mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-571160
-6.387259
-6.368292
2.147772
other
Tl4Pt2
6
140
135.83
mp-1071504
-5.259709
-2.91284
3.993368
other
Ti4B2
6
140
77.29
mp-569891
-5.580313
-2.478916
3.377836
other
Nb10Ge6
16
140
278.36
mp-1106120
-5.687038
-7.45996
3.206983
other
Sr10Tl6
16
140
639.4
mp-22752
-7.274898
-3.870462
2.659383
other
Fe2Sn4
6
140
116.45
mp-1189767
-7.178705
-6.805781
5.56557
other
La10Tl6
16
140
530.03
mp-17615
-5.653249
-2.059607
3.596863
other
Ta10Ge6
16
140
263.97
mp-1204272
-8.934002
-5.885468
6.466298
other
Y42Ir28
70
140
1,614.64
mp-21318
-7.249736
-5.83729
2.029284
other
Pt2Pb4
6
140
143.28
mp-16223
-6.023546
-3.692909
-2.244283
other
Tl8Te8
16
140
541.33
mp-1207164
2.058519
2.380033
-3.132298
other
I2N4
6
140
223.32
mp-1188934
-6.276929
-6.65747
3.913955
other
Eu10Ge6
16
140
468.29
mp-1841
-7.796101
-2.043093
4.149338
original
Si2Ir6
8
140
110.3
mp-1385977
9.411786
1.044084
-0.371948
other
Mn2F8
10
140
151.49
mp-1105936
-5.770727
-1.836172
4.91316
other
Cr6Si10
16
140
202.42
mp-1836
-4.408251
-3.129764
-3.966694
other
Tl4Se4
8
140
235.34
mp-1205201
-8.827148
-6.085171
6.477707
other
Dy42Rh28
70
140
1,528.24
mp-20086
-7.355771
-3.842651
2.521489
other
Mn2Sn4
6
140
118.91
mp-22142
-4.449119
-2.95557
-3.835368
other
Si2Se4
6
140
196.06
mp-1105959
-5.577178
-1.010788
3.867854
other
Re10Si6
16
140
221.9
mp-1406123
8.6844
1.947813
-0.863112
other
Ni2F8
10
140
151.36
mp-1100783
-4.920427
-7.464439
3.507013
other
Sr4Mg2
6
140
268.6
mp-1271079
9.346243
0.987364
-0.809784
other
Co4F12
16
140
226.69
mp-628
-6.348554
-3.503925
4.008313
other
Zr4Co2
6
140
110.1
mp-1196999
-8.71538
-6.093743
6.482734
other
Y42Rh28
70
140
1,579.67
mp-1188102
-6.072873
-0.995374
3.811343
other
V10Si6
16
140
208.47
mp-1189525
-4.017167
-3.598465
-2.26022
other
U6Se10
16
140
354.8
mp-1094140
-6.882747
-1.230256
4.627771
original
Mn2Ge4
6
140
89.85
mp-30572
-6.170425
-3.558015
4.166289
other
Hf4Ga2
6
140
116.87
mp-1198700
-9.039092
-5.714309
6.417676
other
Tb42Ir28
70
140
1,625.07
mp-1188462
-5.471609
-2.309564
3.631172
other
Ta10Ga6
16
140
271.65
mp-1105020
-5.830101
-4.434861
3.492445
other
Pu12Co2
14
140
289.11
mp-1200753
-8.869984
-5.861595
6.376236
other
Ho42Rh28
70
140
1,507.88
mp-936219
8.577689
8.474881
0.018845
other
K4O2
6
141
175.83
mp-30802
-9.387774
-5.989821
4.137162
other
Nd2Zn22
24
141
372.17
mp-7790
0.560426
1.205767
2.900564
other
Ti4N2
6
141
75.79
mp-1213922
5.568346
5.136003
-3.965749
other
Cl8O8
16
141
1,843.82
mp-1018026
-7.511283
-6.867964
2.712018
other
Li2Ag2
4
141
65.62
mp-567914
-1.10869
2.19848
-3.11508
other
Te8I32
40
141
1,817.63
mp-554267
15.601978
5.674189
0.373752
other
Si16O32
48
141
827.84
mp-1080352
-4.276928
-4.978907
-3.418925
other
Ce16Se32
48
141
4,111.62
mp-1179275
10.426061
7.145343
-2.240542
other
Si16O36
52
141
848.63
mp-571407
-6.27113
-4.614858
3.133923
other
U2Pb2
4
141
108.5
mp-1016059
0.69181
3.107558
1.511359
other
Cr16N32
48
141
1,354.1
mp-33234
7.35835
8.472654
-2.016034
other
Rb2O4
6
141
171.99
mp-12750
-6.926894
-4.498163
5.406526
other
Sm2Ge4
6
141
137.09
mp-1365799
15.584941
5.613279
0.271435
other
Si16O32
48
141
2,791.32
mp-864767
-9.490941
-5.828598
3.945054
other
Yb2Zn22
24
141
389.79
mp-7284
-5.180671
-3.344605
5.032952
other
U2Si4
6
141
104.77
mp-33104
12.075233
