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
Ti4 C2 S2
data_[Ti4C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1973] _cell_length_b [3.1973] _cell_length_c [11.2791] _c...
0.21676
N/A
N/A
train
original data
P6_3/mmc
4,625
false
3,708
Nb2 W2 S2 N2
data_[Nb2W2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 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 [3.0649] _cell_length_b [3.0649]...
1
N/A
N/A
train
original data
P6_3mc
2,702
false
2,160
Cr4 Ge2 Mo2 C4
data_[Cr4Ge2Mo2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0378] _cell_length_b [3...
0.758293
N/A
N/A
validation
original data
P6_3/mmc
1,350
false
5,101
Zr4 Cr2 Sn2 C4
data_[Zr4Cr2Sn2C4] 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 [3.2432] _cell_length_b [3...
0.769152
N/A
N/A
train
original data
P6_3/mmc
5,030
false
4,025
Ta2 Ge2 Mo4 N4
data_[Ta2Ge2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1490] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,913
false
4,733
Sc4 Ti4 Cd2 N6
data_[Sc4Ti4Cd2N6] 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 [3.1233] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,244
false
5,197
Sc2 Cr4 S2 N4
data_[Sc2Cr4S2N4] 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 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 [3.1344] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
4,727
false
5,451
Sc4 Ga2 C2
data_[Sc4Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2944] _cell_length_b [3.2944] _cell_length_c [14.7013] ...
0.206654
N/A
N/A
train
original data
P6_3/mmc
5,715
false
4,577
Hf4 Ta4 As2 C6
data_[Hf4Ta4As2C6] 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 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 [3.2760] _cell_length_b [3...
0.792686
N/A
N/A
train
original data
P6_3/mmc
128
false
100
Ta2 Cr2 In2 C2
data_[Ta2Cr2In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1179] _cell_length_b [3.1...
0.758592
N/A
N/A
train
original data
P6_3mc
4,128
false
3,299
Zr4 Ti4 P2 N6
data_[Zr4Ti4P2N6] 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 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 [3.1712] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,226
false
4,186
Hf2 Ta2 Al2 C2
data_[Hf2Ta2Al2C2] 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 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 [3.1628] _cell_length_b [3.1...
0.792668
N/A
N/A
train
original data
P6_3mc
2,398
false
1,915
Sc2 Mn2 Tl2 C2
data_[Sc2Mn2Tl2C2] 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 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 [3.1831] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
2,918
false
2,331
Ta2 V4 Pb2 C4
data_[Ta2V4Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [3.1537] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,769
false
3,017
Sc2 Ti4 Al2 N4
data_[Sc2Ti4Al2N4] 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 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 [3.0670] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
3,075
false
5,271
Nb4 V2 Si2 N4
data_[Nb4V2Si2N4] 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 [3.0200] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,157
false
2,524
Hf2 Cr4 C4 S2
data_[Hf2Cr4C4S2] 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 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 [3.1875] _cell_length_b [3.1...
0.763603
N/A
N/A
validation
original data
P6_3/mmc
1,342
false
5,100
Tl2 V4 W2 C4
data_[Tl2V4W2C4] 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 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 [3.0623] _cell_length_b [3.062...
0.792398
N/A
N/A
test
original data
P6_3/mmc
5,711
false
6,144
Sr6B2P2O6
data_[Sr6B2P2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.3085] _cell_length_b [5.308...
0.651996
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
157
true
4,906
Nb4 Tl2 N2
data_[Nb4Tl2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2532] _cell_length_b [3.2532] _cell_length_c [14.0842] ...
0.264404
N/A
N/A
train
original data
P6_3/mmc
5,618
false
4,499
Ti2 Ge2 Mo2 C2
data_[Ti2Ge2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1290] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3mc
3,078
false
2,460
Nb4 Tl2 W4 N6
data_[Nb4Tl2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1003] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,890
false
1,503
Zr4 In2 Mo2 C4
data_[Zr4In2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2799] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,086
false
4,073
Cr4 Ga2 W4 N6
data_[Cr4Ga2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 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 [2.8180] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
607
false
475
Sc2 Mn4 Cd2 C4
data_[Sc2Mn4Cd2C4] 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 [3.0587] _cell_length_b [3...
0.220654
N/A
N/A
train
original data
P6_3/mmc
2,539
false
2,023
Ta4 Nb4 Tl2 N6
data_[Ta4Nb4Tl2N6] 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 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 [3.1032] _cell_length_b [3...
