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
Hf2 In2 Mo4 C4
data_[Hf2In2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1255] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,776
false
3,824
Ta4 Nb4 S2 N6
data_[Ta4Nb4S2N6] 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 [3.1398] _cell_length_b [3.1...
0.995885
N/A
N/A
validation
original data
P6_3/mmc
3,919
false
5,370
Mn4 Tl2 Mo2 N4
data_[Mn4Tl2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 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 [3.2049] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
2,976
false
5,264
Sc4 V2 Pb2 N4
data_[Sc4V2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1991] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,323
false
2,662
Mn4 Nb2 In2 N4
data_[Mn4Nb2In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0791] _cell_length_b [3...
0.257058
N/A
N/A
train
original data
P6_3/mmc
23
false
19
Ta2 Nb4 Tl2 N4
data_[Ta2Nb4Tl2N4] 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 [3.1504] _cell_length_b [3...
0.991619
N/A
N/A
train
original data
P6_3/mmc
601
false
469
Mn4 Ge2 W4 C6
data_[Mn4Ge2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 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 [3.0622] _cell_length_b [3.0...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,320
false
1,048
Hf2 Ta2 In2 N2
data_[Hf2Ta2In2N2] 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 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 [3.1860] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3mc
5,201
false
6,093
Ta2 Cr4 P2 C4
data_[Ta2Cr4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1113] _cell_length_b [3.1...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,536
false
2,020
Mn4 Cd2 W2 C4
data_[Mn4Cd2W2C4] 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 [3.0122] _cell_length_b [3.0...
0.2276
N/A
N/A
train
original data
P6_3/mmc
3,170
false
2,535
Cr2 In2 Mo2 C2
data_[Cr2In2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0490] _cell_length_b [3.0...
0.764255
N/A
N/A
train
original data
P6_3mc
1,225
false
969
Zr4 Sc2 In2 C4
data_[Zr4Sc2In2C4] 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 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 [3.3592] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,166
false
4,139
Nb4 Sn2 Mo2 C4
data_[Nb4Sn2Mo2C4] 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 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 [3.1864] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
967
false
772
Ta2 Nb2 Al2 N2
data_[Ta2Nb2Al2N2] 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 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9890] _cell_length_b [2.9...
0.994902
N/A
N/A
train
original data
P6_3mc
4,101
false
3,277
V4 Cr2 Cd2 N4
data_[V4Cr2Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9083] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
4,923
false
5,471
V4 Mo2 Pb2 C4
data_[V4Mo2Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1249] _cell_length_b [3.1...
0.792445
N/A
N/A
train
original data
P6_3/mmc
4,628
false
3,711
Zr2 V2 Sn2 C2
data_[Zr2V2Sn2C2] 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 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 [3.2516] _cell_length_b [3.251...
0.795319
N/A
N/A
train
original data
P6_3mc
1,807
false
1,438
V2 Ga2 Mo4 N4
data_[V2Ga2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 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 [2.9099] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
2,706
false
2,163
Hf2 W4 S2 N4
data_[Hf2W4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1286] _cell_length_b [3.128...
1
N/A
N/A
train
original data
P6_3/mmc
3,168
false
2,533
Hf4 Mn4 Ge2 N6
data_[Hf4Mn4Ge2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0937] _cell_length_b [3...
0.255954
N/A
N/A
train
original data
P6_3/mmc
1,397
false
1,108
Mn4 Cd2 Mo4 C6
data_[Mn4Cd2Mo4C6] 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 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 [3.0026] _cell_length_b [3...
0.217042
N/A
N/A
validation
original data
P6_3/mmc
4,453
false
5,419
In2 Mo6 N4
data_[In2Mo6N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8885] _cell_length_b [2.8885] _cell_length_c [21.1763] ...
0.289038
N/A
N/A
train
original data
P6_3/mmc
1,860
false
1,479
Hf4 Sc2 P2 C4
data_[Hf4Sc2P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3809] _cell_length_b [3.3...
0.796155
N/A
N/A
validation
original data
P6_3/mmc
5,832
false
5,554
Ti2 Mn2 Tl2 C2
data_[Ti2Mn2Tl2C2] 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 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 [3.1440] _cell_length_b [3.1...
0.207096
N/A
N/A
train
original data
P6_3mc
1,339
false
1,063
Al2Ni18B16
data_[Al4Ni36B32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.0694] _cell_length_b [7.9919] _cell_length_c [10.6693] _c...
