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
Mn4 Nb2 Pb2 C4
data_[Mn4Nb2Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1447] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
223
false
179
Ti4 Sn2 Mo2 C4
data_[Ti4Sn2Mo2C4] 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 [3.1537] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
68
false
54
V2 Pb2 W4 C4
data_[V2Pb2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0968] _cell_length_b [3.096...
0.79309
N/A
N/A
train
original data
P6_3/mmc
4,053
false
3,237
Zr8 In2 N6
data_[Zr8In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2672] _cell_length_b [3.2672] _cell_length_c [25.7001] ...
0.256296
N/A
N/A
train
original data
P6_3/mmc
1,592
false
1,264
Si2 Mo2 W2 N2
data_[Si2Mo2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9066] _cell_length_b [2.906...
1
N/A
N/A
train
original data
P6_3mc
2,966
false
2,367
Ti4 Mo2 P2 N4
data_[Ti4Mo2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 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 [3.1212] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
4,818
false
5,463
Sr12Be4B24O52
data_[Sr12Be4B24O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.9115] _cell_length_b [10....
0.349881
N/A
null
train
synthetic, MP or NOMAD
Pnma
193
true
4,917
Al2 V4 W4 C6
data_[Al2V4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 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 [2.9774] _cell_length_b [2.977...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,770
false
2,216
Ta4 Ti4 Sn2 C6
data_[Ta4Ti4Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1213] _cell_length_b [3...
0.795266
N/A
N/A
validation
original data
P6_3/mmc
1,472
false
5,114
Nb4 V2 Ge2 C4
data_[Nb4V2Ge2C4] 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 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 [3.0934] _cell_length_b [3.0...
0.795699
N/A
N/A
train
original data
P6_3/mmc
3,854
false
3,081
Sc4 Cd2 W4 N6
data_[Sc4Cd2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0336] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,090
false
1,669
V4 Mo4 As2 N6
data_[V4Mo4As2N6] 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 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 [2.9763] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
793
false
630
V4 Cr2 As2 N4
data_[V4Cr2As2N4] 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_3/mmc] _cell_length_a [2.9722] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,945
false
4,759
Ti8 Sn2 N6
data_[Ti8Sn2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0473] _cell_length_b [3.0473] _cell_length_c [23.7327] ...
0.304358
N/A
N/A
train
original data
P6_3/mmc
1,857
false
1,477
Zr2 Cr4 In2 C4
data_[Zr2Cr4In2C4] 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 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...
0.756528
N/A
N/A
validation
original data
P6_3/mmc
989
false
5,058
Mn8 Pb2 N6
data_[Mn8Pb2N6] 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 [3.0045] _cell_length_b [3.0045] _cell_length_c [21.9198] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,856
false
3,888
V4 As2 W2 N4
data_[V4As2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0607] _cell_length_b [3.060...
1
N/A
N/A
train
original data
P6_3/mmc
5,551
false
4,450
Ta4 Mn2 Ge2 C4
data_[Ta4Mn2Ge2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1177] _cell_length_b [3...
0.205196
N/A
N/A
validation
original data
P6_3/mmc
5,657
false
5,540
Mo8 S2 N6
data_[Mo8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9062] _cell_length_b [2.9062] _cell_length_c [24.3374] _c...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,871
false
4,699
Nb4 Tl2 V2 C4
data_[Nb4Tl2V2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1189] _cell_length_b [3.1...
0.79708
N/A
N/A
train
original data
P6_3/mmc
5,953
false
4,766
Ta8 Tl2 N6
data_[Ta8Tl2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0970] _cell_length_b [3.0970] _cell_length_c [25.4112] ...
0.292094
N/A
N/A
train
original data
P6_3/mmc
4,792
false
3,837
V4 In2 Mo4 C6
data_[V4In2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0211] _cell_length_b [3.0...
0.797015
N/A
N/A
train
original data
P6_3/mmc
1,222
false
967
Ta4 Nb2 Pb2 N4
data_[Ta4Nb2Pb2N4] 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 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 [3.1737] _cell_length_b [3...
0.988606
N/A
N/A
train
original data
P6_3/mmc
2,729
false
2,183
Sc2 Ti2 Sn2 N2
data_[Sc2Ti2Sn2N2] 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 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 [3.1932] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
2,285
false
1,820
Hf4 Nb4 Cd2 N6
data_[Hf4Nb4Cd2N6] 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 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 [3.1941] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,243
false
5,813
Hf4 Mn2 P2 N4
data_[Hf4Mn2P2N4] 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 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 [3.2703] _cell_length_b [3.2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
724
false
574
Ta4 Tl2 V2 C4
data_[Ta4Tl2V2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1151] _cell_length_b [3.1...
