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 Nb2 Tl2 C2
data_[Hf2Nb2Tl2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2473] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
4,229
false
3,386
Sc2 Ti4 Si2 N4
data_[Sc2Ti4Si2N4] 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 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 [3.0520] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,227
false
3,384
Hf4 Nb4 Al2 C6
data_[Hf4Nb4Al2C6] 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_3/mmc] _cell_length_a [3.2117] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
4,632
false
5,437
Sc4 Mn2 Tl2 N4
data_[Sc4Mn2Tl2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1366] _cell_length_b [3...
0.259273
N/A
N/A
test
original data
P6_3/mmc
4,059
false
5,983
Tl2 Mo2 W2 C2
data_[Tl2Mo2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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_3mc] _cell_length_a [3.1684] _cell_length_b [3.168...
0.792444
N/A
N/A
test
original data
P6_3mc
5,165
false
6,087
Zr2 In2 W2 N2
data_[Zr2In2W2N2] 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_3mc] _cell_length_a [3.2408] _cell_length_b [3.240...
1
N/A
N/A
train
original data
P6_3mc
2,703
false
2,161
Zr4 In2 Mo2 N4
data_[Zr4In2Mo2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3573] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,195
false
2,555
Hf4 Mn4 Si2 C6
data_[Hf4Mn4Si2C6] 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 [3.1532] _cell_length_b [3...
0.231576
N/A
N/A
validation
original data
P6_3/mmc
1,517
false
5,119
Sc4 Ta4 Si2 C6
data_[Sc4Ta4Si2C6] 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 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 [3.2091] _cell_length_b [3...
0.79606
N/A
N/A
train
original data
P6_3/mmc
4,760
false
3,813
Nb2 Sn2 Mo4 C4
data_[Nb2Sn2Mo4C4] 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 [3.1593] _cell_length_b [3...
0.792715
N/A
N/A
train
original data
P6_3/mmc
5,553
false
4,451
Mn4 V4 As2 N6
data_[Mn4V4As2N6] 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 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 [2.9895] _cell_length_b [2.9...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,506
false
1,195
Ta4 Tl2 Mo2 N4
data_[Ta4Tl2Mo2N4] 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 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 [2.9909] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
5,026
false
4,021
Sc4 Tl2 W4 N6
data_[Sc4Tl2W4N6] 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 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 [3.0710] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,126
false
891
Ti4 V4 Cd2 C6
data_[Ti4V4Cd2C6] 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 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 [3.0481] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
162
false
129
Ti6 Al2 C4
data_[Ti6Al2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0770] _cell_length_b [3.0770] _cell_length_c [18.6677] ...
0.21758
N/A
N/A
train
original data
P6_3/mmc
386
false
309
Hf2 Ta4 S2 N4
data_[Hf2Ta4S2N4] 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 [3.1735] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,963
false
4,774
Ta4 Ti2 Cd2 C4
data_[Ta4Ti2Cd2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1657] _cell_length_b [3...
0.794283
N/A
N/A
train
original data
P6_3/mmc
1,983
false
1,581
Cr4 Ge2 W2 N4
data_[Cr4Ge2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8683] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
4,692
false
3,758
Nb2 V4 Cd2 N4
data_[Nb2V4Cd2N4] 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 [2.9987] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,764
false
3,816
Nb6 Tl2 N4
data_[Nb6Tl2N4] 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 [3.1502] _cell_length_b [3.1502] _cell_length_c [19.7708] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
1,877
false
1,492
Hf2 As2 W4 N4
data_[Hf2As2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 As 2.1800 1.1500 0.6600 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 [3.1504] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,270
false
1,806
Nb2 P2 W4 C4
data_[Nb2P2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 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 [3.1445] _cell_length_b [3.144...
0.794782
N/A
N/A
train
original data
P6_3/mmc
432
false
344
Ta2 Nb2 Ga2 C2
data_[Ta2Nb2Ga2C2] 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 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1326] _cell_length_b [3.1...
0.794582
N/A
N/A
train
original data
P6_3mc
400
false
319
Nb4 In2 W2 N4
data_[Nb4In2W2N4] 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 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 [2.9821] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
2,239
false
1,782
Ca2Co4Si2C2
data_[Ca4Co8Si4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7969] _cell_length_b [10.38...
0.510828
N/A
null
train
synthetic, MP or NOMAD
Cmcm
92
false
4,859
Tl2 V2 W4 C4
data_[Tl2V2W4C4] 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 [3.0289] _cell_length_b [3.028...
