Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
stringlengths
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
0
6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
0
6.18k
Nb2 Ga2 W4 N4
data_[Nb2Ga2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8722] _cell_length_b [2.8...
1
N/A
N/A
test
original data
P6_3/mmc
4,677
false
6,035
Mn2 Pb2 W2 C2
data_[Mn2Pb2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1467] _cell_length_b [3.146...
0.211358
N/A
N/A
test
original data
P6_3mc
3,132
false
5,904
Sc4 Nb2 Ga2 C4
data_[Sc4Nb2Ga2C4] 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 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 [3.2159] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,766
false
3,014
Ta4 Nb4 Al2 N6
data_[Ta4Nb4Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0661] _cell_length_b [3...
0.993854
N/A
N/A
train
original data
P6_3/mmc
571
false
444
Hf2 Sc4 Cd2 N4
data_[Hf2Sc4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2228] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,701
false
2,964
Ta2 Mn2 Sn2 C2
data_[Ta2Mn2Sn2C2] 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 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 [3.2157] _cell_length_b [3.2...
0.19983
N/A
N/A
train
original data
P6_3mc
800
false
634
Zr4 Cr4 Pb2 C6
data_[Zr4Cr4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2198] _cell_length_b [3...
0.7653
N/A
N/A
train
original data
P6_3/mmc
2,041
false
1,630
In2 Mo4 W4 C6
data_[In2Mo4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 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 [3.1539] _cell_length_b [3.1...
0.792546
N/A
N/A
train
original data
P6_3/mmc
3,328
false
2,666
Sc2 Tl2 V4 C4
data_[Sc2Tl2V4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1207] _cell_length_b [3.1...
0.792665
N/A
N/A
train
original data
P6_3/mmc
3,164
false
2,530
Mn4 V2 C4 S2
data_[Mn4V2C4S2] 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 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 [2.9918] _cell_length_b [2.991...
0.22019
N/A
N/A
validation
original data
P6_3/mmc
5,542
false
5,525
Ta2 Ti4 Sn2 N4
data_[Ta2Ti4Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1278] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,137
false
4,115
Nb2 Mo2 As2 N2
data_[Nb2Mo2As2N2] 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 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 [3.2920] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
930
false
742
Hf2 Cr4 In2 C4
data_[Hf2Cr4In2C4] 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 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 [3.1395] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
521
false
407
Sn2 Mo2 W2 C2
data_[Sn2Mo2W2C2] 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_3mc] _cell_length_a [3.1909] _cell_length_b [3.190...
0.798068
N/A
N/A
train
original data
P6_3mc
3,925
false
3,134
Tl2 Cr4 W2 C4
data_[Tl2Cr4W2C4] 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 [3.1094] _cell_length_b [3.1...
0.767061
N/A
N/A
test
original data
P6_3/mmc
4,050
false
5,982
Sc4 Ti2 Ga2 N4
data_[Sc4Ti2Ga2N4] 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 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 [3.1268] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
797
false
632
Mn4 V2 In2 C4
data_[Mn4V2In2C4] 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_3/mmc] _cell_length_a [2.9800] _cell_length_b [2.9...
0.202855
N/A
N/A
train
original data
P6_3/mmc
5,070
false
4,059
Ga2 W4 C2
data_[Ga2W4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0627] _cell_length_b [3.0627] _cell_length_c [13.2376] _c...
0.223692
N/A
N/A
train
original data
P6_3/mmc
5,031
false
4,026
Ta4 Ti4 Al2 C6
data_[Ta4Ti4Al2C6] 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 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 [3.1186] _cell_length_b [3...
0.794647
N/A
N/A
train
original data
P6_3/mmc
2,773
false
2,218
Mn4 Si2 C2
data_[Mn4Si2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8198] _cell_length_b [2.8198] _cell_length_c [11.7793] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,988
false
3,992
Cr8 Pb2 N6
data_[Cr8Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0210] _cell_length_b [3.0210] _cell_length_c [22.0475] ...
0.289228
N/A
N/A
train
original data
P6_3/mmc
2,046
false
1,634
Cr2 P2 W2 C2
data_[Cr2P2W2C2] 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_3mc] _cell_length_a [3.1006] _cell_length_b [3.1006]...
0.762977
N/A
N/A
train
original data
P6_3mc
1,459
false
1,155
V4 Sn2 Mo4 C6
data_[V4Sn2Mo4C6] 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 [3.0890] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,422
false
3,544
Hf2 Zr2 Sn2 C2
data_[Hf2Zr2Sn2C2] 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 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 [3.3563] _cell_length_b [3.3...
0.792734
N/A
N/A
validation
original data
P6_3mc
814
false
5,044
Zr8 Ge2 N6
data_[Zr8Ge2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2602] _cell_length_b [3.2602] _cell_length_c [24.4227] ...
