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
Zr4 W4 C6 S2
data_[Zr4W4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2366] _cell_length_b [3.236...
0.794097
N/A
N/A
train
original data
P6_3/mmc
511
false
401
Sc4 Ta4 Ge2 N6
data_[Sc4Ta4Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1104] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
632
false
496
V4 Ga2 W2 C4
data_[V4Ga2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9882] _cell_length_b [2.988...
0.795156
N/A
N/A
train
original data
P6_3/mmc
5,423
false
4,342
Sn2 Mo6 N4
data_[Sn2Mo6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2341] _cell_length_b [3.2341] _cell_length_c [17.6489] ...
0.236842
N/A
N/A
test
original data
P6_3/mmc
5,068
false
6,078
Mn8 Pb2 C6
data_[Mn8Pb2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0308] _cell_length_b [3.0308] _cell_length_c [21.4588] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,728
false
3,787
Ti2 Nb2 Sn2 C2
data_[Ti2Nb2Sn2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1895] _cell_length_b [3.1...
0.795795
N/A
N/A
train
original data
P6_3mc
2,716
false
2,173
Hf2 Ti2 Cd2 C2
data_[Hf2Ti2Cd2C2] 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 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 [3.2034] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
4,502
false
3,611
Hf2 Ti2 Ga2 C2
data_[Hf2Ti2Ga2C2] 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 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1846] _cell_length_b [3.1...
0.795898
N/A
N/A
train
original data
P6_3mc
1,561
false
1,237
Ti4 Mn4 Cd2 C6
data_[Ti4Mn4Cd2C6] 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 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 [3.0020] _cell_length_b [3...
0.214263
N/A
N/A
train
original data
P6_3/mmc
355
false
286
V2 As2 W2 N2
data_[V2As2W2N2] 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_3mc] _cell_length_a [3.1605] _cell_length_b [3.1605]...
1
N/A
N/A
train
original data
P6_3mc
3,630
false
2,904
Hf4 Sn2 Mo4 C6
data_[Hf4Sn2Mo4C6] 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 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 [3.2213] _cell_length_b [3...
0.798064
N/A
N/A
validation
original data
P6_3/mmc
489
false
5,010
Mn4 V4 Pb2 C6
data_[Mn4V4Pb2C6] 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 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 [3.0110] _cell_length_b [3.0...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,235
false
977
Zr4 Ta2 Pb2 N4
data_[Zr4Ta2Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2294] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
3,501
false
5,321
Hf2 Mo2 Pb2 N2
data_[Hf2Mo2Pb2N2] 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 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 [3.3682] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
3,879
false
3,102
Tl2 V2 Cr2 C2
data_[Tl2V2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 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 [3.0956] _cell_length_b [3.095...
0.766341
N/A
N/A
train
original data
P6_3mc
5,336
false
4,273
Cr2 Mo2 C2 S2
data_[Cr2Mo2C2S2] 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 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 [3.1733] _cell_length_b [3.173...
0.755117
N/A
N/A
train
original data
P6_3mc
1,182
false
934
Zr4 Sc2 Tl2 C4
data_[Zr4Sc2Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3682] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
742
false
588
Tl2 W6 N4
data_[Tl2W6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.8719] _cell_length_b [2.8719] _cell_length_c [21.8884] _c...
0.291335
N/A
N/A
train
original data
P6_3/mmc
616
false
482
Ta2 Mn2 Ge2 N2
data_[Ta2Mn2Ge2N2] 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 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0778] _cell_length_b [3.0...
0.287354
N/A
N/A
train
original data
P6_3mc
1,188
false
938
Al2 Cr4 W4 N6
data_[Al2Cr4W4N6] 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 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 [2.7975] _cell_length_b [2.7...
1
N/A
N/A
train
original data
P6_3/mmc
977
false
781
Mn8 Al2 C6
data_[Mn8Al2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9044] _cell_length_b [2.9044] _cell_length_c [20.9034] ...
0.000001
N/A
N/A
test
original data
P6_3/mmc
1,334
false
5,728
Hf2 Sc2 In2 C2
data_[Hf2Sc2In2C2] 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 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 [3.3289] _cell_length_b [3.3...
0.792398
N/A
N/A
validation
original data
P6_3mc
3,873
false
5,363
Mn2 Nb2 Tl2 C2
data_[Mn2Nb2Tl2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1759] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
5,434
false
4,352
Zr2 Nb4 Ga2 C4
data_[Zr2Nb4Ga2C4] 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 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1973] _cell_length_b [3...