0.792674
N/A
N/A
train
original data
P6_3/mmc
4,112
false
3,286
Zr2 Mo4 As2 N4
data_[Zr2Mo4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1781] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,996
false
3,192
Ta4 Pb2 N2
data_[Ta4Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3637] _cell_length_b [3.3637] _cell_length_c [13.5149] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
4,285
false
3,434
Sc4 Nb4 S2 N6
data_[Sc4Nb4S2N6] 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 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 [3.1651] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
529
false
5,017
Ti4 Al2 Mo2 N4
data_[Ti4Al2Mo2N4] 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 [3.0155] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,771
false
3,821
Sc4 Mn4 Si2 C6
data_[Sc4Mn4Si2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0182] _cell_length_b [3...
0.230948
N/A
N/A
train
original data
P6_3/mmc
1,651
false
1,313
Ti4In2C2
data_[Ti4In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.1460] _cell_length_b [3.1460] _cell_length_c [14.2161] ...
0.64902
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
46
false
4,829
Ta8 C6 S2
data_[Ta8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1945] _cell_length_b [3.1945] _cell_length_c [22.3666] _c...
0.221396
N/A
N/A
train
original data
P6_3/mmc
2,158
false
1,720
Sc4 Cr2 Si2 C4
data_[Sc4Cr2Si2C4] 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 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 [3.0817] _cell_length_b [3...
0.757486
N/A
N/A
test
original data
P6_3/mmc
4,717
false
6,039
Mo2 P2 W4 N4
data_[Mo2P2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [2.9122] _cell_length_b [2.912...
1
N/A
N/A
test
original data
P6_3/mmc
5,811
false
6,161
V4 P2 W4 C6
data_[V4P2W4C6] 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 [3.0857] _cell_length_b [3.0857]...
0.794773
N/A
N/A
train
original data
P6_3/mmc
4,213
false
3,373
Zr8 Al2 N6
data_[Zr8Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2453] _cell_length_b [3.2453] _cell_length_c [25.0746] ...
0.261067
N/A
N/A
test
original data
P6_3/mmc
5,443
false
6,121
Zr4 Tl2 V2 C4
data_[Zr4Tl2V2C4] 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 [3.2709] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,547
false
4,446
Sc2 Ti4 Ge2 C4
data_[Sc2Ti4Ge2C4] 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 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 [3.1650] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,451
false
2,763
Ta4 Si2 W2 C4
data_[Ta4Si2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 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 [3.1342] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,832
false
1,460
Mn4 Ga2 C2
data_[Mn4Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8810] _cell_length_b [2.8810] _cell_length_c [12.1030] ...
0.000001
N/A
N/A
test
original data
P6_3/mmc
1,906
false
5,784
Ta4 Al2 N2
data_[Ta4Al2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9743] _cell_length_b [2.9743] _cell_length_c [14.4952] ...
0.241017
N/A
N/A
train
original data
P6_3/mmc
4,711
false
3,774
Ti4 Si2 W2 N4
data_[Ti4Si2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0146] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,294
false
4,240
Hf2 Nb2 Cd2 N2
data_[Hf2Nb2Cd2N2] 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_3mc] _cell_length_a [3.1902] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
773
false
612
Mn2 Nb2 Cd2 C2
data_[Mn2Nb2Cd2C2] 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_3mc] _cell_length_a [3.0706] _cell_length_b [3.0...
0.19983
N/A
N/A
train
original data
P6_3mc
4,492
false
3,601
Mn4 Cr2 Si2 N4
data_[Mn4Cr2Si2N4] 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 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 [2.7405] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,364
false
3,494
Ti4 Mn2 Ga2 C4
data_[Ti4Mn2Ga2C4] 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 [3.0421] _cell_length_b [3...
0.215376
N/A
N/A
train
original data
P6_3/mmc
2,708
false
2,165
Ti2 Nb2 In2 C2
data_[Ti2Nb2In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1399] _cell_length_b [3.1...
0.796879
N/A
N/A
test
original data
P6_3mc
4,433
false
6,015
Ta4 Mn2 Cd2 N4
data_[Ta4Mn2Cd2N4] 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 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 [3.0286] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
3,201
false
2,559
Zr2 V2 Cd2 N2
data_[Zr2V2Cd2N2] 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 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 [3.1859] _cell_length_b [3.185...
1
N/A
N/A
validation
original data
P6_3mc
3,391
false
5,305
Zr2 Al2 Cr4 N4
data_[Zr2Al2Cr4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0361] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,937
false
4,753
Sc4 Si2 Mo4 C6
data_[Sc4Si2Mo4C6] 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 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 [3.1168] _cell_length_b [3...
