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
Ca2Si2Ru4C2
data_[Ca4Si4Ru8C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8679] _cell_length_b [11.07...
0.448133
N/A
null
train
synthetic, MP or NOMAD
Cmcm
0
false
4,809
Zr4 Mo4 Pb2 N6
data_[Zr4Mo4Pb2N6] 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_3/mmc] _cell_length_a [3.2647] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,797
false
2,235
Tl2 V4 N2
data_[Tl2V4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1398] _cell_length_b [3.1398] _cell_length_c [12.9727] _c...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,339
false
4,275
Mn2 Cr4 C4 S2
data_[Mn2Cr4C4S2] 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 [3.0035] _cell_length_b [3.0...
0.175318
N/A
N/A
train
original data
P6_3/mmc
2,016
false
1,611
Sc2 Ta2 Ge2 N2
data_[Sc2Ta2Ge2N2] 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_3mc] _cell_length_a [3.1315] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
980
false
784
Zr2 Mo4 S2 N4
data_[Zr2Mo4S2N4] 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 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 [3.1716] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,998
false
3,194
Sc4 Mn2 P2 C4
data_[Sc4Mn2P2C4] 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 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 [3.1300] _cell_length_b [3.1...
0.21467
N/A
N/A
train
original data
P6_3/mmc
3,243
false
2,596
Ta4 Si2 N2
data_[Ta4Si2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2260] _cell_length_b [3.2260] _cell_length_c [12.1215] ...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
336
false
4,995
Hf4 V2 Ge2 N4
data_[Hf4V2Ge2N4] 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 [3.1233] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,685
false
2,145
Nb4 V4 Pb2 C6
data_[Nb4V4Pb2C6] 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 [3.0891] _cell_length_b [3.0...
0.79573
N/A
N/A
train
original data
P6_3/mmc
744
false
590
Sc4 Mn4 Cd2 N6
data_[Sc4Mn4Cd2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0342] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
2,649
false
2,114
Nb4 P2 C2
data_[Nb4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2930] _cell_length_b [3.2930] _cell_length_c [11.6170] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,175
false
2,540
Hf4 Ta4 Ge2 N6
data_[Hf4Ta4Ge2N6] 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 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 [3.2241] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,720
false
5,243
Ti2 Nb2 In2 N2
data_[Ti2Nb2In2N2] 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 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 [3.1269] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,910
false
3,124
V4 Ge2 W2 N4
data_[V4Ge2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0147] _cell_length_b [3.014...
1
N/A
N/A
train
original data
P6_3/mmc
4,007
false
3,202
P2 W4 C2
data_[P2W4C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0788] _cell_length_b [3.0788] _cell_length_c [12.1301] _cel...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,946
false
1,552
Sc2 V4 Si2 C4
data_[Sc2V4Si2C4] 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 [3.0329] _cell_length_b [3.0...
0.795298
N/A
N/A
train
original data
P6_3/mmc
5,440
false
4,356
Hf6 Tl2 N4
data_[Hf6Tl2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2223] _cell_length_b [3.2223] _cell_length_c [20.3624] ...
0.255718
N/A
N/A
train
original data
P6_3/mmc
6,008
false
4,807
Hf2 Zr2 In2 N2
data_[Hf2Zr2In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2720] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3mc
820
false
5,045
Nb2 Cd2 W2 N2
data_[Nb2Cd2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9582] _cell_length_b [2.958...
1
N/A
N/A
train
original data
P6_3mc
2,026
false
1,618
Ta2 Cr2 As2 N2
data_[Ta2Cr2As2N2] 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 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2390] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
998
false
5,692
Sc4 Ti2 P2 N4
data_[Sc4Ti2P2N4] 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 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 [3.1700] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
3,705
false
5,344
Ti4 Mn4 P2 N6
data_[Ti4Mn4P2N6] 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 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 [3.0156] _cell_length_b [3.0...
0.282886
N/A
N/A
train
original data
P6_3/mmc
2,549
false
2,032
Zr4 Ti2 C4 S2
data_[Zr4Ti2C4S2] 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 [3.3241] _cell_length_b [3.3...
0.786861
N/A
N/A
test
original data
P6_3/mmc
5,762
false
6,152
Ta4 Tl2 V2 N4
data_[Ta4Tl2V2N4] 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 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 [3.0537] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,589
false
3,681
V2 Mo2 Pb2 N2
data_[V2Mo2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2541] _cell_length_b [3.254...
1
N/A
N/A
train
original data
P6_3mc
166
false
132
Nb10Ge6B2
data_[Nb10Ge6B2] 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 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [7.7846] _cell_length_b [7.7846] _cell_length_c [5.3704] ...