0.796853
N/A
N/A
validation
original data
P6_3/mmc
5,468
false
5,518
Ta4 Cr4 Si2 N6
data_[Ta4Cr4Si2N6] 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 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 [3.0647] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
172
false
138
Hf4 Nb2 In2 N4
data_[Hf4Nb2In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1952] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
332
false
265
Zr2 Cd2 W2 N2
data_[Zr2Cd2W2N2] 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 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 [3.1849] _cell_length_b [3.184...
1
N/A
N/A
train
original data
P6_3mc
3,371
false
2,703
Zr2 Ti4 As2 C4
data_[Zr2Ti4As2C4] 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 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 [3.2617] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,814
false
3,051
Zr4 Cr4 Cd2 N6
data_[Zr4Cr4Cd2N6] 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 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 [3.1391] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,330
false
1,056
V4 Cr4 Ge2 C6
data_[V4Cr4Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9261] _cell_length_b [2.9...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,928
false
2,337
Ta2 Si2 Mo2 N2
data_[Ta2Si2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0650] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
5,535
false
4,437
Zr4 Sn2 W4 C6
data_[Zr4Sn2W4C6] 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 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 [3.2092] _cell_length_b [3.2...
0.795093
N/A
N/A
train
original data
P6_3/mmc
4,408
false
3,531
Mn4 In2 Mo4 C6
data_[Mn4In2Mo4C6] 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 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 [3.0341] _cell_length_b [3...
0.211025
N/A
N/A
validation
original data
P6_3/mmc
853
false
5,046
V2 Ga2 W2 N2
data_[V2Ga2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8735] _cell_length_b [2.8735]...
1
N/A
N/A
train
original data
P6_3mc
4,658
false
3,732
Zr2 Ti2 Ge2 N2
data_[Zr2Ti2Ge2N2] 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_3mc] _cell_length_a [3.1405] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3mc
3,652
false
5,339
Ti4 Nb4 Ge2 N6
data_[Ti4Nb4Ge2N6] 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 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 [3.1049] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,592
false
2,065
Ta4 Ti4 As2 C6
data_[Ta4Ti4As2C6] 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 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 [3.1807] _cell_length_b [3...
0.797354
N/A
N/A
train
original data
P6_3/mmc
2,834
false
2,265
V8 Pb2 C6
data_[V8Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0170] _cell_length_b [3.0170] _cell_length_c [23.3336] _c...
0.231124
N/A
N/A
train
original data
P6_3/mmc
4,828
false
3,864
Zr4 Cr4 Sn2 C6
data_[Zr4Cr4Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1266] _cell_length_b [3...
0.765706
N/A
N/A
train
original data
P6_3/mmc
2,593
false
2,066
Cr4 As2 W2 N4
data_[Cr4As2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0675] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,178
false
4,149
Al2 Cr2 Mo2 C2
data_[Al2Cr2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9434] _cell_length_b [2.9...
0.758928
N/A
N/A
train
original data
P6_3mc
5,027
false
4,022
Hf4 Ta4 Sn2 C6
data_[Hf4Ta4Sn2C6] 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 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 [3.2207] _cell_length_b [3...
0.797318
N/A
N/A
train
original data
P6_3/mmc
3,306
false
2,646
Sc4 V2 Si2 C4
data_[Sc4V2Si2C4] 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 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 [3.1148] _cell_length_b [3.1...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
4,069
false
5,389
Hf2 V4 Ge2 N4
data_[Hf2V4Ge2N4] 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 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 [3.0617] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,162
false
1,724
V2 Pb2 W4 N4
data_[V2Pb2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0885] _cell_length_b [3.088...
1
N/A
N/A
train
original data
P6_3/mmc
1,739
false
1,381
Cr2 Cd2 Mo2 C2
data_[Cr2Cd2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9984] _cell_length_b [2.9...
0.755117
N/A
N/A
train
original data
P6_3mc
129
false
101
Ta2 Sn2 Mo2 N2
data_[Ta2Sn2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 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 [3.3247] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
2,118
false
1,691
Hf8 P2 N6
data_[Hf8P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2725] _cell_length_b [3.2725] _cell_length_c [22.5080] _c...
0.307412
N/A
N/A
train
original data
P6_3/mmc
2,851
false
2,278
V4 Cd2 C2
data_[V4Cd2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9918] _cell_length_b [2.9918] _cell_length_c [13.7975] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
832
false
658
V4 Cr4 Cd2 N6
data_[V4Cr4Cd2N6] 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 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9599] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
201
false
159
Zr2 Mn2 P2 C2
data_[Zr2Mn2P2C2] 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_3mc] _cell_length_a [3.3069] _cell_length_b [3.306...
