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 Ti2 Sn2 N2
data_[Hf2Ti2Sn2N2] 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 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 [3.1818] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
419
false
332
Sc2Al6C6
data_[Sc2Al6C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3550] _cell_length_b [3.3550] _cell_length_c [16.7760] ...
0.922183
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
14
false
4,817
Mn2 Ge2 W4 N4
data_[Mn2Ge2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8538] _cell_length_b [2.8...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
3,274
false
5,290
Ta2 Mn4 In2 N4
data_[Ta2Mn4In2N4] 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 [3.0785] _cell_length_b [3...
0.295714
N/A
N/A
train
original data
P6_3/mmc
5,028
false
4,023
Mn4 Nb4 Ga2 C6
data_[Mn4Nb4Ga2C6] 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 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 [3.0422] _cell_length_b [3...
0.206736
N/A
N/A
train
original data
P6_3/mmc
4,649
false
3,725
Sc4 Nb2 Cd2 C4
data_[Sc4Nb2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2297] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
846
false
670
Zr2 Sc4 In2 C4
data_[Zr2Sc4In2C4] 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 [3.3327] _cell_length_b [3...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
4,664
false
5,445
Mn4 Si2 W4 N6
data_[Mn4Si2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.7859] _cell_length_b [2.7...
0.307412
N/A
N/A
train
original data
P6_3/mmc
2,388
false
1,906
Sc2 Sn2 W2 N2
data_[Sc2Sn2W2N2] 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_3mc] _cell_length_a [3.2190] _cell_length_b [3.219...
1
N/A
N/A
train
original data
P6_3mc
672
false
533
Cd2 W6 C4
data_[Cd2W6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0542] _cell_length_b [3.0542] _cell_length_c [19.6857] _c...
0.207925
N/A
N/A
train
original data
P6_3/mmc
5,902
false
4,723
Cr6 P2 C4
data_[Cr6P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9154] _cell_length_b [2.9154] _cell_length_c [15.8452] _c...
0.176252
N/A
N/A
test
original data
P6_3/mmc
4,527
false
6,023
Hf4 Tl2 Cr4 N6
data_[Hf4Tl2Cr4N6] 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 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 [3.1590] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,537
false
5,524
Sc2 Mn2 Ga2 C2
data_[Sc2Mn2Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0690] _cell_length_b [3.0...
0.21769
N/A
N/A
train
original data
P6_3mc
89
false
71
Ta2 Mo4 S2 N4
data_[Ta2Mo4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 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 [3.1659] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3/mmc
3,838
false
5,962
Ti2 Nb4 As2 C4
data_[Ti2Nb4As2C4] 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 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 [3.2291] _cell_length_b [3...
0.793211
N/A
N/A
train
original data
P6_3/mmc
32
false
28
Mn4 Nb2 Tl2 N4
data_[Mn4Nb2Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0990] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
2,296
false
1,830
Ti4 Cr4 Pb2 C6
data_[Ti4Cr4Pb2C6] 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 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 [3.1058] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
790
false
627
Ti2 Ga2 W4 C4
data_[Ti2Ga2W4C4] 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 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 [3.0000] _cell_length_b [3.0...
0.794754
N/A
N/A
validation
original data
P6_3/mmc
4,522
false
5,424
Zr2 Nb2 C2 S2
data_[Zr2Nb2C2S2] 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 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 [3.3671] _cell_length_b [3.367...
0.797549
N/A
N/A
train
original data
P6_3mc
4,202
false
3,363
V8 Pb2 N6
data_[V8Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0349] _cell_length_b [3.0349] _cell_length_c [22.7940] _c...
0.307412
N/A
N/A
test
original data
P6_3/mmc
1,616
false
5,754
V8 Si2 C6
data_[V8Si2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9325] _cell_length_b [2.9325] _cell_length_c [21.8716] _c...
0.229599
N/A
N/A
train
original data
P6_3/mmc
2,008
false
1,604
V4 Ge2 W4 N6
data_[V4Ge2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9320] _cell_length_b [2.932...
1
N/A
N/A
train
original data
P6_3/mmc
1,156
false
915
Nb4 Cr4 Ge2 N6
data_[Nb4Cr4Ge2N6] 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 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 [3.0944] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,803
false
1,434
Hf2 P2 W2 N2
data_[Hf2P2W2N2] 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_3mc] _cell_length_a [3.2675] _cell_length_b [3.2675]...