0.599414
N/A
null
train
synthetic, MP or NOMAD
P6_3/mcm
3
true
4,812
Hf2 V4 Ga2 C4
data_[Hf2V4Ga2C4] 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 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 [3.0692] _cell_length_b [3.0...
0.79614
N/A
N/A
validation
original data
P6_3/mmc
2,113
false
5,176
Mn2 Nb4 P2 N4
data_[Mn2Nb4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0986] _cell_length_b [3.0...
0.278344
N/A
N/A
test
original data
P6_3/mmc
3,526
false
5,934
Hf2 Ti2 Pb2 C2
data_[Hf2Ti2Pb2C2] 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_3mc] _cell_length_a [3.3072] _cell_length_b [3.3...
0.796724
N/A
N/A
train
original data
P6_3mc
3,165
false
2,531
Sc2 In2 W2 C2
data_[Sc2In2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1301] _cell_length_b [3.130...
0.798068
N/A
N/A
train
original data
P6_3mc
2,768
false
2,214
Hf2 Al2 W2 C2
data_[Hf2Al2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 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 [3.1190] _cell_length_b [3.119...
0.794087
N/A
N/A
train
original data
P6_3mc
2,172
false
1,732
Sc4 Ta4 Ge2 C6
data_[Sc4Ta4Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2209] _cell_length_b [3...
0.793327
N/A
N/A
train
original data
P6_3/mmc
213
false
170
Ta4 Ti4 Pb2 N6
data_[Ta4Ti4Pb2N6] 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 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
234
false
188
Hf4 Cr4 In2 N6
data_[Hf4Cr4In2N6] 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 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 [3.1457] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,086
false
3,264
Ti4 Cd2 W2 C4
data_[Ti4Cd2W2C4] 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 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 [3.1173] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,959
false
3,162
Zr2 Si2 Mo2 N2
data_[Zr2Si2Mo2N2] 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 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 [3.2406] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
2,782
false
5,861
Hf4 Zr2 C4 S2
data_[Hf4Zr2C4S2] 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 [3.3826] _cell_length_b [3.3...
0.795889
N/A
N/A
train
original data
P6_3/mmc
5,917
false
4,736
V2 Pb2 W2 N2
data_[V2Pb2W2N2] 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_3mc] _cell_length_a [3.2624] _cell_length_b [3.2624]...
1
N/A
N/A
train
original data
P6_3mc
5,057
false
4,049
Nb4 Cr4 P2 N6
data_[Nb4Cr4P2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0213] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,864
false
3,089
Hf4 Sc4 P2 N6
data_[Hf4Sc4P2N6] 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 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 [3.2569] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,346
false
1,871
Zr2 V4 Ga2 N4
data_[Zr2V4Ga2N4] 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 [3.0214] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,695
false
4,563
Zr4 Nb2 P2 N4
data_[Zr4Nb2P2N4] 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 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 [3.2971] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
3,400
false
2,724
Ta2 Ti4 As2 C4
data_[Ta2Ti4As2C4] 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 [3.2096] _cell_length_b [3...
0.793763
N/A
N/A
train
original data
P6_3/mmc
4,278
false
3,427
Rb4B4F16
data_[Rb4B4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 B 2.0400 0.8500 0.4100 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0194] _cell_length_b [5.5024] _cell_length_c [7.2184] _cell_...
0.493885
N/A
null
train
synthetic, MP or NOMAD
Pnma
244
true
4,936
Hf4 Ta2 Ge2 C4
data_[Hf4Ta2Ge2C4] 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 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 [3.2607] _cell_length_b [3...
0.793999
N/A
N/A
train
original data
P6_3/mmc
4,018
false
3,211
Ti4 V4 Pb2 C6
data_[Ti4V4Pb2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0917] _cell_length_b [3.0...
0.794622
N/A
N/A
train
original data
P6_3/mmc
926
false
738
Mn4 Nb2 Tl2 C4
data_[Mn4Nb2Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0983] _cell_length_b [3...
0.218528
N/A
N/A
train
original data
P6_3/mmc
1,505
false
1,194
Hf4 Sc2 Si2 C4
data_[Hf4Sc2Si2C4] 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 [3.3067] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
4,200
false
5,397
Hf2 Nb4 Ga2 C4
data_[Hf2Nb4Ga2C4] 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 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 [3.1802] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,426
false
1,130
Zr2 Mo4 As2 C4
data_[Zr2Mo4As2C4] 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 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 [3.1914] _cell_length_b [3...