0.990557
N/A
N/A
train
original data
P6_3/mmc
1,738
false
1,380
Zr4 Nb2 Ga2 N4
data_[Zr4Nb2Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1962] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,837
false
3,873
Sc2 V2 Cd2 N2
data_[Sc2V2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0892] _cell_length_b [3.089...
1
N/A
N/A
train
original data
P6_3mc
3,934
false
3,142
Hf6 Al2 N4
data_[Hf6Al2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1795] _cell_length_b [3.1795] _cell_length_c [19.6601] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
4,732
false
3,791
V8 Cd2 C6
data_[V8Cd2C6] 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 [2.9450] _cell_length_b [2.9450] _cell_length_c [23.6550] _c...
0.224398
N/A
N/A
test
original data
P6_3/mmc
5,570
false
6,131
Hf4 Zr2 Tl2 C4
data_[Hf4Zr2Tl2C4] 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 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 [3.3495] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,635
false
4,513
Nb2 Mo4 P2 N4
data_[Nb2Mo4P2N4] 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 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 [3.1485] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
477
false
377
Ta4 Cr4 Pb2 C6
data_[Ta4Cr4Pb2C6] 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 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 [3.0827] _cell_length_b [3...
0.764968
N/A
N/A
train
original data
P6_3/mmc
973
false
777
Mn4 Sn2 W2 N4
data_[Mn4Sn2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 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 [3.0810] _cell_length_b [3.0...
0.244025
N/A
N/A
train
original data
P6_3/mmc
5,142
false
4,119
Nb2 V4 P2 C4
data_[Nb2V4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1024] _cell_length_b [3.102...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,100
false
875
Sc4 V2 In2 N4
data_[Sc4V2In2N4] 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 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 [3.1472] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,815
false
4,653
Ta4 Mo4 As2 N6
data_[Ta4Mo4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.1929] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,713
false
2,972
Sc2 Nb2 P2 N2
data_[Sc2Nb2P2N2] 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_3mc] _cell_length_a [3.2668] _cell_length_b [3.266...
1
N/A
N/A
test
original data
P6_3mc
5,039
false
6,075
Ta4 Mn4 As2 N6
data_[Ta4Mn4As2N6] 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 [3.0114] _cell_length_b [3...
0.255632
N/A
N/A
train
original data
P6_3/mmc
321
false
255
Sc2 Mo4 P2 N4
data_[Sc2Mo4P2N4] 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 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 [3.0774] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
5,764
false
5,548
Hf4 Ta2 Tl2 C4
data_[Hf4Ta2Tl2C4] 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 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 [3.3014] _cell_length_b [3...
0.795379
N/A
N/A
train
original data
P6_3/mmc
855
false
677
Ta2 Ti2 Sn2 N2
data_[Ta2Ti2Sn2N2] 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 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 [3.1929] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
2,516
false
2,005
Hf4 Si2 Mo4 C6
data_[Hf4Si2Mo4C6] 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 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 [3.1747] _cell_length_b [3...
0.797915
N/A
N/A
test
original data
P6_3/mmc
2,091
false
5,799
Sc4 V2 P2 C4
data_[Sc4V2P2C4] 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 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 [3.1499] _cell_length_b [3.149...
0.796901
N/A
N/A
train
original data
P6_3/mmc
449
false
356
Sc2 Nb2 In2 N2
data_[Sc2Nb2In2N2] 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 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 [3.1635] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
28
false
24
Mn4 Pb2 N2
data_[Mn4Pb2N2] 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 [3.1106] _cell_length_b [3.1106] _cell_length_c [13.3554] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
2,082
false
1,663
Sc2 Cr2 Sn2 N2
data_[Sc2Cr2Sn2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1395] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,708
false
2,968
Ta2 Ga2 Mo4 C4
data_[Ta2Ga2Mo4C4] 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 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 [3.0818] _cell_length_b [3...
0.797562
N/A
N/A
train
original data
P6_3/mmc
2,909
false
2,324
Cr4 In2 Mo2 N4
data_[Cr4In2Mo2N4] 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 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 [3.0739] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,373
false
1,088
Hf8 Pb2 C6
data_[Hf8Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.3386] _cell_length_b [3.3386] _cell_length_c [25.3615] ...
0.213789
N/A
N/A
train
original data
P6_3/mmc
546
false
422
Zr4 V2 P2 N4
data_[Zr4V2P2N4] 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 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 [3.2803] _cell_length_b [3.280...