0.796644
N/A
N/A
validation
original data
P6_3/mmc
3,899
false
5,368
Mn2 Nb4 Cd2 C4
data_[Mn2Nb4Cd2C4] 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 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 [3.1405] _cell_length_b [3...
0.216792
N/A
N/A
train
original data
P6_3/mmc
1,422
false
1,128
SrB4Pt6
data_[Sr1B4Pt6] 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 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.1668] _cell_length_b [6.1668] _cell_length_c [5.2729] _cel...
0.630624
N/A
null
train
synthetic, MP or NOMAD
P-3m1
174
true
4,911
Sc2 Sn2 Mo2 N2
data_[Sc2Sn2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 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 [3.2385] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
4,941
false
3,954
Zr2 W2 C2 S2
data_[Zr2W2C2S2] 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_3mc] _cell_length_a [3.3327] _cell_length_b [3.3327]...
0.792398
N/A
N/A
train
original data
P6_3mc
3,611
false
2,888
Zr4 Cr4 Ge2 N6
data_[Zr4Cr4Ge2N6] 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 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 [3.1466] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,600
false
2,073
Sc2 Nb4 Sn2 N4
data_[Sc2Nb4Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1132] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
263
false
207
V4 Mo2 P2 N4
data_[V4Mo2P2N4] 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 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 [3.0273] _cell_length_b [3.027...
1
N/A
N/A
train
original data
P6_3/mmc
5,231
false
4,190
Al2 V2 W2 C2
data_[Al2V2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 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_3mc] _cell_length_a [2.9654] _cell_length_b [2.9654]...
0.792398
N/A
N/A
train
original data
P6_3mc
4,193
false
3,355
Hf2 Cr4 As2 N4
data_[Hf2Cr4As2N4] 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 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 [3.1794] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,234
false
3,390
Ti4 Mn4 Ga2 C6
data_[Ti4Mn4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9847] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,508
false
1,197
Nb6As2C2
data_[Nb6As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [3.3612] _cell_length_b [8.2421] _cell_length_c [5.7042] _ce...
0.516783
N/A
null
train
synthetic, MP or NOMAD
P2_1/m
1
false
4,810
Ti2 Tl2 Cr2 N2
data_[Ti2Tl2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1464] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,111
false
2,487
Ta2 Nb2 S2 N2
data_[Ta2Nb2S2N2] 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 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 [3.1166] _cell_length_b [3.116...
0.996477
N/A
N/A
train
original data
P6_3mc
398
false
317
Zr2 Cr2 Cd2 C2
data_[Zr2Cr2Cd2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1415] _cell_length_b [3.1...
0.762374
N/A
N/A
train
original data
P6_3mc
870
false
690
Zr4 V2 Ge2 C4
data_[Zr4V2Ge2C4] 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 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 [3.2177] _cell_length_b [3.2...
0.796424
N/A
N/A
train
original data
P6_3/mmc
3,810
false
3,047
Sc2 Mn4 S2 N4
data_[Sc2Mn4S2N4] 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 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 [3.1642] _cell_length_b [3.1...
0.282099
N/A
N/A
train
original data
P6_3/mmc
5,126
false
4,106
Nb2 Mo4 P2 C4
data_[Nb2Mo4P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1374] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,131
false
1,699
Sc2 Cr2 Sn2 C2
data_[Sc2Cr2Sn2C2] 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_3mc] _cell_length_a [3.2120] _cell_length_b [3.2...
0.755117
N/A
N/A
train
original data
P6_3mc
5,038
false
4,032
Nb4 Sn2 W4 N6
data_[Nb4Sn2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1284] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
18
false
14
Zr4 Ga2 W4 N6
data_[Zr4Ga2W4N6] 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_3/mmc] _cell_length_a [3.1975] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,289
false
1,823
Hf2 Nb2 Tl2 N2
data_[Hf2Nb2Tl2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2620] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
215
false
172
Ta2 Mn2 Ga2 N2
data_[Ta2Mn2Ga2N2] 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 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 [3.0098] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3mc
3,797
false
3,038
Sc4 Cr2 Pb2 C4
data_[Sc4Cr2Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1921] _cell_length_b [3...
0.762629
N/A
N/A
train
original data
P6_3/mmc
337
false
269
V4 P2 W2 C4
data_[V4P2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0605] _cell_length_b [3.0605]...
0.795588
N/A
N/A
train
original data
P6_3/mmc
2,868
false
2,292
Nb4 V2 P2 N4
data_[Nb4V2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0993] _cell_length_b [3.099...