0.797936
N/A
N/A
train
original data
P6_3/mmc
4,027
false
3,218
Hf2 Mn4 Ga2 C4
data_[Hf2Mn4Ga2C4] 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 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 [3.0606] _cell_length_b [3...
0.206354
N/A
N/A
train
original data
P6_3/mmc
5,108
false
4,093
Ti2 P2 W2 C2
data_[Ti2P2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1877] _cell_length_b [3.1877]...
0.797531
N/A
N/A
train
original data
P6_3mc
1,652
false
1,314
Nb4 Ga2 W2 N4
data_[Nb4Ga2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9321] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,210
false
3,370
Ta6 In2 N4
data_[Ta6In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1239] _cell_length_b [3.1239] _cell_length_c [19.7121] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,650
false
2,115
Hf4 V4 As2 C6
data_[Hf4V4As2C6] 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 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 [3.2290] _cell_length_b [3.2...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
5,206
false
5,495
Ti2 Mn2 Pb2 C2
data_[Ti2Mn2Pb2C2] 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_3mc] _cell_length_a [3.1971] _cell_length_b [3.1...
0.202971
N/A
N/A
test
original data
P6_3mc
4,337
false
6,008
Zr4 Mn4 P2 N6
data_[Zr4Mn4P2N6] 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_3/mmc] _cell_length_a [3.1490] _cell_length_b [3.1...
0.272879
N/A
N/A
train
original data
P6_3/mmc
5,556
false
4,453
Nb2 Cr2 In2 N2
data_[Nb2Cr2In2N2] 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 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 [3.1174] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3mc
1,406
false
5,106
Tl2 V2 Cr4 N4
data_[Tl2V2Cr4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0381] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,790
false
2,229
Hf2 Mo2 S2 N2
data_[Hf2Mo2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3436] _cell_length_b [3.343...
1
N/A
N/A
train
original data
P6_3mc
1,352
false
1,073
Ti2 Al2 Mo2 C2
data_[Ti2Al2Mo2C2] 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 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 [3.0302] _cell_length_b [3.0...
0.793375
N/A
N/A
train
original data
P6_3mc
4,378
false
3,507
Mn2 Mo2 As2 N2
data_[Mn2Mo2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0548] _cell_length_b [3.0...
0.250828
N/A
N/A
train
original data
P6_3mc
1,604
false
1,275
Sc2 W2 C2 S2
data_[Sc2W2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2812] _cell_length_b [3.2812]...
0.792398
N/A
N/A
train
original data
P6_3mc
1,640
false
1,304
Zr4 In2 W2 N4
data_[Zr4In2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2039] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
5,925
false
4,743
Ti4 Sn2 Mo4 C6
data_[Ti4Sn2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.1190] _cell_length_b [3...
0.796638
N/A
N/A
validation
original data
P6_3/mmc
3,877
false
5,364
Ta2 Cr2 Sn2 N2
data_[Ta2Cr2Sn2N2] 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 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 [3.1137] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3mc
3,989
false
5,377
Ti4 Nb4 Ge2 C6
data_[Ti4Nb4Ge2C6] 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 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...
0.796604
N/A
N/A
train
original data
P6_3/mmc
4,572
false
3,667
Cr4 Ge2 W4 C6
data_[Cr4Ge2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9794] _cell_length_b [2.9...
0.760313
N/A
N/A
validation
original data
P6_3/mmc
4,304
false
5,405
Sc2 Al2 Cr4 C4
data_[Sc2Al2Cr4C4] 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_3/mmc] _cell_length_a [3.0035] _cell_length_b [3...
0.774854
N/A
N/A
validation
original data
P6_3/mmc
467
false
5,008
Nb2 V2 P2 N2
data_[Nb2V2P2N2] 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_3mc] _cell_length_a [3.1699] _cell_length_b [3.1699]...
1
N/A
N/A
validation
original data
P6_3mc
868
false
5,047
Nb4 Ga2 C2
data_[Nb4Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1435] _cell_length_b [3.1435] _cell_length_c [13.6298] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
236
false
190
Cr4B4
data_[Cr8B8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [2.9005] _cell_length_b [2.9005] _cell_length_c [15.6030] _cell_angle_alpha [90.0000] _cell_an...
0.454545
N/A
null
train
synthetic, MP or NOMAD
I4_1/amd
6
true
4,814
Mn6 Cd2 C4
data_[Mn6Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9343] _cell_length_b [2.9343] _cell_length_c [17.9382] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
963
false
768
Ta8 Ga2 N6
data_[Ta8Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0688] _cell_length_b [3.0688] _cell_length_c [24.3501] ...