0.874173
N/A
null
train
synthetic, MP or NOMAD
Cmcm
69
true
4,843
Zr4 Sc2 Tl2 N4
data_[Zr4Sc2Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2925] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
5,511
false
6,126
Zr4 Sc4 Pb2 N6
data_[Zr4Sc4Pb2N6] 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 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 [3.2412] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,811
false
3,048
V4 Mo2 As2 C4
data_[V4Mo2As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0933] _cell_length_b [3.0...
0.795776
N/A
N/A
test
original data
P6_3/mmc
5,188
false
6,091
Ti4 Tl2 Mo4 C6
data_[Ti4Tl2Mo4C6] 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 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 [3.1089] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,605
false
2,885
Mn2 Cr2 As2 N2
data_[Mn2Cr2As2N2] 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 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 [2.9893] _cell_length_b [2.9...
0.277294
N/A
N/A
train
original data
P6_3mc
5,065
false
4,055
Sc2 Mo4 Pb2 N4
data_[Sc2Mo4Pb2N4] 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 [3.1046] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,737
false
2,188
Ti2 V2 Si2 N2
data_[Ti2V2Si2N2] 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_3mc] _cell_length_a [2.9763] _cell_length_b [2.976...
1
N/A
N/A
train
original data
P6_3mc
1,950
false
1,556
V4 Cr2 Pb2 C4
data_[V4Cr2Pb2C4] 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 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 [3.0678] _cell_length_b [3.0...
0.756483
N/A
N/A
train
original data
P6_3/mmc
3,880
false
3,103
Si2 Mo8 N6
data_[Si2Mo8N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8431] _cell_length_b [2.8431] _cell_length_c [25.6644] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,241
false
3,397
Zr2 Cr4 Pb2 N4
data_[Zr2Cr4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1899] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,867
false
4,696
Cr4 Si2 Mo4 C6
data_[Cr4Si2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.9618] _cell_length_b [2...
0.76648
N/A
N/A
train
original data
P6_3/mmc
353
false
284
Mn2 Ga2 W2 C2
data_[Mn2Ga2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9751] _cell_length_b [2.975...
0.19983
N/A
N/A
train
original data
P6_3mc
2,953
false
2,359
Hf4 Sc4 S2 N6
data_[Hf4Sc4S2N6] 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 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 [3.2226] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
5,140
false
4,117
Zr2 Mo4 P2 N4
data_[Zr2Mo4P2N4] 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 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 [3.1726] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
1,881
false
5,155
Cr2 Sn2 Mo2 N2
data_[Cr2Sn2Mo2N2] 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_3mc] _cell_length_a [3.1017] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3mc
4,733
false
6,042
Sc2 Ga2 Mo2 C2
data_[Sc2Ga2Mo2C2] 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 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 [3.1049] _cell_length_b [3.1...
0.796632
N/A
N/A
train
original data
P6_3mc
2,975
false
2,375
Hf4 Zr4 C6 S2
data_[Hf4Zr4C6S2] 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 [3.3737] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,321
false
1,850
Hf2 Cd2 W2 C2
data_[Hf2Cd2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1521] _cell_length_b [3.152...
0.792398
N/A
N/A
train
original data
P6_3mc
2,330
false
1,856
Mn2 P2 W4 N4
data_[Mn2P2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9570] _cell_length_b [2.957...
0.285666
N/A
N/A
test
original data
P6_3/mmc
5,193
false
6,092
Ti4 Mn2 In2 C4
data_[Ti4Mn2In2C4] 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 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 [3.0925] _cell_length_b [3...
0.219519
N/A
N/A
test
original data
P6_3/mmc
5,552
false
6,127
Sc4 Nb4 As2 C6
data_[Sc4Nb4As2C6] 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 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 [3.2864] _cell_length_b [3...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
2,233
false
5,195
Ta4 Ti2 Tl2 N4
data_[Ta4Ti2Tl2N4] 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 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 [3.0509] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,631
false
4,509
Zr4 V2 S2 N4
data_[Zr4V2S2N4] 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 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 [3.1911] _cell_length_b [3.191...
1
N/A
N/A
test
original data
P6_3/mmc
4,791
false
6,048
Hf2 Cr4 Ga2 N4
data_[Hf2Cr4Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0435] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,149
false
3,318
Nb2 Ga2 Mo2 N2
data_[Nb2Ga2Mo2N2] 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 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9673] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3mc
5,544
false
4,443
Tl2 Cr4 W4 C6
data_[Tl2Cr4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [3.0821] _cell_length_b [3.0...
