Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
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4
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CIF
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3.16k
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float64
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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
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6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
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6.18k
Ta4 Ti4 In2 N6
data_[Ta4Ti4In2N6] 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 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 [3.1112] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
316
false
250
Nb4 Tl2 Mo4 C6
data_[Nb4Tl2Mo4C6] 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 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 [3.1597] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,071
false
1,656
Ti2 Cr2 Ge2 C2
data_[Ti2Cr2Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0219] _cell_length_b [3.0...
0.757053
N/A
N/A
validation
original data
P6_3mc
1,002
false
5,059
Mn2 V2 P2 C2
data_[Mn2V2P2C2] 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 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 [3.0006] _cell_length_b [3.0006]...
0.19983
N/A
N/A
train
original data
P6_3mc
1,296
false
1,030
Ta2 Al2 W2 N2
data_[Ta2Al2W2N2] 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 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9131] _cell_length_b [2.913...
0.988351
N/A
N/A
train
original data
P6_3mc
96
false
78
Hf4 Tl2 V4 N6
data_[Hf4Tl2V4N6] 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 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 [3.1089] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,929
false
1,537
Mn4 As2 W2 C4
data_[Mn4As2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0621] _cell_length_b [3.0...
0.204837
N/A
N/A
train
original data
P6_3/mmc
2,407
false
1,924
Hf2 Zr4 Pb2 C4
data_[Hf2Zr4Pb2C4] 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 [3.3714] _cell_length_b [3...
0.797772
N/A
N/A
train
original data
P6_3/mmc
3,499
false
2,801
Zr2 Sc4 Al2 N4
data_[Zr2Sc4Al2N4] 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 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 [3.2241] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,993
false
4,794
As2 W8 N6
data_[As2W8N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8721] _cell_length_b [2.8721] _cell_length_c [25.7698] _c...
0.242366
N/A
N/A
train
original data
P6_3/mmc
1,343
false
1,066
Hf4 Tl2 V4 C6
data_[Hf4Tl2V4C6] 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 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 [3.1951] _cell_length_b [3.1...
0.792626
N/A
N/A
train
original data
P6_3/mmc
438
false
349
V2 Mo4 S2 N4
data_[V2Mo4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0104] _cell_length_b [3.010...
1
N/A
N/A
train
original data
P6_3/mmc
5,613
false
4,496
Sc2 V2 Si2 C2
data_[Sc2V2Si2C2] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0579] _cell_length_b [3.057...
0.792398
N/A
N/A
train
original data
P6_3mc
3,434
false
2,751
Hf2 Ti4 Pb2 C4
data_[Hf2Ti4Pb2C4] 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 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 [3.2477] _cell_length_b [3...
0.798068
N/A
N/A
test
original data
P6_3/mmc
3,454
false
5,927
Zr2 Tl2 W4 N4
data_[Zr2Tl2W4N4] 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 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 [3.1423] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,700
false
4,567
Ta4 Ge2 N2
data_[Ta4Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0567] _cell_length_b [3.0567] _cell_length_c [13.7176] ...
0.288257
N/A
N/A
test
original data
P6_3/mmc
3,502
false
5,930
Ta2 Ti2 Cd2 N2
data_[Ta2Ti2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0765] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
692
false
548
Ta2 Mo2 P2 C2
data_[Ta2Mo2P2C2] 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 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 [3.2485] _cell_length_b [3.248...
0.798068
N/A
N/A
train
original data
P6_3mc
5,084
false
4,071
Nb4 Cr4 Sn2 C6
data_[Nb4Cr4Sn2C6] 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 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1069] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,551
false
1,231
Ti4 Mn2 P2 N4
data_[Ti4Mn2P2N4] 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 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 [3.1024] _cell_length_b [3.1...
0.267606
N/A
N/A
validation
original data
P6_3/mmc
5,145
false
5,490
Ti2 Cd2 Mo4 C4
data_[Ti2Cd2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0197] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,775
false
2,220
Ta2 Tl2 Cr2 C2
data_[Ta2Tl2Cr2C2] 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 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 [3.2072] _cell_length_b [3.2...
0.76341
N/A
N/A
validation
original data
P6_3mc
4,289
false
5,404
Hf2 Zr4 Ge2 N4
data_[Hf2Zr4Ge2N4] 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 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 [3.2109] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,028
false
3,219
Zr2 Ta4 S2 N4
data_[Zr2Ta4S2N4] 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 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 [3.1958] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,971
false
4,778
Sc2 Ta2 In2 N2
data_[Sc2Ta2In2N2] 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 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 [3.1479] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
828
false
654
Zr4 Cd2 W2 N4
data_[Zr4Cd2W2N4] 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 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 [3.2194] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,812
false
2,245
Cr4 Mo4 P2 N6
data_[Cr4Mo4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9618] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
474
false
375
Sc2 Cr2 C2 S2
data_[Sc2Cr2C2S2] 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 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 [3.1917] _cell_length_b [3.191...