0.792398
N/A
N/A
test
original data
P6_3/mmc
2,963
false
5,887
Tl2 V8 C6
data_[Tl2V8C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9788] _cell_length_b [2.9788] _cell_length_c [23.4883] _c...
0.214445
N/A
N/A
train
original data
P6_3/mmc
5,661
false
4,535
Nb4 Tl2 V4 N6
data_[Nb4Tl2V4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1190] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
788
false
626
Ti4 Nb2 P2 C4
data_[Ti4Nb2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 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 [3.1945] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,576
false
3,671
Hf4 W2 S2 N4
data_[Hf4W2S2N4] 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 [3.2319] _cell_length_b [3.231...
1
N/A
N/A
test
original data
P6_3/mmc
4,635
false
6,033
Cr8 C6 S2
data_[Cr8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9377] _cell_length_b [2.9377] _cell_length_c [20.3837] _c...
0.178311
N/A
N/A
train
original data
P6_3/mmc
2,336
false
1,862
Hf4 Ga2 W2 N4
data_[Hf4Ga2W2N4] 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 [3.1575] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,909
false
4,730
V4 W4 S2 N6
data_[V4W4S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [2.9571] _cell_length_b [2.9571]...
1
N/A
N/A
train
original data
P6_3/mmc
4,812
false
3,852
Zr4 Ti2 Si2 N4
data_[Zr4Ti2Si2N4] 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 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 [3.1199] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,161
false
4,135
Mn4 V4 Si2 N6
data_[Mn4V4Si2N6] 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 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 [2.8637] _cell_length_b [2.8...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
2,922
false
5,258
Al2 V4 W2 N4
data_[Al2V4W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8267] _cell_length_b [2.826...
1
N/A
N/A
train
original data
P6_3/mmc
2,693
false
2,153
Zr2 Mn4 In2 C4
data_[Zr2Mn4In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1199] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,474
false
1,977
Hf4 Nb4 As2 C6
data_[Hf4Nb4As2C6] 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 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 [3.3066] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,239
false
2,592
Sc4 Mn4 Ga2 N6
data_[Sc4Mn4Ga2N6] 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 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 [3.0258] _cell_length_b [3...
0.291543
N/A
N/A
train
original data
P6_3/mmc
3,653
false
2,923
Mn4 Pb2 C2
data_[Mn4Pb2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1313] _cell_length_b [3.1313] _cell_length_c [13.3401] ...
0.000002
N/A
N/A
train
original data
P6_3/mmc
3,554
false
2,842
Sc4 Pb2 N2
data_[Sc4Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.3219] _cell_length_b [3.3219] _cell_length_c [14.6897] ...
0.250163
N/A
N/A
test
original data
P6_3/mmc
2,636
false
5,849
Nb2 Tl2 V4 C4
data_[Nb2Tl2V4C4] 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 [3.0946] _cell_length_b [3.0...
0.796379
N/A
N/A
test
original data
P6_3/mmc
4,936
false
6,066
Ta6 C4 S2
data_[Ta6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.1754] _cell_length_b [3.1754] _cell_length_c [17.3668] _c...
0.200852
N/A
N/A
train
original data
P6_3/mmc
2,612
false
2,084
Sc2 Sn2 W4 C4
data_[Sc2Sn2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1777] _cell_length_b [3.1...
0.794423
N/A
N/A
train
original data
P6_3/mmc
5,063
false
4,053
Mn4 Cr4 C6 S2
data_[Mn4Cr4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9649] _cell_length_b [2.9...
0.172555
N/A
N/A
train
original data
P6_3/mmc
5,180
false
4,150
Hf4 Cr2 Si2 C4
data_[Hf4Cr2Si2C4] 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 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 [3.1746] _cell_length_b [3...
0.764247
N/A
N/A
train
original data
P6_3/mmc
3,047
false
2,434
Sn2 Mo4 W2 C4
data_[Sn2Mo4W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 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 [3.1530] _cell_length_b [3.1...
0.797747
N/A
N/A
validation
original data
P6_3/mmc
4,058
false
5,387
Ta2 Mn2 Cd2 C2
data_[Ta2Mn2Cd2C2] 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 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 [3.0891] _cell_length_b [3.0...
0.209834
N/A
N/A
train
original data
P6_3mc
1,507
false
1,196
Mn2 V2 In2 C2
data_[Mn2V2In2C2] 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_3mc] _cell_length_a [3.0522] _cell_length_b [3.052...