0.25944
N/A
N/A
train
original data
P6_3/mmc
2,006
false
1,602
Hf6 As2 C4
data_[Hf6As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3818] _cell_length_b [3.3818] _cell_length_c [17.8402] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,507
false
4,413
Ta4 Cr4 Cd2 N6
data_[Ta4Cr4Cd2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [2.9640] _cell_length_b [2...
1
N/A
N/A
validation
original data
P6_3/mmc
758
false
5,038
Hf2 Cr4 S2 N4
data_[Hf2Cr4S2N4] 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 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 [3.1757] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3/mmc
5,987
false
6,179
B14Fe2Y6
data_[Y12Fe4B28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.4134] _cell_length_b [15.7272] _cell_length_c [9.3068] _cel...
0.799167
N/A
null
train
synthetic, MP or NOMAD
Cmcm
253
true
4,941
Ti2 Cr2 Sn2 N2
data_[Ti2Cr2Sn2N2] 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 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 [3.1206] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
2,112
false
1,686
Hf6 Pb2 N4
data_[Hf6Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2165] _cell_length_b [3.2165] _cell_length_c [20.5843] ...
0.272598
N/A
N/A
validation
original data
P6_3/mmc
5,259
false
5,500
Ti6 C4 S2
data_[Ti6C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.1645] _cell_length_b [3.1645] _cell_length_c [16.2016] _c...
0.232143
N/A
N/A
train
original data
P6_3/mmc
3,591
false
2,871
Nb4 Cr2 As2 N4
data_[Nb4Cr2As2N4] 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 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 [3.0781] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,563
false
1,239
Ti2 V2 Sn2 N2
data_[Ti2V2Sn2N2] 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 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 [3.1495] _cell_length_b [3.149...
1
N/A
N/A
train
original data
P6_3mc
548
false
424
Mn4 Cr2 Pb2 N4
data_[Mn4Cr2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0280] _cell_length_b [3...
0.261688
N/A
N/A
train
original data
P6_3/mmc
2,352
false
1,876
Ta4 Mn2 Tl2 N4
data_[Ta4Mn2Tl2N4] 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 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 [3.0595] _cell_length_b [3...
0.270423
N/A
N/A
train
original data
P6_3/mmc
1,150
false
910
Hf2 Ge2 W4 N4
data_[Hf2Ge2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1417] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
4,343
false
5,411
Ti4 Nb4 Al2 N6
data_[Ti4Nb4Al2N6] 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 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 [3.0685] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
689
false
545
Ta4 Mo2 P2 N4
data_[Ta4Mo2P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0650] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,429
false
4,347
Cd2 Mo2 W4 C4
data_[Cd2Mo2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [3.0532] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,302
false
4,248
Mn6 Pb2 C4
data_[Mn6Pb2C4] 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 [3.0538] _cell_length_b [3.0538] _cell_length_c [16.9035] ...
0.000002
N/A
N/A
train
original data
P6_3/mmc
5,411
false
4,331
Ta4 Cr2 As2 C4
data_[Ta4Cr2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [3.2366] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
556
false
430
Nb2 Tl2 Mo2 C2
data_[Nb2Tl2Mo2C2] 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_3mc] _cell_length_a [3.2203] _cell_length_b [3.2...
0.79671
N/A
N/A
train
original data
P6_3mc
3,245
false
2,598
Ta2 Si2 Mo2 C2
data_[Ta2Si2Mo2C2] 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 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 [3.1837] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3mc
999
false
800
Ta4 Cr2 Cd2 N4
data_[Ta4Cr2Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [3.0039] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
3,930
false
5,973
Mn4 Nb2 P2 N4
data_[Mn4Nb2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1298] _cell_length_b [3.1...
0.26368
N/A
N/A
train
original data
P6_3/mmc
3,025
false
2,415
Hf4 Ti2 Pb2 N4
data_[Hf4Ti2Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1645] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,591
false
4,478
Ta4 Ti4 Cd2 C6
data_[Ta4Ti4Cd2C6] 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 [3.1349] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,578
false
2,054
Hf4 Tl2 Cr2 N4
data_[Hf4Tl2Cr2N4] 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 [3.2487] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,993
false
2,387
Zr4 Ti4 Cd2 N6
data_[Zr4Ti4Cd2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1666] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
272
false
4,991
Nb8B6C4
data_[Nb16B12C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2287] _cell_length_b [37.5440] _cell_length_c [3.1331] _cel...
0.496982
N/A
null
train
synthetic, MP or NOMAD
Cmcm
110
true
4,874
Nb4 Cr2 Sn2 N4
data_[Nb4Cr2Sn2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0819] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,384
false
2,715
Mn4B8F32
data_[Mn4B8F32] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.5337] _cell_length_b [5.4249] _cell_length_c [10.7586] _cell...