0.771539
N/A
N/A
validation
original data
P6_3mc
1,157
false
5,082
Zr4 Al2 Mo4 N6
data_[Zr4Al2Mo4N6] 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 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 [3.1934] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,741
false
2,191
Mn4B4Pb4O16
data_[Mn4B4Pb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [P1] _cell_length_a [6.0765] _cell_length_b [6.8144] ...
0.920183
N/A
null
validation
synthetic, MP or NOMAD
Pnma
257
true
5,592
Ti4 Ge2 C2
data_[Ti4Ge2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0877] _cell_length_b [3.0877] _cell_length_c [13.0419] ...
0.202711
N/A
N/A
train
original data
P6_3/mmc
2,545
false
2,028
V4 Cr4 Pb2 C6
data_[V4Cr4Pb2C6] 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 [3.0049] _cell_length_b [3.0...
0.772407
N/A
N/A
train
original data
P6_3/mmc
2,987
false
2,383
Hf2 Mn2 Ga2 C2
data_[Hf2Mn2Ga2C2] 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 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 [3.0874] _cell_length_b [3.0...
0.218266
N/A
N/A
train
original data
P6_3mc
4,252
false
3,406
Tl2 V4 W2 N4
data_[Tl2V4W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0647] _cell_length_b [3.064...
1
N/A
N/A
train
original data
P6_3/mmc
3,262
false
2,613
Mn4 V2 Si2 C4
data_[Mn4V2Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8771] _cell_length_b [2.8...
0.19983
N/A
N/A
test
original data
P6_3/mmc
5,961
false
6,174
B3C2Y2
data_[Y4B6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [3.3970] _cell_length_b [13.7123] _cell_length_c [3.6366] _cell_an...
0.540483
N/A
null
train
synthetic, MP or NOMAD
Cmmm
225
true
4,930
Tl2 V4 Mo2 C4
data_[Tl2V4Mo2C4] 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 [3.0650] _cell_length_b [3.0...
0.794616
N/A
N/A
train
original data
P6_3/mmc
3,795
false
3,036
Mn2 Nb4 Al2 N4
data_[Mn2Nb4Al2N4] 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 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 [3.0038] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,832
false
3,868
Zr2 Mn4 Tl2 N4
data_[Zr2Mn4Tl2N4] 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 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 [3.1174] _cell_length_b [3...
0.307412
N/A
N/A
test
original data
P6_3/mmc
1,623
false
5,755
Ta4 Tl2 V4 N6
data_[Ta4Tl2V4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1249] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,021
false
3,214
Sc2 Sn2 Mo4 N4
data_[Sc2Sn2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0851] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,225
false
1,771
Sc2 Mn2 Tl2 N2
data_[Sc2Mn2Tl2N2] 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_3mc] _cell_length_a [3.1728] _cell_length_b [3.1...
0.297412
N/A
N/A
train
original data
P6_3mc
4,263
false
3,415
Ti2 Si2 Mo2 C2
data_[Ti2Si2Mo2C2] 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 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 [3.0944] _cell_length_b [3.0...
0.795711
N/A
N/A
train
original data
P6_3mc
2,094
false
1,672
Zr4 V4 Ga2 C6
data_[Zr4V4Ga2C6] 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 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 [3.1640] _cell_length_b [3.1...
0.794264
N/A
N/A
train
original data
P6_3/mmc
1,192
false
942
Ti4 Cr4 Cd2 C6
data_[Ti4Cr4Cd2C6] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9980] _cell_length_b [2...
0.759773
N/A
N/A
train
original data
P6_3/mmc
3,517
false
2,810
Zr4 Ta4 Tl2 N6
data_[Zr4Ta4Tl2N6] 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 [3.2320] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,786
false
5,862
Sc8 In2 N6
data_[Sc8In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2233] _cell_length_b [3.2233] _cell_length_c [25.3173] ...
0.282306
N/A
N/A
train
original data
P6_3/mmc
2,230
false
1,776
Ta4 V2 Si2 C4
data_[Ta4V2Si2C4] 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 [3.0848] _cell_length_b [3.0...