1
N/A
N/A
test
original data
P6_3/mmc
4,906
false
6,061
Hf8 Si2 N6
data_[Hf8Si2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2044] _cell_length_b [3.2044] _cell_length_c [23.8712] ...
0.295399
N/A
N/A
validation
original data
P6_3/mmc
680
false
5,030
Cr4 Sn2 Mo2 N4
data_[Cr4Sn2Mo2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1089] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,423
false
1,938
Sc4 Nb4 Pb2 N6
data_[Sc4Nb4Pb2N6] 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 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 [3.2074] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
461
false
367
Sc2 V2 Ge2 N2
data_[Sc2V2Ge2N2] 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_3mc] _cell_length_a [3.0674] _cell_length_b [3.067...
1
N/A
N/A
train
original data
P6_3mc
2,365
false
1,887
Cr8 As2 N6
data_[Cr8As2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9731] _cell_length_b [2.9731] _cell_length_c [20.3742] ...
0.259687
N/A
N/A
train
original data
P6_3/mmc
3,841
false
3,070
Al2 Mo4 N2
data_[Al2Mo4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8572] _cell_length_b [2.8572] _cell_length_c [14.5545] ...
0.278346
N/A
N/A
validation
original data
P6_3/mmc
2,784
false
5,248
Mn4 As2 W4 N6
data_[Mn4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8665] _cell_length_b [2.8...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,538
false
1,221
Sc2 Ti4 C4 S2
data_[Sc2Ti4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2354] _cell_length_b [3.2...
0.794471
N/A
N/A
test
original data
P6_3/mmc
5,982
false
6,178
Hf2 Nb4 C4 S2
data_[Hf2Nb4C4S2] 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_3/mmc] _cell_length_a [3.2360] _cell_length_b [3.2...
0.797124
N/A
N/A
train
original data
P6_3/mmc
1,049
false
835
Ti2 Ge2 Mo4 N4
data_[Ti2Ge2Mo4N4] 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_3/mmc] _cell_length_a [3.0378] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,234
false
2,588
Ti2 V4 P2 N4
data_[Ti2V4P2N4] 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 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 [2.9891] _cell_length_b [2.989...
1
N/A
N/A
train
original data
P6_3/mmc
5,983
false
4,786
Zr6 Si2 C4
data_[Zr6Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3416] _cell_length_b [3.3416] _cell_length_c [18.8810] ...
0.220459
N/A
N/A
train
original data
P6_3/mmc
1,904
false
1,516
Ti4 V4 Ge2 N6
data_[Ti4V4Ge2N6] 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 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9873] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
530
false
5,018
Ta8 Sn2 C6
data_[Ta8Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1814] _cell_length_b [3.1814] _cell_length_c [24.6169] ...
0.19983
N/A
N/A
test
original data
P6_3/mmc
3,686
false
5,944
Ta2 V2 Sn2 C2
data_[Ta2V2Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [3.1824] _cell_length_b [3.182...
0.794929
N/A
N/A
train
original data
P6_3mc
2,086
false
1,666
Zr2 Mn4 Ga2 N4
data_[Zr2Mn4Ga2N4] 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 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 [3.1723] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,889
false
3,108
Ta4 Cd2 Mo4 C6
data_[Ta4Cd2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1292] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
653
false
516
Ti4 V4 Sn2 C6
data_[Ti4V4Sn2C6] 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 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 [3.0570] _cell_length_b [3.0...
0.795527
N/A
N/A
validation
original data
P6_3/mmc
4,998
false
5,479
V2 Cr2 Cd2 N2
data_[V2Cr2Cd2N2] 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_3mc] _cell_length_a [2.9287] _cell_length_b [2.928...
1
N/A
N/A
train
original data
P6_3mc
4,148
false
3,317
Tl2 V4 Cr4 N6
data_[Tl2V4Cr4N6] 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 [2.9961] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
1,888
false
1,502
Hf2 Zr2 As2 C2
data_[Hf2Zr2As2C2] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.4488] _cell_length_b [3.4...
0.792398
N/A
N/A
validation
original data
P6_3mc
2,153
false
5,185
B2Ge6Nb10
data_[Nb20Ge12B4] 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 [Cmcm] _cell_length_a [13.4385] _cell_length_b [7.7582] _cell_length_c [5.3586] _c...
0.608678
N/A
null
train
synthetic, MP or NOMAD
P6_3/mcm
153
true
4,902
Ti2 Cr4 S2 N4
data_[Ti2Cr4S2N4] 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 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 [2.9781] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,757
false
3,811
Sc2 V2 Sn2 C2
data_[Sc2V2Sn2C2] 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 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 [3.1902] _cell_length_b [3.190...