0.495978
N/A
null
train
synthetic, MP or NOMAD
Pnma
177
true
4,912
Hf4 Nb2 Tl2 C4
data_[Hf4Nb2Tl2C4] 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_3/mmc] _cell_length_a [3.3082] _cell_length_b [3...
0.794787
N/A
N/A
train
original data
P6_3/mmc
2,439
false
1,948
Mo2 As2 W2 C2
data_[Mo2As2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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_3mc] _cell_length_a [3.2259] _cell_length_b [3.225...
0.798068
N/A
N/A
train
original data
P6_3mc
1,928
false
1,536
Mn4 Ga2 W2 N4
data_[Mn4Ga2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9429] _cell_length_b [2.9...
0.244605
N/A
N/A
train
original data
P6_3/mmc
5,800
false
4,642
Hf4 Zr2 Cd2 C4
data_[Hf4Zr2Cd2C4] 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 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 [3.3166] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,699
false
4,566
Hf2 Mn4 Sn2 N4
data_[Hf2Mn4Sn2N4] 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 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 [3.1344] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,673
false
2,941
Hf2 Ge2 Mo4 C4
data_[Hf2Ge2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1432] _cell_length_b [3...
0.796096
N/A
N/A
validation
original data
P6_3/mmc
5,340
false
5,507
Zr2 Ga2 Mo2 C2
data_[Zr2Ga2Mo2C2] 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 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 [3.1892] _cell_length_b [3.1...
0.797972
N/A
N/A
train
original data
P6_3mc
196
false
156
Cr56C24
data_[Cr56C24] 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 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [13.9380] _cell_length_b [13.9380] _cell_length_c [4.4766] _cell_angle_alpha [90.0000] _ce...
0.599674
N/A
null
train
synthetic, MP or NOMAD
P6_3mc
24
false
4,822
Ti2 In2 Mo4 C4
data_[Ti2In2Mo4C4] 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 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 [3.0453] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,330
false
3,465
Ti6 P2 C4
data_[Ti6P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.1459] _cell_length_b [3.1459] _cell_length_c [16.4783] _c...
0.212686
N/A
N/A
train
original data
P6_3/mmc
5,306
false
4,251
Hf4 Cr2 Sn2 C4
data_[Hf4Cr2Sn2C4] 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 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 [3.2289] _cell_length_b [3...
0.764463
N/A
N/A
train
original data
P6_3/mmc
2,259
false
1,796
Ta4 Mn2 In2 C4
data_[Ta4Mn2In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1497] _cell_length_b [3...
0.204884
N/A
N/A
train
original data
P6_3/mmc
4,104
false
3,280
Mn4 C2 S2
data_[Mn4C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0360] _cell_length_b [3.0360] _cell_length_c [10.3747] _c...
0.000001
N/A
N/A
validation
original data
P6_3/mmc
3,291
false
5,296
Al2 V2 Cr4 N4
data_[Al2V2Cr4N4] 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 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 [2.9056] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,522
false
4,424
Zr2 Mn2 Pb2 C2
data_[Zr2Mn2Pb2C2] 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 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 [3.3009] _cell_length_b [3.3...
0.216754
N/A
N/A
train
original data
P6_3mc
5,750
false
4,605
Sc6 Si2 C4
data_[Sc6Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2648] _cell_length_b [3.2648] _cell_length_c [19.7881] ...
0.220663
N/A
N/A
train
original data
P6_3/mmc
3,743
false
2,995
Zr4 Mo4 As2 N6
data_[Zr4Mo4As2N6] 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 [3.2415] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,717
false
5,854
Ta4 In2 Mo4 N6
data_[Ta4In2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.1169] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,299
false
3,445
Zr2 Mn4 Al2 C4
data_[Zr2Mn4Al2C4] 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 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 [3.0567] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,462
false
2,773
Nb8 Sn2 C6
data_[Nb8Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1876] _cell_length_b [3.1876] _cell_length_c [24.7053] ...
0.20516
N/A
N/A
train
original data
P6_3/mmc
306
false
242
Sc2 As2 W4 C4
data_[Sc2As2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1984] _cell_length_b [3.1...
0.796918
N/A
N/A
train
original data
P6_3/mmc
5,580
false
4,469
Ti2 Mo2 S2 N2
data_[Ti2Mo2S2N2] 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 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 [3.2102] _cell_length_b [3.210...
1
N/A
N/A
train
original data
P6_3mc
1,680
false
1,333
Ta2 P2 W2 C2
data_[Ta2P2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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_3mc] _cell_length_a [3.2507] _cell_length_b [3.2507]...
0.798068
N/A
N/A
train
original data
P6_3mc
5,220
false
4,180
Ta4 As2 N2
data_[Ta4As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.3125] _cell_length_b [3.3125] _cell_length_c [11.9105] ...