0.795737
N/A
N/A
train
original data
P6_3/mmc
4,681
false
3,749
Cr2 In2 Mo4 N4
data_[Cr2In2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0391] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,060
false
1,646
Ti4 Mn4 In2 N6
data_[Ti4Mn4In2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0106] _cell_length_b [3...
0.296761
N/A
N/A
test
original data
P6_3/mmc
847
false
5,683
Hf4 Sc2 Si2 N4
data_[Hf4Sc2Si2N4] 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_3/mmc] _cell_length_a [3.1783] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
4,558
false
6,025
Ti4 Mn4 Ga2 N6
data_[Ti4Mn4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9692] _cell_length_b [2...
0.260641
N/A
N/A
validation
original data
P6_3/mmc
3,822
false
5,357
Nb2 Ga2 W4 C4
data_[Nb2Ga2W4C4] 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 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 [3.0789] _cell_length_b [3.0...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
3,287
false
5,295
Hf2 Zr4 P2 N4
data_[Hf2Zr4P2N4] 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 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 [3.3039] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3/mmc
5,085
false
4,072
Nb4 Ge2 Mo4 N6
data_[Nb4Ge2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [2.9760] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,927
false
1,535
Sc2 Nb2 As2 N2
data_[Sc2Nb2As2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2947] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
2,913
false
5,881
Ti4 Cr4 As2 N6
data_[Ti4Cr4As2N6] 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 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 [3.0061] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,205
false
5,809
Nb2 V4 Ge2 C4
data_[Nb2V4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0654] _cell_length_b [3.0...
0.796712
N/A
N/A
train
original data
P6_3/mmc
5,548
false
4,447
Zr2 P2 W4 C4
data_[Zr2P2W4C4] 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 [3.1873] _cell_length_b [3.187...
0.795003
N/A
N/A
train
original data
P6_3/mmc
4,952
false
3,961
Zr4 Ta4 Pb2 C6
data_[Zr4Ta4Pb2C6] 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 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 [3.2788] _cell_length_b [3...
0.797032
N/A
N/A
train
original data
P6_3/mmc
4,065
false
3,245
Mn4 V2 Ge2 C4
data_[Mn4V2Ge2C4] 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 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9180] _cell_length_b [2.9...
0.226243
N/A
N/A
validation
original data
P6_3/mmc
2,211
false
5,192
Zr4 Nb4 Ge2 N6
data_[Zr4Nb4Ge2N6] 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 [3.2457] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,267
false
4,218
V6 As2 C4
data_[V6As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0413] _cell_length_b [3.0413] _cell_length_c [16.3614] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,076
false
3,254
Mn4 Cd2 Mo2 C4
data_[Mn4Cd2Mo2C4] 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 [3.0119] _cell_length_b [3...
0.22884
N/A
N/A
train
original data
P6_3/mmc
2,291
false
1,825
Zr2 Tl2 Cr4 N4
data_[Zr2Tl2Cr4N4] 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 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 [3.1455] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,029
false
4,024
Sc4 Ta4 Cd2 C6
data_[Sc4Ta4Cd2C6] 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 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 [3.2458] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,847
false
3,075
Mn4 Sn2 C2
data_[Mn4Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0707] _cell_length_b [3.0707] _cell_length_c [12.4733] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
5,857
false
4,686
V4 Mo4 Pb2 N6
data_[V4Mo4Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0143] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,258
false
4,212
Zr2 Nb2 Cd2 N2
data_[Zr2Nb2Cd2N2] 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 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 [3.2162] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
860
false
682
Ti4 Mo4 Pb2 N6
data_[Ti4Mo4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 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
2,009
false
1,605
Ta4 Tl2 W2 N4
data_[Ta4Tl2W2N4] 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 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 [2.9650] _cell_length_b [2.9...
0.992932
N/A
N/A
test
original data
P6_3/mmc
3,709
false
5,948
Ta2 Nb4 S2 N4
data_[Ta2Nb4S2N4] 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 [3.1770] _cell_length_b [3.1...
0.997076
N/A
N/A
train
original data
P6_3/mmc
2,306
false
1,838
Cr4 P2 W4 C6
data_[Cr4P2W4C6] 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 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 [3.0636] _cell_length_b [3.063...
0.769277
N/A
N/A
train
original data
P6_3/mmc
2,932
false
2,341
Ti4 Cr2 Cd2 N4
data_[Ti4Cr2Cd2N4] 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 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 [3.0415] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,349
false
4,282
Hf2 Sc4 Sn2 C4
data_[Hf2Sc4Sn2C4] 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 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3259] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,345
false
1,068
Zr2Cr2C4
data_[Zr2Cr2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2524] _cell_length_b [3.2524] _cell_length_c [9.3276] _...
