 Tl2 V4 N6
data_[Zr4Tl2V4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1709] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,885
false
1,499
Cd2 Mo4 W4 C6
data_[Cd2Mo4W4C6] 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 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 [3.1113] _cell_length_b [3.1...
0.7951
N/A
N/A
test
original data
P6_3/mmc
154
false
5,608
Cr4 P2 W2 C4
data_[Cr4P2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1031] _cell_length_b [3.103...
0.755117
N/A
N/A
train
original data
P6_3/mmc
382
false
307
Sc4 Ta4 In2 N6
data_[Sc4Ta4In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0992] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,593
false
1,265
V2 Cd2 Mo2 C2
data_[V2Cd2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 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 [3.0384] _cell_length_b [3.038...
0.792398
N/A
N/A
test
original data
P6_3mc
5,729
false
6,146
Nb4 Cr4 Cd2 C6
data_[Nb4Cr4Cd2C6] 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 [3.0336] _cell_length_b [3...
0.76849
N/A
N/A
validation
original data
P6_3/mmc
5,096
false
5,487
Hf4 Sc2 C4 S2
data_[Hf4Sc2C4S2] 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 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 [3.3778] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,371
false
1,087
Zr4 Cr2 C4 S2
data_[Zr4Cr2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3044] _cell_length_b [3.3...
0.755241
N/A
N/A
train
original data
P6_3/mmc
1,204
false
951
Hf6 C4 S2
data_[Hf6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.3612] _cell_length_b [3.3612] _cell_length_c [17.3432] _c...
0.216436
N/A
N/A
train
original data
P6_3/mmc
350
false
282
Cr2 In2 W4 C4
data_[Cr2In2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0269] _cell_length_b [3.0...
0.760397
N/A
N/A
validation
original data
P6_3/mmc
4,545
false
5,426
Cr2 W4 C4 S2
data_[Cr2W4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [3.0372] _cell_length_b [3.037...
0.759052
N/A
N/A
train
original data
P6_3/mmc
3,542
false
2,832
Ti2 Ge2 Mo2 N2
data_[Ti2Ge2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3mc] _cell_length_a [3.1167] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
135
false
106
Sc2 Ti2 S2 N2
data_[Sc2Ti2S2N2] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2498] _cell_length_b [3.249...
1
N/A
N/A
train
original data
P6_3mc
2,742
false
2,192
Ta4 Ti4 Cd2 N6
data_[Ta4Ti4Cd2N6] 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 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 [3.0903] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,153
false
912
Nb2 V4 Pb2 C4
data_[Nb2V4Pb2C4] 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 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 [3.1516] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,143
false
4,120
Hf2 Tl2 W2 C2
data_[Hf2Tl2W2C2] 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 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 [3.2309] _cell_length_b [3.230...
0.798068
N/A
N/A
validation
original data
P6_3mc
1,558
false
5,124
Mn2 In2 W2 N2
data_[Mn2In2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0285] _cell_length_b [3.028...
0.303824
N/A
N/A
validation
original data
P6_3mc
1,149
false
5,080
Zr4 Ti4 Ge2 N6
data_[Zr4Ti4Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 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 [3.1066] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,742
false
2,994
Hf4 Tl2 W2 C4
data_[Hf4Tl2W2C4] 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 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 [3.2665] _cell_length_b [3.2...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
5,283
false
5,503
Sc4 Al2 V2 N4
data_[Sc4Al2V2N4] 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 [3.0924] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,032
false
4,027
Zr2 Tl2 Mo2 C2
data_[Zr2Tl2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 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 [3.2534] _cell_length_b [3.2...
0.798068
N/A
N/A
test
original data
P6_3mc
3,483
false
5,929
Sc4 Mo2 As2 C4
data_[Sc4Mo2As2C4] 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 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 [3.2136] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,883
false
3,105
Nb2 Cd2 W4 C4
data_[Nb2Cd2W4C4] 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 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 [3.0619] _cell_length_b [3.0...
0.795084
N/A
N/A
test
original data
P6_3/mmc
5,357
false
6,113
Zr4 Cr4 Si2 C6
data_[Zr4Cr4Si2C6] 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 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 [3.0814] _cell_length_b [3...
0.762609
N/A
N/A
train
original data
P6_3/mmc
1,531
false
1,214
Cr2 Ge2 W4 N4
data_[Cr2Ge2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8535] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
1,478
false
1,169
Hf2 Cr4 Si2 C4
data_[Hf2Cr4Si2C4] 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 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 [3.0505] _cell_length_b [3...
0.76638
N/A
N/A
validation
original data
P6_3/mmc
2,926
false
5,259
Ti2 Pb2 W2 C2
data_[Ti2Pb2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.2658] _cell_length_b [3.265...
0.794812
N/A
N/A
train
original data
P6_3mc
1,328
false
1,054
V4 Si2 Mo2 N4
data_[V4Si2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8843] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
4,444
false
3,562
Sc4 Mn2 Cd2 C4
data_[Sc4Mn2Cd2C4] 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 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 [3.1265] _cell_length_b [3...
0.205263
N/A
N/A
train
original data
P6_3/mmc
5,122
false
4,103
Zr4 V2 Ga2 N4
data_[Zr4V2Ga2N4] 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 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 [3.1397] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,390
false
1,908
Zr2 Cr4 Sn2 N4
data_[Zr2Cr4Sn2N4] 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 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 [3.1437] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,403
false
3,528
Zr4 Mn4 Sn2 N6
data_[Zr4Mn4Sn2N6] 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 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 [3.2423] _cell_length_b [3...
0.277255
N/A
N/A
train
original data
P6_3/mmc
3,033
false
2,422