1
N/A
N/A
train
original data
P6_3mc
703
false
559
Ta4 Mo4 Pb2 C6
data_[Ta4Mo4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 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 [3.1843] _cell_length_b [3...
0.795147
N/A
N/A
train
original data
P6_3/mmc
4,644
false
3,721
Hf2 Sc2 Pb2 N2
data_[Hf2Sc2Pb2N2] 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 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3220] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
3,008
false
2,398
Hf2 Ti4 As2 C4
data_[Hf2Ti4As2C4] 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 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 [3.2437] _cell_length_b [3...
0.7956
N/A
N/A
train
original data
P6_3/mmc
2,123
false
1,693
Hf2 Cr2 Pb2 N2
data_[Hf2Cr2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2459] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
364
false
5,626
Mn2 Ge2 Mo2 C2
data_[Mn2Ge2Mo2C2] 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 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 [3.0312] _cell_length_b [3.0...
0.213368
N/A
N/A
validation
original data
P6_3mc
3,177
false
5,280
Ti4 Al2 V4 N6
data_[Ti4Al2V4N6] 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 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 [2.9587] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
3,718
false
2,976
Al2 Cr6 C4
data_[Al2Cr6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8599] _cell_length_b [2.8599] _cell_length_c [17.4324] ...
0.171688
N/A
N/A
train
original data
P6_3/mmc
4,864
false
3,892
Sc2 Nb4 Al2 N4
data_[Sc2Nb4Al2N4] 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 [3.0537] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,384
false
1,097
Hf2 V4 P2 C4
data_[Hf2V4P2C4] 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 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 [3.1486] _cell_length_b [3.148...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,732
false
4,592
Zr2 Ga2 W2 C2
data_[Zr2Ga2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1743] _cell_length_b [3.174...
0.792398
N/A
N/A
train
original data
P6_3mc
1,381
false
1,095
Zr4 P2 W2 C4
data_[Zr4P2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.3343] _cell_length_b [3.334...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,849
false
2,276
Zr2 Ge2 W2 C2
data_[Zr2Ge2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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_3mc] _cell_length_a [3.2718] _cell_length_b [3.271...
0.796772
N/A
N/A
train
original data
P6_3mc
1,118
false
887
Tl2 W4 N2
data_[Tl2W4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9342] _cell_length_b [2.9342] _cell_length_c [15.6180] _c...
0.236842
N/A
N/A
test
original data
P6_3/mmc
4,815
false
6,051
Zr4 Ti4 Al2 C6
data_[Zr4Ti4Al2C6] 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 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 [3.2061] _cell_length_b [3...
0.787896
N/A
N/A
train
original data
P6_3/mmc
4,596
false
3,688
Nb8 Ga2 N6
data_[Nb8Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0877] _cell_length_b [3.0877] _cell_length_c [24.2309] ...
0.237336
N/A
N/A
train
original data
P6_3/mmc
235
false
189
Zr2 V2 C2 S2
data_[Zr2V2C2S2] 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 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 [3.2820] _cell_length_b [3.2820]...
0.79269
N/A
N/A
test
original data
P6_3mc
55
false
5,600
Hf4 Nb4 Ge2 N6
data_[Hf4Nb4Ge2N6] 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 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 [3.2022] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
898
false
715
Sc2 Nb2 Sn2 N2
data_[Sc2Nb2Sn2N2] 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_3mc] _cell_length_a [3.2081] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
1,812
false
1,443
Hf2 Sn2 W2 C2
data_[Hf2Sn2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2810] _cell_length_b [3.281...
0.794032
N/A
N/A
train
original data
P6_3mc
3,321
false
2,660
Cr8 S2 N6
data_[Cr8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9317] _cell_length_b [2.9317] _cell_length_c [20.0457] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,451
false
4,366
Ta2 Si2 W2 C2
data_[Ta2Si2W2C2] 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_3mc] _cell_length_a [3.1988] _cell_length_b [3.198...
0.792744
N/A
N/A
test
original data
P6_3mc
3,512
false
5,932
Hf2 Ta4 Cd2 N4
data_[Hf2Ta4Cd2N4] 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 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 [3.1004] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,067
false
1,652
Sc2 Nb2 S2 N2
data_[Sc2Nb2S2N2] 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_3mc] _cell_length_a [3.2744] _cell_length_b [3.274...