1
N/A
N/A
train
original data
P6_3/mmc
3,626
false
2,901
Ti4 V2 Si2 N4
data_[Ti4V2Si2N4] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9602] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
487
false
385
Zr2 Mn2 In2 N2
data_[Zr2Mn2In2N2] 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 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 [3.1414] _cell_length_b [3.1...
0.307412
N/A
N/A
train
original data
P6_3mc
4,380
false
3,509
B6Co2W6
data_[Co4B12W12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.1682] _cell_length_b [8.4225] _cell_length_c [10.7389] _cel...
0.893209
N/A
null
train
synthetic, MP or NOMAD
Cmcm
217
true
4,926
Hf4 In2 Mo4 N6
data_[Hf4In2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2083] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
997
false
799
Sc4 Mn4 Si2 N6
data_[Sc4Mn4Si2N6] 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 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 [3.0128] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
1,892
false
5,156
Mn4 Nb4 In2 C6
data_[Mn4Nb4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0758] _cell_length_b [3...
0.211447
N/A
N/A
train
original data
P6_3/mmc
1,831
false
1,459
Hf4 Ta4 S2 N6
data_[Hf4Ta4S2N6] 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 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 [3.1665] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
2,610
false
5,233
Sc4 Ta2 Tl2 C4
data_[Sc4Ta2Tl2C4] 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 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 [3.2551] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,198
false
3,360
Sc2 Cr2 Pb2 C2
data_[Sc2Cr2Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2160] _cell_length_b [3.2...
0.76457
N/A
N/A
train
original data
P6_3mc
3,183
false
2,546
Ta2 Tl2 V2 N2
data_[Ta2Tl2V2N2] 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_3mc] _cell_length_a [3.1402] _cell_length_b [3.140...
1
N/A
N/A
test
original data
P6_3mc
1,370
false
5,733
V4 Cr2 Si2 C4
data_[V4Cr2Si2C4] 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 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 [2.9161] _cell_length_b [2.9...
0.76712
N/A
N/A
validation
original data
P6_3/mmc
5,888
false
5,562
Sc2 Cr4 As2 C4
data_[Sc2Cr4As2C4] 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 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 [3.1090] _cell_length_b [3...
0.76483
N/A
N/A
train
original data
P6_3/mmc
5,702
false
4,569
In2 Mo4 C2
data_[In2Mo4C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1268] _cell_length_b [3.1268] _cell_length_c [13.9981] ...
0.219626
N/A
N/A
train
original data
P6_3/mmc
3,672
false
2,940
Hf4 Ta2 P2 C4
data_[Hf4Ta2P2C4] 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 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 [3.3305] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,007
false
1,603
Sc8 Si2 C6
data_[Sc8Si2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2790] _cell_length_b [3.2790] _cell_length_c [25.0836] ...
0.216623
N/A
N/A
train
original data
P6_3/mmc
3,179
false
2,542
Hf2 Sc4 Cd2 C4
data_[Hf2Sc4Cd2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2975] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,878
false
2,299
Hf2 Ta2 Ge2 N2
data_[Hf2Ta2Ge2N2] 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_3mc] _cell_length_a [3.2767] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
3,026
false
5,892
Zr4 Sc4 P2 C6
data_[Zr4Sc4P2C6] 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 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 [3.3337] _cell_length_b [3.3...
0.796615
N/A
N/A
train
original data
P6_3/mmc
460
false
366
Hf2 Mo2 P2 N2
data_[Hf2Mo2P2N2] 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 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 [3.3190] _cell_length_b [3.319...
1
N/A
N/A
train
original data
P6_3mc
2,406
false
1,923
Mn4 Nb4 Ge2 N6
data_[Mn4Nb4Ge2N6] 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 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 [3.1194] _cell_length_b [3...
0.270866
N/A
N/A
validation
original data
P6_3/mmc
1,607
false
5,128
Ta4 Nb2 S2 N4
data_[Ta4Nb2S2N4] 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 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 [3.1081] _cell_length_b [3.1...
0.992962
N/A
N/A
train
original data
P6_3/mmc
2,667
false
2,129
Ti2 V2 Ge2 C2
data_[Ti2V2Ge2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0310] _cell_length_b [3.031...
0.792945
N/A
N/A
train
original data
P6_3mc
1,746
false
1,387
Mn2 As2 W4 N4
data_[Mn2As2W4N4] 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 [2.9437] _cell_length_b [2.9...
0.237855
N/A
N/A
train
original data
P6_3/mmc
4,485
false
3,594
Hf2 Mn4 Si2 C4
data_[Hf2Mn4Si2C4] 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 [3.0802] _cell_length_b [3...