8.712547
1.920074
other
Sm4O2
6
141
131.89
mp-1209585
-8.584272
-6.303641
4.330944
other
Yb8Zn22
30
141
648.99
mp-23235
1.37839
2.02919
-4.617081
other
U2Cl8
10
141
265.79
mp-1072248
-4.158448
-5.039527
5.675807
other
Eu2Si4
6
141
125.27
mp-1208561
0.683136
1.46334
-3.294731
other
Th4Br8
12
141
2,513.46
mp-10213
-6.872533
-4.57675
5.44194
other
Y2Ge4
6
141
132.89
mp-27954
4.872056
3.253535
-3.57476
other
Cu4N12
16
141
251.8
mp-1072982
-6.931789
-4.638546
5.47479
other
Gd2Ge4
6
141
131.77
mp-27760
-4.811133
-4.253262
6.102535
other
Pr2Si4
6
141
127.08
mp-20800
-7.145749
-5.087902
4.490103
other
Zr4In8
12
141
266.27
mp-21192
-4.674782
-4.315879
6.101184
other
Gd2Si4
6
141
116.59
mp-1210739
-5.561054
-6.931055
5.510664
other
Mg8Al12
20
141
399.05
mp-1200700
-9.336758
-6.099393
4.401482
other
Pr6Zn44
50
141
817.93
mp-31216
-7.508734
-6.979588
2.633975
other
Ba2Cd22
24
141
567.08
mp-1104060
2.930773
-0.425434
-1.854556
other
Nd4H10
14
141
161.8
mp-28893
-5.026997
0.058182
3.426637
other
Re8B8
16
141
222.1
mp-714904
5.414103
11.376914
-2.523619
other
Fe4O8
12
141
147.24
mp-1072167
1.597286
2.21353
0.382216
other
Eu2N4
6
141
122.53
mp-1727
-4.030345
-5.299151
5.548659
other
Sr2Si4
6
141
136.5
mp-623108
-5.791932
-7.190443
3.716256
other
Eu8Ir2
10
141
351.97
mp-1228838
-5.091925
-3.43912
-0.991801
other
As4Se2
6
141
132.22
mp-1179447
15.675434
5.633942
0.392838
other
Si8O16
24
141
450.66
mp-1102374
-6.486864
-4.990342
2.880637
other
Pu4Pb8
12
141
346.3
mp-1208314
0.506768
0.98256
-3.211864
other
Th4Cl8
12
141
315.78
mp-755690
12.781514
10.895487
2.177253
other
Nb2O4
6
141
72.72
mp-571191
-9.433459
-5.889897
4.181639
other
La2Zn22
24
141
378.2
mp-32780
1.635771
2.646365
-5.299798
other
Au4Cl4
8
141
205.92
mp-22216
-4.017626
-1.353895
-5.782621
other
In16S24
40
141
961.99
mp-570140
-0.285989
1.577101
-4.522877
other
Au4Br4
8
141
235.61
mp-1214857
2.104876
2.773772
-4.322637
other
Au2Cl8
10
141
844.52
mp-555700
15.719179
5.609161
0.419579
other
Si16O32
48
141
862.57
mp-27953
-0.13683
2.285833
2.343979
other
Mo4N2
6
141
71.99
mp-11440
-6.961223
-3.681635
4.697021
other
Hf4Ga8
12
141
205.51
mp-1228819
-4.829924
-3.325273
-1.32887
other
As4S2
6
141
122.26
mp-1199143
-9.30131
-6.113276
4.341532
other
Nd6Zn44
50
141
812.22
mp-1077404
-4.34306
-4.98741
5.932183
other
Yb2Si4
6
141
120.54
mp-567471
-0.863408
2.362619
-3.321849
other
Hg8I16
24
141
1,029.35
mp-723629
-1.151509
2.557314
-2.696177
other
Na2I2
4
141
164.07
mp-12597
-5.443195
-1.977291
2.762705
other
Ta2P2
4
141
64.15
mp-1209992
-3.319901
-4.823821
1.23828
other
Nb4P8
12
141
391.22
mp-27474
-0.631105
0.774185
-3.461251
other
Pa2Br8
10
141
320.35
mp-19761
-6.93196
-4.509456
5.351977
other
La2Ge4
6
141
146.39
mp-583684
-7.554443
-6.969683
2.651196
other
Eu2Cd22
24
141
550.27
mp-18759
9.166452
14.90539
-0.467586
other
Mn6O8
14
141
155.51
mp-1213180
-8.681112
-6.801188
5.030093
other
Nd8Zn22
30
141
673.13
mp-21105
-4.843665
-4.164284
5.302879
other
Pu2Si4
6
141
112.92
mp-10128
-6.905969
-4.76231
5.389934
other
Th2Ge4
6
141
139.13
mp-1104579
2.856852
-0.475947
-1.760796
other
Ce4H10
14
141
169.82
mp-1014261
8.096347
11.116488
-0.695981
other
Ir2O4
6
141
75.35
mp-1103021
-6.697019
-6.640597
3.706022
other
Pr4Pb8
12
141
364.91
mp-569954
-7.53405
-6.99195
2.619191
other
Sr2Cd22
24
141
556.03