0.231279
N/A
N/A
train
original data
P6_3mc
1,933
false
1,541
Zr2 Cr2 Pb2 C2
data_[Zr2Cr2Pb2C2] 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 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 [3.2752] _cell_length_b [3.2...
0.762941
N/A
N/A
train
original data
P6_3mc
995
false
798
Hf2 Nb2 Pb2 C2
data_[Hf2Nb2Pb2C2] 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 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 [3.3068] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3mc
2,690
false
2,150
Ta2 Mn4 As2 N4
data_[Ta2Mn4As2N4] 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 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 [3.1636] _cell_length_b [3...
0.236842
N/A
N/A
test
original data
P6_3/mmc
5,564
false
6,129
Hf2 Mn2 Ge2 C2
data_[Hf2Mn2Ge2C2] 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_3mc] _cell_length_a [3.1786] _cell_length_b [3.1...
0.213729
N/A
N/A
train
original data
P6_3mc
1,887
false
1,501
Nb4 Ge2 W4 C6
data_[Nb4Ge2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1654] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,939
false
1,545
Ta4 Al2 W4 C6
data_[Ta4Al2W4C6] 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 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 [3.1253] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
38
false
31
Ta4Co4B8
data_[Ta4Co4B8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.9463] _cell_length_b [3.1606] _cell_length_c [8.1794] _cell...
0.48998
N/A
null
train
synthetic, MP or NOMAD
Pnma
258
true
4,944
Al2 Cr4 N2
data_[Al2Cr4N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8222] _cell_length_b [2.8222] _cell_length_c [12.7436] ...
0.293547
N/A
N/A
test
original data
P6_3/mmc
1,975
false
5,788
Hf4 Si2 C2
data_[Hf4Si2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2716] _cell_length_b [3.2716] _cell_length_c [13.4141] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,697
false
1,346
Ta2 Mn2 Sn2 N2
data_[Ta2Mn2Sn2N2] 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_3mc] _cell_length_a [3.0899] _cell_length_b [3.0...
0.283155
N/A
N/A
train
original data
P6_3mc
1,742
false
1,383
Hf4 Mn2 Tl2 C4
data_[Hf4Mn2Tl2C4] 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 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2471] _cell_length_b [3...
0.210808
N/A
N/A
train
original data
P6_3/mmc
3,870
false
3,095
Hf4 V2 P2 N4
data_[Hf4V2P2N4] 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 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 [3.2787] _cell_length_b [3.278...
1
N/A
N/A
test
original data
P6_3/mmc
3,096
false
5,901
Sc2 Nb2 Ga2 N2
data_[Sc2Nb2Ga2N2] 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 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 [3.1133] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
133
false
105
Zr2 V4 In2 N4
data_[Zr2V4In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0705] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3/mmc
813
false
5,679
Zr2 Ti4 C4 S2
data_[Zr2Ti4C4S2] 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 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 [3.2581] _cell_length_b [3.2...
0.790937
N/A
N/A
train
original data
P6_3/mmc
3,120
false
2,495
Ta4 Cr4 P2 C6
data_[Ta4Cr4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0944] _cell_length_b [3.0...
0.761613
N/A
N/A
train
original data
P6_3/mmc
2,723
false
2,177
Ti8 Cd2 C6
data_[Ti8Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0960] _cell_length_b [3.0960] _cell_length_c [24.3662] ...
0.226673
N/A
N/A
train
original data
P6_3/mmc
5,428
false
4,346
Mn2 W2 S2 N2
data_[Mn2W2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0671] _cell_length_b [3.0671]...
0.26729
N/A
N/A
train
original data
P6_3mc
1,972
false
1,574
Hf4 Mn2 Si2 C4
data_[Hf4Mn2Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1934] _cell_length_b [3...
0.219049
N/A
N/A
train
original data
P6_3/mmc
2,956
false
2,361
Cr4 In2 W2 C4
data_[Cr4In2W2C4] 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 [3.0782] _cell_length_b [3.0...
0.763363
N/A
N/A
train
original data
P6_3/mmc
2,541
false
2,025
V4 As2 W4 C6
data_[V4As2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0420] _cell_length_b [3.042...
0.792718
N/A
N/A
train
original data
P6_3/mmc
2,417
false
1,932
Ta4 Ti2 P2 N4
data_[Ta4Ti2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1155] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,786
false
3,028
Ta4 Tl2 W4 N6
data_[Ta4Tl2W4N6] 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_3/mmc] _cell_length_a [2.9238] _cell_length_b [2.9...