0.757655
N/A
N/A
train
original data
P6_3/mmc
839
false
664
Fe4B4Pb4O16
data_[Fe4B4Pb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.0044] _cell_length_b [5.9734...
0.369835
N/A
null
train
synthetic, MP or NOMAD
Pnma
255
true
4,943
Zr4 Cr4 Cd2 C6
data_[Zr4Cr4Cd2C6] 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_3/mmc] _cell_length_a [3.0946] _cell_length_b [3...
0.764403
N/A
N/A
train
original data
P6_3/mmc
41
false
34
Ti2 Cr2 P2 C2
data_[Ti2Cr2P2C2] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0880] _cell_length_b [3.088...
0.761234
N/A
N/A
train
original data
P6_3mc
156
false
123
Hf2 Sc2 Si2 N2
data_[Hf2Sc2Si2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1937] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
1,134
false
899
Sr4B4Pd16
data_[Sr4B4Pd16] 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 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.1500] _cell_length_b [5.5796] _cell_length_c [12.0197] _ce...
0.522156
N/A
null
train
synthetic, MP or NOMAD
Pnma
224
true
4,929
Si64B
data_[Si64B1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.9354] _cell_length_b [10.9354] _cell_length_c [10.9354] _cell_angle_alpha [90.0000] _cell_a...
0.457604
N/A
null
train
synthetic, MP or NOMAD
R-3m
141
true
4,894
Sc2 Tl2 V2 C2
data_[Sc2Tl2V2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.1771] _cell_length_b [3.177...
0.798068
N/A
N/A
train
original data
P6_3mc
1,876
false
1,491
Zr2 V4 Si2 C4
data_[Zr2V4Si2C4] 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_3/mmc] _cell_length_a [3.1074] _cell_length_b [3.1...
0.795932
N/A
N/A
validation
original data
P6_3/mmc
5,051
false
5,484
Zr4 Sn2 N2
data_[Zr4Sn2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3080] _cell_length_b [3.3080] _cell_length_c [14.7155] ...
0.248414
N/A
N/A
train
original data
P6_3/mmc
3,045
false
2,432
Sc4 Nb4 Al2 N6
data_[Sc4Nb4Al2N6] 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 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 [3.1312] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,056
false
5,386
Hf2 Sc2 As2 N2
data_[Hf2Sc2As2N2] 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 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 [3.3667] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
3,682
false
2,949
Hf4 Ti2 Cd2 N4
data_[Hf4Ti2Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2058] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,324
false
5,204
Sc4 Sn2 W4 N6
data_[Sc4Sn2W4N6] 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 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 [3.0989] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,016
false
811
Mn4 Nb4 P2 N6
data_[Mn4Nb4P2N6] 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 [3.0090] _cell_length_b [3.0...
0.249199
N/A
N/A
train
original data
P6_3/mmc
1,494
false
1,184
Zr4 Ga2 N2
data_[Zr4Ga2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2687] _cell_length_b [3.2687] _cell_length_c [14.0559] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
637
false
501
Al2B2Mo2
data_[Al4B4Mo4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2057] _cell_length_b [13.9695] _cell_length_c [3.0965] _cel...
0.542947
N/A
null
train
synthetic, MP or NOMAD
Cmcm
5
true
4,813
Zr2 In2 W4 N4
data_[Zr2In2W4N4] 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 [3.1272] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
3,859
false
5,361
Hf4 P2 W4 N6
data_[Hf4P2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 P 2.1900 1.0000 0.5500 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 [3.1664] _cell_length_b [3.166...
1
N/A
N/A
train
original data
P6_3/mmc
746
false
591
Nb6 Pb2 C4
data_[Nb6Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2111] _cell_length_b [3.2111] _cell_length_c [19.8608] ...
0.217257
N/A
N/A
train
original data
P6_3/mmc
4,985
false
3,989
Sc2 Cr4 Cd2 N4
data_[Sc2Cr4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0402] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,581
false
1,255
Sc2 Tl2 Cr4 N4
data_[Sc2Tl2Cr4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3/mmc] _cell_length_a [3.0923] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,199
false
1,753
V2 Ga2 W2 C2
data_[V2Ga2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9980] _cell_length_b [2.9980]...