0.226227
N/A
N/A
train
original data
P6_3/mmc
3,447
false
2,759
Nb2 V2 Ge2 C2
data_[Nb2V2Ge2C2] 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 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 [3.1262] _cell_length_b [3.126...
0.794417
N/A
N/A
train
original data
P6_3mc
4,099
false
3,275
Ta4 Al2 V2 N4
data_[Ta4Al2V2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9844] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
292
false
4,993
Mn4 Pb2 W2 C4
data_[Mn4Pb2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1210] _cell_length_b [3.1...
0.220178
N/A
N/A
train
original data
P6_3/mmc
5,219
false
4,179
Nb4 In2 C2
data_[Nb4In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1884] _cell_length_b [3.1884] _cell_length_c [14.5170] ...
0.20879
N/A
N/A
train
original data
P6_3/mmc
2,551
false
2,034
Sc4 Ti2 S2 N4
data_[Sc4Ti2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2211] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
3,281
false
2,629
V2 Cr2 In2 N2
data_[V2Cr2In2N2] 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 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 [3.0720] _cell_length_b [3.072...
1
N/A
N/A
train
original data
P6_3mc
4,631
false
3,714
Ta2 Ge2 W2 N2
data_[Ta2Ge2W2N2] 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 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 [3.0438] _cell_length_b [3.043...
0.989656
N/A
N/A
train
original data
P6_3mc
3,213
false
2,568
Cr2 Ge2 W4 C4
data_[Cr2Ge2W4C4] 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 [3.0317] _cell_length_b [3.0...
0.774854
N/A
N/A
train
original data
P6_3/mmc
5,827
false
4,663
Nb4 V2 Cd2 N4
data_[Nb4V2Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0319] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3/mmc
996
false
5,691
Hf4 V4 Si2 C6
data_[Hf4V4Si2C6] 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 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 [3.1287] _cell_length_b [3.1...
0.792784
N/A
N/A
validation
original data
P6_3/mmc
1,916
false
5,158
Hf4 Ga2 W4 N6
data_[Hf4Ga2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1859] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3/mmc
4,899
false
6,059
V6 Ge2 C4
data_[V6Ge2C4] 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 [2.9651] _cell_length_b [2.9651] _cell_length_c [17.2420] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,182
false
2,545
Zr2 Tl2 V4 C4
data_[Zr2Tl2V4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1648] _cell_length_b [3.1...
0.795821
N/A
N/A
train
original data
P6_3/mmc
5,342
false
4,276
V4 Mo4 S2 N6
data_[V4Mo4S2N6] 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 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 [2.9275] _cell_length_b [2.927...
1
N/A
N/A
validation
original data
P6_3/mmc
1,848
false
5,148
Ta4 Nb2 Ge2 N4
data_[Ta4Nb2Ge2N4] 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 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 [3.0403] _cell_length_b [3...
0.983748
N/A
N/A
test
original data
P6_3/mmc
2,408
false
5,825
Nb6Ni2B14
data_[Nb12Ni4B28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2091] _cell_length_b [14.4891] _cell_length_c [8.7823] _c...
0.452523
N/A
null
train
synthetic, MP or NOMAD
Cmcm
114
true
4,876
Mn2 Mo4 P2 C4
data_[Mn2Mo4P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0586] _cell_length_b [3.0...
0.211716
N/A
N/A
train
original data
P6_3/mmc
5,504
false
4,410
Mn4 Cr2 Pb2 C4
data_[Mn4Cr2Pb2C4] 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 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 [3.0476] _cell_length_b [3...
0.173331
N/A
N/A
train
original data
P6_3/mmc
1,211
false
957
Ti2 Cr4 Ge2 C4
data_[Ti2Cr4Ge2C4] 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 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 [2.9808] _cell_length_b [2...
0.755117
N/A
N/A
validation
original data
P6_3/mmc
1,665
false
5,132
Zr2 Ta2 Ga2 N2
data_[Zr2Ta2Ga2N2] 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 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 [3.1474] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
1,456
false
1,152
Zr2 Sc4 Ge2 N4
data_[Zr2Sc4Ge2N4] 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 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 [3.2440] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,566
false
4,461
Ti2 Ga2 Mo4 C4
data_[Ti2Ga2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0065] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,255
false
4,209
Hf2 Nb2 Al2 C2
data_[Hf2Nb2Al2C2] 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 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 [3.1753] _cell_length_b [3.1...
0.793259
N/A
N/A
test
original data
P6_3mc
1,012
false
5,694
Ta4 W4 S2 N6
data_[Ta4W4S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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_3/mmc] _cell_length_a [3.0776] _cell_length_b [3.077...
0.991422
N/A
N/A
train
original data
P6_3/mmc
1,492
false
1,182