0.99597
N/A
N/A
test
original data
P6_3/mmc
140
false
5,606
Hf2 Cd2 W4 N4
data_[Hf2Cd2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0695] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3/mmc
3,649
false
5,942
Mn4 Nb2 Pb2 N4
data_[Mn4Nb2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1210] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
4,329
false
5,409
Sc4 Cr2 Pb2 N4
data_[Sc4Cr2Pb2N4] 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 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 [3.1726] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,707
false
2,164
Zr2 Si2 W2 C2
data_[Zr2Si2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2438] _cell_length_b [3.243...
0.793048
N/A
N/A
train
original data
P6_3mc
2,624
false
2,093
Ti4 Cr4 C6 S2
data_[Ti4Cr4C6S2] 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 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 [3.0130] _cell_length_b [3.0...
0.773442
N/A
N/A
validation
original data
P6_3/mmc
427
false
5,005
Hf4 As2 N2
data_[Hf4As2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3992] _cell_length_b [3.3992] _cell_length_c [12.2199] ...
0.28268
N/A
N/A
train
original data
P6_3/mmc
1,097
false
872
Nb2 Al2 V4 N4
data_[Nb2Al2V4N4] 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 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 [2.9758] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,466
false
4,378
Ta2 In2 W2 N2
data_[Ta2In2W2N2] 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_3mc] _cell_length_a [2.9889] _cell_length_b [2.988...
0.997076
N/A
N/A
test
original data
P6_3mc
2,802
false
5,868
Zr2 Ga2 W2 N2
data_[Zr2Ga2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ga 1.8100 1.3000 0.7600 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 [3.2090] _cell_length_b [3.209...
1
N/A
N/A
train
original data
P6_3mc
1,270
false
1,007
Ga2 W6 C4
data_[Ga2W6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0759] _cell_length_b [3.0759] _cell_length_c [18.3652] _c...
0.203957
N/A
N/A
test
original data
P6_3/mmc
4,966
false
6,068
Zr4 Ti4 Pb2 N6
data_[Zr4Ti4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1463] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,043
false
1,632
Ta4 Ti2 Pb2 C4
data_[Ta4Ti2Pb2C4] 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 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 [3.1984] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,960
false
3,163
V2 Si2 W4 N4
data_[V2Si2W4N4] 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 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 [2.9561] _cell_length_b [2.956...
1
N/A
N/A
train
original data
P6_3/mmc
3,246
false
2,599
Ti4 Mn4 Pb2 N6
data_[Ti4Mn4Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0556] _cell_length_b [3...
0.236842
N/A
N/A
test
original data
P6_3/mmc
134
false
5,604
Ti2 Al2 V4 C4
data_[Ti2Al2V4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9617] _cell_length_b [2.9...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,967
false
3,975
Hf4 Cr4 Ga2 C6
data_[Hf4Cr4Ga2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1618] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,614
false
2,891
Nb4 Tl2 V2 N4
data_[Nb4Tl2V2N4] 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 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 [3.0670] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,988
false
1,586
Ti8 Pb2 C6
data_[Ti8Pb2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1515] _cell_length_b [3.1515] _cell_length_c [23.9723] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,493
false
3,602
In2 Mo4 W4 N6
data_[In2Mo4W4N6] 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_3/mmc] _cell_length_a [2.8586] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
282
false
220
Hf2 Zr4 C4 S2
data_[Hf2Zr4C4S2] 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 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 [3.3856] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,398
false
3,523
Zr2 Sc2 C2 S2
data_[Zr2Sc2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.4227] _cell_length_b [3.422...
0.795678
N/A
N/A
train
original data
P6_3mc
4,865
false
3,893
Hf4 Ti2 Tl2 N4
data_[Hf4Ti2Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2003] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,816
false
3,053
Zr4 Ta4 As2 N6
data_[Zr4Ta4As2N6] 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 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 [3.2785] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,354
false
1,075
Cr2 W2 C2 S2
data_[Cr2W2C2S2] 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_3mc] _cell_length_a [3.1887] _cell_length_b [3.1887]...
0.762645
N/A
N/A
train
original data
P6_3mc
690
false
546
Cr4 Mo2 P2 N4
data_[Cr4Mo2P2N4] 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_3/mmc] _cell_length_a [2.8704] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
552
false
427
Sc4 V2 Ge2 N4
data_[Sc4V2Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1120] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,541
false
4,442