1
N/A
N/A
train
original data
P6_3mc
1,534
false
1,217
Ta4 Mn2 C4 S2
data_[Ta4Mn2C4S2] 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 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 [3.2183] _cell_length_b [3.2...
0.210836
N/A
N/A
train
original data
P6_3/mmc
4,447
false
3,564
Hf4 Si2 Mo2 C4
data_[Hf4Si2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2421] _cell_length_b [3...
0.793063
N/A
N/A
train
original data
P6_3/mmc
3,209
false
2,564
Ti2 Nb4 Pb2 C4
data_[Ti2Nb4Pb2C4] 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 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 [3.1934] _cell_length_b [3...
0.797428
N/A
N/A
train
original data
P6_3/mmc
792
false
629
Tl2 V4 C2
data_[Tl2V4C2] 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 [3.1016] _cell_length_b [3.1016] _cell_length_c [13.4325] _c...
0.224462
N/A
N/A
train
original data
P6_3/mmc
4,716
false
3,779
Hf4 S2 N2
data_[Hf4S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.3385] _cell_length_b [3.3385] _cell_length_c [11.9103] _c...
0.245193
N/A
N/A
train
original data
P6_3/mmc
3,963
false
3,166
Hf2 Nb2 Ge2 N2
data_[Hf2Nb2Ge2N2] 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 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 [3.2730] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
2,846
false
2,273
Nb4 V2 Ge2 N4
data_[Nb4V2Ge2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0417] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,244
false
2,597
Hf4 Zr2 Pb2 C4
data_[Hf4Zr2Pb2C4] 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 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 [3.3719] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,758
false
1,396
Mn4 Tl2 Mo4 N6
data_[Mn4Tl2Mo4N6] 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 [3.0830] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
3,595
false
2,875
Sc4 Ti2 Sn2 N4
data_[Sc4Ti2Sn2N4] 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_3/mmc] _cell_length_a [3.1838] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,906
false
3,120
Sc6 Pb2 C4
data_[Sc6Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3586] _cell_length_b [3.3586] _cell_length_c [21.0535] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
858
false
680
Hf2 Al2 Cr2 C2
data_[Hf2Al2Cr2C2] 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 Cr 1.6600 1.4000 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 [3.0...
0.759752
N/A
N/A
train
original data
P6_3mc
3,227
false
2,581
Nb4 Si2 W4 N6
data_[Nb4Si2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.0877] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,842
false
3,876
Tl2 Cr4 W2 N4
data_[Tl2Cr4W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0993] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,910
false
1,521
Ti2 Ge2 W4 N4
data_[Ti2Ge2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 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 [3.0364] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
482
false
381
Ti4 Ge2 Mo4 C6
data_[Ti4Ge2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0895] _cell_length_b [3...
0.797053
N/A
N/A
train
original data
P6_3/mmc
1,202
false
949
Sc2 Nb4 As2 C4
data_[Sc2Nb4As2C4] 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 [3.2832] _cell_length_b [3...
0.796621
N/A
N/A
train
original data
P6_3/mmc
5,431
false
4,349
Hf2 V4 Sn2 N4
data_[Hf2V4Sn2N4] 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 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 [3.1190] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3/mmc
675
false
5,663
Zr2 Sc4 As2 N4
data_[Zr2Sc4As2N4] 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 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 [3.2923] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,278
false
1,813
Hf4 Cr2 P2 C4
data_[Hf4Cr2P2C4] 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 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 [3.2606] _cell_length_b [3.2...
0.761013
N/A
N/A
train
original data
P6_3/mmc
1,883
false
1,497
Hf2 Nb4 Ge2 N4
data_[Hf2Nb4Ge2N4] 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 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 [3.1458] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,396
false
1,107
Cr4 In2 W2 N4
data_[Cr4In2W2N4] 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 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 [3.0743] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,016
false
4,014
Nb4 Mo2 Pb2 N4
data_[Nb4Mo2Pb2N4] 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 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 [3.3420] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,962
false
3,971
Ta2 V4 Si2 C4
data_[Ta2V4Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [3.0363] _cell_length_b [3.0...
0.79561
N/A
N/A
train
original data
P6_3/mmc
908
false
723
Mn2 Al2 Mo2 C2
data_[Mn2Al2Mo2C2] 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 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 [2.9403] _cell_length_b [2.9...