0.27975
N/A
N/A
train
original data
P6_3/mmc
3,351
false
2,686
Hf2 Mn2 Cd2 N2
data_[Hf2Mn2Cd2N2] 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 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 [3.1681] _cell_length_b [3.1...
0.236842
N/A
N/A
validation
original data
P6_3mc
4,324
false
5,408
Ta2 Si2 Mo4 C4
data_[Ta2Si2Mo4C4] 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 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...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,217
false
4,177
Sc4 Ta2 Ga2 C4
data_[Sc4Ta2Ga2C4] 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 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 [3.2121] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,991
false
4,792
Zr4 Ti2 Tl2 C4
data_[Zr4Ti2Tl2C4] 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 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 [3.2922] _cell_length_b [3...
0.783883
N/A
N/A
train
original data
P6_3/mmc
1,940
false
1,546
Hf4 Sn2 W4 C6
data_[Hf4Sn2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2224] _cell_length_b [3.2...
0.7973
N/A
N/A
train
original data
P6_3/mmc
2,363
false
1,885
Sc4 As2 W2 C4
data_[Sc4As2W2C4] 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 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 [3.2116] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,099
false
874
Sc2 Si2 W2 C2
data_[Sc2Si2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1377] _cell_length_b [3.137...
0.798068
N/A
N/A
train
original data
P6_3mc
2,783
false
2,226
Hf2 Sc2 Cd2 N2
data_[Hf2Sc2Cd2N2] 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 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 [3.2278] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
1,664
false
5,761
Cr4 Ge2 Mo4 N6
data_[Cr4Ge2Mo4N6] 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 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 [2.9378] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
4,134
false
3,305
Hf4 Sc2 Al2 C4
data_[Hf4Sc2Al2C4] 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 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 [3.2985] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,176
false
2,541
Zr2 V2 Si2 C2
data_[Zr2V2Si2C2] 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 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 [3.1354] _cell_length_b [3.135...
0.79297
N/A
N/A
train
original data
P6_3mc
352
false
283
Hf4 Sc4 Cd2 N6
data_[Hf4Sc4Cd2N6] 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 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 [3.2112] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,461
false
1,157
Zr4 Sc4 Sn2 C6
data_[Zr4Sc4Sn2C6] 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 [3.3707] _cell_length_b [3...
0.795116
N/A
N/A
train
original data
P6_3/mmc
19
false
15
Ta4 Mn4 Tl2 C6
data_[Ta4Mn4Tl2C6] 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_3/mmc] _cell_length_a [3.0930] _cell_length_b [3...
0.203966
N/A
N/A
train
original data
P6_3/mmc
2,904
false
2,320
Mn2 Cr2 Ga2 N2
data_[Mn2Cr2Ga2N2] 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 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 [2.9036] _cell_length_b [2.9...
0.307412
N/A
N/A
train
original data
P6_3mc
2,030
false
1,621
Sc2 Nb2 Cd2 C2
data_[Sc2Nb2Cd2C2] 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 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 [3.2088] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
1,119
false
888
V8 Ge2 C6
data_[V8Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9536] _cell_length_b [2.9536] _cell_length_c [22.1413] _c...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
3,627
false
5,338
Sc4 Mo4 Pb2 N6
data_[Sc4Mo4Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1251] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,779
false
2,224
Hf4 Cr4 Pb2 N6
data_[Hf4Cr4Pb2N6] 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 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 [3.1179] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,533
false
2,824
Hf4 Sc2 Ga2 C4
data_[Hf4Sc2Ga2C4] 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 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 [3.3062] _cell_length_b [3...
0.792926
N/A
N/A
train
original data
P6_3/mmc
1,895
false
1,507
Zr4 Sn2 C2
data_[Zr4Sn2C2] 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 [3.3743] _cell_length_b [3.3743] _cell_length_c [14.7376] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,668
false
2,936
Sc4 Cr4 Sn2 C6
data_[Sc4Cr4Sn2C6] 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 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 [3.1948] _cell_length_b [3...
0.759766
N/A
N/A
train
original data
P6_3/mmc
2,856
false
2,282
Hf2 Cd2 Mo4 N4
data_[Hf2Cd2Mo4N4] 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 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 [3.0885] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,989
false
1,587
Ta6 Si2 N4
data_[Ta6Si2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0296] _cell_length_b [3.0296] _cell_length_c [18.9157] ...
0.257943
N/A
N/A
train
original data
P6_3/mmc
2,944
false
2,352
Cr4 As2 W2 C4
data_[Cr4As2W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1152] _cell_length_b [3.1...
0.763862
N/A
N/A
train
original data
P6_3/mmc
5,619
false
4,500