0.682088
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
146
false
4,898
Ti4 Tl2 Cr2 C4
data_[Ti4Tl2Cr2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0950] _cell_length_b [3...
0.757253
N/A
N/A
train
original data
P6_3/mmc
4,734
false
3,792
Sc2 Mn2 Pb2 C2
data_[Sc2Mn2Pb2C2] 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 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2176] _cell_length_b [3.2...
0.19983
N/A
N/A
train
original data
P6_3mc
4,693
false
3,759
Nb4 Ge2 W4 N6
data_[Nb4Ge2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [3.1042] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
791
false
628
Hf4 Ta2 Pb2 C4
data_[Hf4Ta2Pb2C4] 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 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 [3.3100] _cell_length_b [3...
0.795475
N/A
N/A
train
original data
P6_3/mmc
1,137
false
901
Nb2 Cr4 Pb2 N4
data_[Nb2Cr4Pb2N4] 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 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 [3.1591] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,470
false
2,780
Zr2 Al2 Mo4 C4
data_[Zr2Al2Mo4C4] 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 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 [3.1034] _cell_length_b [3...
0.794417
N/A
N/A
train
original data
P6_3/mmc
5,199
false
4,164
Zr4 Cr2 Si2 N4
data_[Zr4Cr2Si2N4] 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 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 [3.1007] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,050
false
5,067
Zr2 Mn4 Cd2 N4
data_[Zr2Mn4Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0493] _cell_length_b [3...
0.297621
N/A
N/A
train
original data
P6_3/mmc
1,689
false
1,338
Zr2 Mo2 C2 S2
data_[Zr2Mo2C2S2] 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 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 [3.3338] _cell_length_b [3.333...
0.798068
N/A
N/A
train
original data
P6_3mc
2,744
false
2,194
Hf4 Cr2 Cd2 N4
data_[Hf4Cr2Cd2N4] 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 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 [3.2016] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,155
false
914
Zr4 Ti4 Si2 N6
data_[Zr4Ti4Si2N6] 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 [3.1523] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,538
false
3,641
Ti4 Tl2 Mo2 C4
data_[Ti4Tl2Mo2C4] 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 [3.1540] _cell_length_b [3...
0.795391
N/A
N/A
train
original data
P6_3/mmc
5,722
false
4,584
Zr2 Ta2 Tl2 N2
data_[Zr2Ta2Tl2N2] 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_3mc] _cell_length_a [3.2584] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3mc
3,225
false
5,287
Hf2 Sc4 In2 C4
data_[Hf2Sc4In2C4] 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 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 [3.3135] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,089
false
2,469
Mo8 C6 S2
data_[Mo8C6S2] 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 [3.1618] _cell_length_b [3.1618] _cell_length_c [21.8410] _c...
0.211273
N/A
N/A
train
original data
P6_3/mmc
3,441
false
2,756
Ta4 Tl2 Mo2 C4
data_[Ta4Tl2Mo2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1507] _cell_length_b [3...
0.794934
N/A
N/A
test
original data
P6_3/mmc
3,846
false
5,963
Hf2 Mn2 In2 C2
data_[Hf2Mn2In2C2] 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 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 [3.1983] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
276
false
215
Hf2 Mn4 P2 N4
data_[Hf2Mn4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1657] _cell_length_b [3.1...
0.238761
N/A
N/A
train
original data
P6_3/mmc
3,968
false
3,171
Cr4 Sn2 W4 C6
data_[Cr4Sn2W4C6] 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 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 [3.0861] _cell_length_b [3.0...
0.758348
N/A
N/A
train
original data
P6_3/mmc
691
false
547
Hf2 Sc4 Ge2 C4
data_[Hf2Sc4Ge2C4] 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 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 [3.2910] _cell_length_b [3...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
771
false
5,041
Mn2 Nb2 Al2 N2
data_[Mn2Nb2Al2N2] 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 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 [3.0082] _cell_length_b [3.0...
0.242011
N/A
N/A
train
original data
P6_3mc
2,409
false
1,925
Hf4 Ta2 As2 N4
data_[Hf4Ta2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2845] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
264
false
4,988
Ti2 Cr4 Pb2 C4
data_[Ti2Cr4Pb2C4] 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 [3.1247] _cell_length_b [3...
0.758865
N/A
N/A
test
original data
P6_3/mmc
5,422
false
6,119
Ti6 As2 C4
data_[Ti6As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1445] _cell_length_b [3.1445] _cell_length_c [17.1800] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,258
false
2,610