0.236842
N/A
N/A
train
original data
P6_3mc
1,335
false
1,059
Sc2 Mn4 Al2 C4
data_[Sc2Mn4Al2C4] 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 [2.9998] _cell_length_b [2...
0.216375
N/A
N/A
train
original data
P6_3/mmc
1,677
false
1,330
Ta4 V4 In2 N6
data_[Ta4V4In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [3.1088] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
304
false
241
Sc2 Al2 W2 N2
data_[Sc2Al2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 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 [3.0396] _cell_length_b [3.039...
1
N/A
N/A
train
original data
P6_3mc
2,065
false
1,650
Zr4 V2 In2 N4
data_[Zr4V2In2N4] 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 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 [3.2080] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
3,103
false
2,479
Zr4 V2 Sn2 N4
data_[Zr4V2Sn2N4] 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 [3.1623] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
569
false
442
Hf2 Ti4 Ga2 C4
data_[Hf2Ti4Ga2C4] 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 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 [3.1718] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
503
false
5,011
V2 Sn2 Mo4 C4
data_[V2Sn2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0954] _cell_length_b [3.0...
0.794354
N/A
N/A
train
original data
P6_3/mmc
5,889
false
4,712
Ta2 Al2 Mo2 C2
data_[Ta2Al2Mo2C2] 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 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 [3.0705] _cell_length_b [3.0...
0.794316
N/A
N/A
train
original data
P6_3mc
3,915
false
3,127
Ti4 Nb4 Si2 N6
data_[Ti4Nb4Si2N6] 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 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 [3.0154] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,299
false
1,033
Sc4 V2 As2 C4
data_[Sc4V2As2C4] 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 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 [3.1654] _cell_length_b [3.1...
0.796165
N/A
N/A
train
original data
P6_3/mmc
2,603
false
2,076
Sc4 Nb2 C4 S2
data_[Sc4Nb2C4S2] 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 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 [3.3001] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,879
false
4,705
Zr4 Ta2 Tl2 N4
data_[Zr4Ta2Tl2N4] 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 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 [3.2160] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,862
false
4,691
Sc2 Sn2 W4 N4
data_[Sc2Sn2W4N4] 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 [3.0661] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,655
false
2,925
Hf6 Tl2 C4
data_[Hf6Tl2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3321] _cell_length_b [3.3321] _cell_length_c [20.1948] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,713
false
2,170
Zr4 Ta4 Cd2 N6
data_[Zr4Ta4Cd2N6] 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 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 [3.1787] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,897
false
2,313
Sc2 Nb4 P2 N4
data_[Sc2Nb4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1632] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,453
false
1,150
Ti2 Al2 V2 C2
data_[Ti2Al2V2C2] 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 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 [2.9695] _cell_length_b [2.969...
0.792398
N/A
N/A
train
original data
P6_3mc
3,109
false
2,485
Hf2 Ta4 Ga2 N4
data_[Hf2Ta4Ga2N4] 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 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 [3.0930] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,757
false
1,395
Sc4 Al2 Cr2 N4
data_[Sc4Al2Cr2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0663] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,163
false
3,330
Zr4 Ti2 Cd2 C4
data_[Zr4Ti2Cd2C4] 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 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 [3.2566] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,750
false
3,806
Sc4 V4 Pb2 C6
data_[Sc4V4Pb2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1641] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,830
false
3,063
Hf8 Cd2 N6
data_[Hf8Cd2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2220] _cell_length_b [3.2220] _cell_length_c [25.3286] ...
0.252773
N/A
N/A
train
original data
P6_3/mmc
1,131
false
896
Zr4 Ta4 Ga2 C6
data_[Zr4Ta4Ga2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2331] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,723
false
1,368
Hf2 Zr4 Ga2 C4
data_[Hf2Zr4Ga2C4] 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 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 [3.3249] _cell_length_b [3...
0.798068
N/A
N/A
test
original data
P6_3/mmc
6,012
false
6,181
Sc4 Nb2 Si2 N4
data_[Sc4Nb2Si2N4] 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 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 [3.1654] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,213
false
4,173
Ti4 Cr2 Ge2 N4
data_[Ti4Cr2Ge2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9978] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
87
false
70
Ti4 Ge2 W4 N6
data_[Ti4Ge2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 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 [2.9835] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
3,189
false
2,551
Hf2 Nb2 Si2 N2
data_[Hf2Nb2Si2N2] 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 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 [3.2374] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
3,667
false
2,935