0.795601
N/A
N/A
validation
original data
P6_3mc
1,510
false
5,118
Ta4 Cd2 N2
data_[Ta4Cd2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1299] _cell_length_b [3.1299] _cell_length_c [14.5086] ...
0.267194
N/A
N/A
train
original data
P6_3/mmc
2,048
false
1,636
Sc2 Sn2 Mo4 C4
data_[Sc2Sn2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1866] _cell_length_b [3...
0.792816
N/A
N/A
train
original data
P6_3/mmc
3,375
false
2,706
Mo4 C2 S2
data_[Mo4C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3333] _cell_length_b [3.3333] _cell_length_c [10.9988] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,761
false
2,208
Hf4 Al2 Mo2 C4
data_[Hf4Al2Mo2C4] 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 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 [3.2125] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
6,007
false
4,806
Tl2 V2 Mo4 C4
data_[Tl2V2Mo4C4] 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 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 [3.0446] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,171
false
1,731
Sc4 Cd2 W2 C4
data_[Sc4Cd2W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1897] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,781
false
3,025
Hf4 Al2 Mo4 N6
data_[Hf4Al2Mo4N6] 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 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 [3.1770] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
171
false
137
Hf4 Al2 W4 C6
data_[Hf4Al2W4C6] 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_3/mmc] _cell_length_a [3.1453] _cell_length_b [3.1...
0.794683
N/A
N/A
test
original data
P6_3/mmc
2,625
false
5,848
Nb2 Cr4 C4 S2
data_[Nb2Cr4C4S2] 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 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 [3.1609] _cell_length_b [3.1...
0.755198
N/A
N/A
train
original data
P6_3/mmc
1,094
false
869
Sc2 V4 Ga2 C4
data_[Sc2V4Ga2C4] 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 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 [3.0437] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,899
false
2,315
Zr4 Nb2 Ge2 N4
data_[Zr4Nb2Ge2N4] 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 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 [3.2116] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,479
false
2,786
Sc2 Cr2 As2 C2
data_[Sc2Cr2As2C2] 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_3mc] _cell_length_a [3.1517] _cell_length_b [3.1...
0.760075
N/A
N/A
train
original data
P6_3mc
2,654
false
2,119
Zr4 Nb2 S2 N4
data_[Zr4Nb2S2N4] 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 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 [3.2586] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,429
false
3,551
Hf2 Ti4 Ge2 C4
data_[Hf2Ti4Ge2C4] 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 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 [3.1803] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,525
false
2,818
Zr2 V4 Sn2 N4
data_[Zr2V4Sn2N4] 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 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 [3.1379] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3/mmc
5,743
false
6,147
Zr4 Ti4 As2 N6
data_[Zr4Ti4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1599] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,662
false
3,736
Ge2 Mo4 W2 C4
data_[Ge2Mo4W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1114] _cell_length_b [3.1...
0.795712
N/A
N/A
train
original data
P6_3/mmc
1,941
false
1,547
Ti2 Sn2 W4 N4
data_[Ti2Sn2W4N4] 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 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 [3.0644] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
667
false
529
Sc4 Mo4 S2 N6
data_[Sc4Mo4S2N6] 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 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 [3.1897] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,730
false
1,373
Zr4 Ta2 Ge2 N4
data_[Zr4Ta2Ge2N4] 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 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 [3.1957] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
4,421
false
6,014
Nb2 In2 Mo2 C2
data_[Nb2In2Mo2C2] 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 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 [3.1674] _cell_length_b [3.1...
0.794879
N/A
N/A
test
original data
P6_3mc
2,835
false
5,872
Ti2 Mn4 C4 S2
data_[Ti2Mn4C4S2] 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 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 [3.0758] _cell_length_b [3.0...
0.209131
N/A
N/A
train
original data
P6_3/mmc
2,582
false
2,057
Sc4 Cr4 Pb2 N6
data_[Sc4Cr4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1450] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
406
false
322
Hf4 Tl2 W2 N4
data_[Hf4Tl2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2057] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,914
false
3,934
Mn4 Al2 N2
data_[Mn4Al2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7911] _cell_length_b [2.7911] _cell_length_c [12.6548] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
5,712
false
4,575
Ta2 Ti4 Pb2 N4
data_[Ta2Ti4Pb2N4] 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 [3.1655] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
412
false
5,634
Zr4 Sc4 Sn2 N6
data_[Zr4Sc4Sn2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2285] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,362
false
4,292