0.209018
N/A
N/A
train
original data
P6_3mc
2,892
false
2,309
Ta4 Mn2 In2 N4
data_[Ta4Mn2In2N4] 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 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 [3.0468] _cell_length_b [3...
0.254107
N/A
N/A
train
original data
P6_3/mmc
1,072
false
853
Tl2 Cr2 W4 C4
data_[Tl2Cr2W4C4] 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 [3.0422] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,660
false
2,123
Hf2 V4 Ga2 N4
data_[Hf2V4Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0133] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,505
false
4,411
Sc2 Cr4 Ge2 N4
data_[Sc2Cr4Ge2N4] 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 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 [3.0133] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,660
false
1,321
Ta2 Ti4 As2 N4
data_[Ta2Ti4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1540] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,855
false
4,684
Cr4 Pb2 W2 N4
data_[Cr4Pb2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1492] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,484
false
1,174
Zr4 Mn2 Cd2 C4
data_[Zr4Mn2Cd2C4] 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 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 [3.2324] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,942
false
3,149
Zr2 Al2 V2 C2
data_[Zr2Al2V2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0946] _cell_length_b [3.094...
0.795598
N/A
N/A
train
original data
P6_3mc
4,810
false
3,851
Mo2 Pb2 W2 N2
data_[Mo2Pb2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3131] _cell_length_b [3.313...
1
N/A
N/A
train
original data
P6_3mc
1,067
false
848
Sc2 Ta2 Tl2 C2
data_[Sc2Ta2Tl2C2] 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_3mc] _cell_length_a [3.2599] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
2,249
false
1,789
Zr2 Ta2 As2 N2
data_[Zr2Ta2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3680] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
3,027
false
2,416
Si2 Mo4 W2 N4
data_[Si2Mo4W2N4] 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_3/mmc] _cell_length_a [2.8351] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
5,992
false
4,793
Sc4 Nb4 In2 C6
data_[Sc4Nb4In2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2521] _cell_length_b [3...
0.797897
N/A
N/A
train
original data
P6_3/mmc
681
false
538
Mn4 Cd2 Mo4 N6
data_[Mn4Cd2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9088] _cell_length_b [2...
0.238803
N/A
N/A
train
original data
P6_3/mmc
4,463
false
3,576
Zr2 V2 Sn2 N2
data_[Zr2V2Sn2N2] 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_3mc] _cell_length_a [3.2737] _cell_length_b [3.273...
1
N/A
N/A
train
original data
P6_3mc
1,385
false
1,098
Sc4 V2 P2 N4
data_[Sc4V2P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1459] _cell_length_b [3.145...
1
N/A
N/A
train
original data
P6_3/mmc
5,144
false
4,121
Nb4 V2 S2 N4
data_[Nb4V2S2N4] 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_3/mmc] _cell_length_a [3.0795] _cell_length_b [3.079...
1
N/A
N/A
train
original data
P6_3/mmc
5,694
false
4,562
Zr4 Ti4 Tl2 C6
data_[Zr4Ti4Tl2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2446] _cell_length_b [3...
0.792398
N/A
N/A
test
original data
P6_3/mmc
1,773
false
5,772
Mn2 Mo4 C4 S2
data_[Mn2Mo4C4S2] 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 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 [3.0828] _cell_length_b [3.0...
0.207673
N/A
N/A
validation
original data
P6_3/mmc
3,832
false
5,360
Sc4 Mn4 Al2 C6
data_[Sc4Mn4Al2C6] 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 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0201] _cell_length_b [3...
0.204207
N/A
N/A
validation
original data
P6_3/mmc
5,208
false
5,496
Mn2 In2 W2 C2
data_[Mn2In2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 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 [3.0794] _cell_length_b [3.079...
0.212512
N/A
N/A
train
original data
P6_3mc
2,514
false
2,004
Ti4 Al2 W4 C6
data_[Ti4Al2W4C6] 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 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 [3.0649] _cell_length_b [3.0...
0.794763
N/A
N/A
train
original data
P6_3/mmc
5,103
false
4,088
Zr4 V2 Cd2 C4
data_[Zr4V2Cd2C4] 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 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 [3.2337] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,753
false
4,608
Zr8 Cd2 C6
data_[Zr8Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3486] _cell_length_b [3.3486] _cell_length_c [26.0596] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,670
false
3,741
Zr2 Nb2 Sn2 C2
data_[Zr2Nb2Sn2C2] 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 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 [3.2840] _cell_length_b [3.2...
0.798068
N/A
N/A
test
original data
P6_3mc
1,830
false
5,777