0.259014
N/A
N/A
train
original data
P6_3/mmc
5,265
false
4,216
Zr4 Nb4 S2 N6
data_[Zr4Nb4S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2159] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3/mmc
577
false
5,659
Hf4 Ti4 Pb2 N6
data_[Hf4Ti4Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1305] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,755
false
5,142
Tl2 Mo8 N6
data_[Tl2Mo8N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8883] _cell_length_b [2.8883] _cell_length_c [27.1278] ...
0.262372
N/A
N/A
train
original data
P6_3/mmc
2,668
false
2,130
Al2 W8 N6
data_[Al2W8N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_3/mmc] _cell_length_a [2.8125] _cell_length_b [2.8125] _cell_length_c [26.9142] _c...
0.282348
N/A
N/A
train
original data
P6_3/mmc
5,465
false
4,377
Zr4 Ge2 Mo4 N6
data_[Zr4Ge2Mo4N6] 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 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 [3.2914] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,400
false
1,111
Hf4 Mo2 Pb2 N4
data_[Hf4Mo2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 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 [3.4021] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,872
false
4,700
V2 Cr4 P2 C4
data_[V2Cr4P2C4] 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 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 [2.9451] _cell_length_b [2.945...
0.760665
N/A
N/A
test
original data
P6_3/mmc
3,885
false
5,966
Mo4 P2 N2
data_[Mo4P2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0076] _cell_length_b [3.0076] _cell_length_c [12.4699] _c...
0.237722
N/A
N/A
train
original data
P6_3/mmc
1,064
false
845
Ti2 Cr4 P2 C4
data_[Ti2Cr4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9953] _cell_length_b [2.9...
0.755117
N/A
N/A
train
original data
P6_3/mmc
5,501
false
4,407
Hf4 Mn4 Ge2 C6
data_[Hf4Mn4Ge2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1434] _cell_length_b [3...
0.214403
N/A
N/A
train
original data
P6_3/mmc
617
false
483
Ti2 Mo2 P2 N2
data_[Ti2Mo2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1454] _cell_length_b [3.145...
1
N/A
N/A
train
original data
P6_3mc
4,612
false
3,700
Sc4 Mn4 Tl2 C6
data_[Sc4Mn4Tl2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1353] _cell_length_b [3...
0.231192
N/A
N/A
train
original data
P6_3/mmc
4,583
false
3,676
Sc4 As2 W4 C6
data_[Sc4As2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1536] _cell_length_b [3.1...
0.795977
N/A
N/A
train
original data
P6_3/mmc
3,807
false
3,044
Mn4 Cr4 Si2 C6
data_[Mn4Cr4Si2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8744] _cell_length_b [2...
0.176888
N/A
N/A
test
original data
P6_3/mmc
1,388
false
5,735
Ta4 V2 Sn2 C4
data_[Ta4V2Sn2C4] 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 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 [3.1446] _cell_length_b [3.1...
0.795634
N/A
N/A
train
original data
P6_3/mmc
929
false
741
Ta4 Ti2 In2 C4
data_[Ta4Ti2In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1411] _cell_length_b [3...
0.797016
N/A
N/A
train
original data
P6_3/mmc
1,057
false
840
Ta2 Mn2 Cd2 N2
data_[Ta2Mn2Cd2N2] 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_3mc] _cell_length_a [3.0687] _cell_length_b [3.0...
0.261382
N/A
N/A
train
original data
P6_3mc
2,389
false
1,907
Mn6 Ge2 N4
data_[Mn6Ge2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7820] _cell_length_b [2.7820] _cell_length_c [17.2250] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,536
false
3,639
V4 Si2 C2
data_[V4Si2C2] 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 [2.9502] _cell_length_b [2.9502] _cell_length_c [12.0179] _c...
0.22536
N/A
N/A
train
original data
P6_3/mmc
5,469
false
4,379
Ta4 Ga2 N2
data_[Ta4Ga2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9733] _cell_length_b [2.9733] _cell_length_c [14.4466] ...
0.26059
N/A
N/A
train
original data
P6_3/mmc
3,764
false
3,012
Tl2 Cr2 Mo4 C4
data_[Tl2Cr2Mo4C4] 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 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 [3.0653] _cell_length_b [3...
0.764906
N/A
N/A
train
original data
P6_3/mmc
339
false
271
Ta2 Mn2 In2 C2
data_[Ta2Mn2In2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1134] _cell_length_b [3.1...
0.21577
N/A
N/A
train
original data
P6_3mc
1,346
false
1,069
V4 As2 C2
data_[V4As2C2] 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 [3.1041] _cell_length_b [3.1041] _cell_length_c [11.4029] _c...
0.200566
N/A
N/A
train
original data
P6_3/mmc
2,847
false
2,274