0.792398
N/A
N/A
train
original data
P6_3mc
2,605
false
2,078
Zr2 Cr4 In2 N4
data_[Zr2Cr4In2N4] 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 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 [3.1187] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,846
false
1,471
Nb4 V4 In2 N6
data_[Nb4V4In2N6] 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 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 [3.1047] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,439
false
1,141
Ta2 Ti4 S2 N4
data_[Ta2Ti4S2N4] 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 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 [3.1387] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,218
false
964
Nb2 V2 Cd2 C2
data_[Nb2V2Cd2C2] 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 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 [3.0840] _cell_length_b [3.084...
0.795673
N/A
N/A
train
original data
P6_3mc
3,221
false
2,576
Ti2 Ga2 Mo2 N2
data_[Ti2Ga2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0480] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3mc
5,480
false
5,519
Al2 Cr4 W2 C4
data_[Al2Cr4W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0002] _cell_length_b [3.0...
0.758589
N/A
N/A
train
original data
P6_3/mmc
2,267
false
1,803
Ta4 V4 As2 N6
data_[Ta4V4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [3.0353] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,147
false
909
Sc2 P2 W4 C4
data_[Sc2P2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 P 2.1900 1.0000 0.5500 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 [3.1519] _cell_length_b [3.151...
0.794942
N/A
N/A
train
original data
P6_3/mmc
5,171
false
4,144
Mn2 V4 In2 C4
data_[Mn2V4In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0016] _cell_length_b [3.0...
0.205526
N/A
N/A
train
original data
P6_3/mmc
2,929
false
2,338
Zr4 Ti4 Ga2 C6
data_[Zr4Ti4Ga2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2125] _cell_length_b [3...
0.790599
N/A
N/A
train
original data
P6_3/mmc
3,066
false
2,451
Zr4 Ti2 Tl2 N4
data_[Zr4Ti2Tl2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2172] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,080
false
859
Hf2 Sn2 Mo4 N4
data_[Hf2Sn2Mo4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1664] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,410
false
2,730
Ta2 Mn4 Tl2 C4
data_[Ta2Mn4Tl2C4] 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 [3.0991] _cell_length_b [3...
0.210718
N/A
N/A
train
original data
P6_3/mmc
5,131
false
4,110
Ti2 Al2 Mo4 N4
data_[Ti2Al2Mo4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9879] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
3,725
false
5,951
Mn4 Mo4 P2 N6
data_[Mn4Mo4P2N6] 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 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 [2.9295] _cell_length_b [2.9...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,394
false
1,106
Nb2 V2 S2 N2
data_[Nb2V2S2N2] 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 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 [3.2128] _cell_length_b [3.2128]...
1
N/A
N/A
train
original data
P6_3mc
2,556
false
2,036
Ta2 Ti4 Cd2 N4
data_[Ta2Ti4Cd2N4] 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 [3.0881] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,542
false
1,225
Sc4 Ti2 Ga2 C4
data_[Sc4Ti2Ga2C4] 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 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 [3.1902] _cell_length_b [3...
0.792398
N/A
N/A
test
original data
P6_3/mmc
5,966
false
6,175
Hf2 Mo4 Pb2 C4
data_[Hf2Mo4Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2411] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,319
false
3,459
Mn4 Cd2 W4 C6
data_[Mn4Cd2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9930] _cell_length_b [2.9...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,635
false
2,909
V2 Cd2 Mo2 N2
data_[V2Cd2Mo2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0316] _cell_length_b [3.031...
1
N/A
N/A
train
original data
P6_3mc
687
false
543
Zr4 Nb2 Ga2 C4
data_[Zr4Nb2Ga2C4] 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 [3.2914] _cell_length_b [3...
0.797012
N/A
N/A
train
original data
P6_3/mmc
5,799
false
4,641
Hf4 Mn4 Tl2 C6
data_[Hf4Mn4Tl2C6] 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 [3.1957] _cell_length_b [3...
0.215177
N/A
N/A
test
original data
P6_3/mmc
1,864
false
5,781
Sc4 W2 S2 N4
data_[Sc4W2S2N4] 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 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 [3.2654] _cell_length_b [3.265...
1
N/A
N/A
train
original data
P6_3/mmc
5,630
false
4,508
V2 Cr2 As2 N2
data_[V2Cr2As2N2] 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 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 [3.0485] _cell_length_b [3.048...
1
N/A
N/A
train
original data
P6_3mc
1,314
false
1,042