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-1193425
-7.571308
-4.770102
5.025786
other
Sm4Ga18Ni2Ge4
28
129
542.74
mp-612670
-3.94769
1.101295
2.794364
other
Y2Ni2B2C2
8
129
97.22
mp-1078949
-5.264097
-5.742339
0.865365
other
Ba2Mn2Sb2F2
8
129
213.11
mp-556194
-4.296841
-3.136431
-3.85369
other
Sr2Sb2Se4F2
10
129
250.99
mp-1210305
-5.886702
-3.432533
-1.849219
other
Na2Ce2Cu2Te8
14
129
397.22
mp-722329
8.360756
0.664926
-4.432364
other
H24C8I2N2
36
129
383.21
mp-1046617
7.243861
11.380257
1.802426
other
Sr4Mn2S2O6
14
129
234
mp-9304
10.47753
7.725461
3.13189
other
Dy2Cu2Se2O2
8
129
132.61
mp-13182
12.346505
7.669536
-0.894147
other
Li4Ti2Ge2O10
18
129
201.89
mp-21951
-7.937899
0.350137
3.777088
other
Er6Co58Si8B20
92
129
963.7
mp-1078472
-6.793643
-3.590454
3.011181
other
Ti2Cu2Ge2As2
8
129
123.12
mp-6084
-7.972143
0.373159
3.836073
other
La6Co58Si8B20
92
129
987.64
mp-1147567
9.269654
11.954649
1.65394
other
Ca2Ti2Cu2O8
14
129
166.91
mp-557825
8.512423
1.964122
-4.336177
original
H8C2N4O2
16
129
150.92
mp-604496
-5.565114
-2.269777
5.492826
other
Ce2Si2H2Ru2
8
129
126.02
mp-753331
8.485327
12.55145
-0.702302
other
Li2Ni4O4F2
12
129
110.19
mp-556507
8.068792
10.88706
1.33595
other
Sr8Fe4Br4O12
28
129
492.93
mp-552488
10.527738
7.858268
3.157203
other
La2Cu2Se2O2
8
129
146.14
mp-1104533
10.227412
10.275432
3.248952
other
Na2Pr2Ti2O8
14
129
187.01
mp-546790
10.980634
7.985198
2.901357
other
La2Cu2Te2O2
8
129
164.2
mp-10520
10.068182
10.650935
3.243392
other
Li2Nd2Ti2O8
14
129
171.99
mp-542314
10.196891
7.591783
3.234991
other
Nd2Cu2S2O2
8
129
131.46
mp-1080591
10.914213
7.672554
2.452505
other
Ca2Fe2As2F2
8
129
146.44
mp-756743
8.498532
11.163598
-3.182967
other
Li6Cr2Cl2O8
18
129
225.7
mp-23115
6.769438
10.755249
0.906199
other
Sr4Co2Cl2O6
14
129
225.16
mp-16092
-7.86507
0.337891
3.766215
other
Tm6Co58Si8B20
92
129
965
mp-1079500
1.396232
2.278594
1.511513
other
Ca2Ni2B2N2
8
129
95.29
mp-13339
-5.644814
-3.468903
-2.912017
other
Eu2Cu2Te2F2
8
129
164.33
mp-1304562
9.199749
8.195659
-3.080339
other
Li8Fe4Si4O20
36
129
370.3
mp-1078562
-3.826024
-2.453159
-5.408855
other
Sr2Ag2S2F2
8
129
154.12
mp-1214726
8.234093
10.381925
1.387484
other
Ba4Fe2Br2O6
14
129
273.69
mp-18809
12.887938
8.651494
-2.125712
other
Li8V4Ge4O20
36
129
401.21
mp-1227361
9.58728
8.198686
-0.520831
other
Ca2Bi4Br4O6
16
129
349.36
mp-1046652
6.311894
10.910492
0.617191
other
Sr4Fe2S2O6
14
129
232.59
mp-554116
8.32005
1.431405
1.169593
other
Ba2Pb4Br2F10
18
129
360.53
mp-510488
11.255463
7.916479
2.901706
other
Sm2Mn2Sb2O2
8
129
171.29
mp-1222840
-7.984507
-3.962488
3.88374
other
La2Ge4Pd2Rh2
10
129
194.84
mp-20881
1.38496
2.32238
1.702965
other
La2Ni2B2N2
8
129
104.38
mp-1218502
9.433214
8.218344
-0.417126
other
Sr2Bi4Br4O6
16
129
359.87
mp-1078903
-5.473863
-5.578055
0.735652
other
Sr2Zn2Sb2F2
8
129
179.69
mp-6228
12.243031
7.233404
-0.904676
other
Na4Ti2Ge2O10
18
129
236.44
mp-6188
-3.912729
1.145525
2.798292
other
Lu2Ni2B2C2
8
129
92.35
mp-559893
8.587078
10.288567
-0.535951
other
Li2Bi2Pd4O8
16
129
217.98
mp-23116
9.798065
8.585255
-0.522771
other
Cu2Bi2Se2O2
8
129
141.46
mp-755733
10.951348
7.403552
-3.088787
other
Li4Mn2Si2O10
18
129
182.85
mp-1078698
-6.501348
-3.577616
2.952102
other
Zr2Cu2Ge2As2
8
129
133.22
mp-1106241
8.639258
11.345534
2.06922
other
Ba2Tb2Mn4O10
18
129
248.87
mp-549589
11.202738
7.842762
2.886413
other
La2Zn2As2O2
8
129
154.9
mp-1080105
11.022995
8.176525
2.72957
other
Ce2As2Ru2O2
8
129
136.4
mp-19956
9.474302
8.694684
1.839705
other
Ba4In2O6F2
14
129
253.55
mp-22392
8.347398
2.315983
2.566853
other
Sm2Cu2Se2F2
8
129
136.81
mp-1078328
-2.82708
-2.913237
-5.637646
other
La2Bi2S4O2
10
129
235.27
mp-1206363
10.87033
8.688769
0.67628
other
Y1Zn2As1O2
6
123
144.86
mp-1036171
17.187414
9.729124
7.023862
other
Ba1Mg14Mn1O16
32
123
346.79
mp-1222832
-5.501428
-0.81245
1.225086
other
La1Pr1Co4P4
10
123
158.06
mp-1223026
8.663828
10.901896
1.462392
other
La4Ni3Mo1O12
20
123
248.76
mp-1030999
16.485834
9.73952
6.157102
other
Na1Ce1Mg6O8
16
123
180.94
mp-1037122
17.279844
9.887671
6.715485
other
Mg30Ti1Co1O32
64
123
621.02
mp-1522925
5.920877
11.250431
-1.379586
other
Ba1Nd1Ni4O12
18
123
232.13
mp-1035459
17.201643
9.561933
7.129045
other
Mg14Fe1C1O16
32
123
309.73
mp-1040361
17.522902
9.870586
7.14298
other
Li1Mg30Ti1O32
64
123
616.82
mp-1034738
17.594814
9.720352
7.556974
other
Sr1Mg14Ni1O16
32
123
327.27
mp-1099602
6.454232
10.57751
-0.251561
other
Ba3Sr1Cu4O12
20
123
257.37
mp-1038112
17.057699
9.920432
6.375818
other
Mg30Ti1Mn1O32
64
123
624.39
mp-1035238
17.170307
9.488514
7.504925
other
Mg14Cu1C1O16
32
123
306.2
mp-1099241
15.711723
9.684968
4.945716
other
Mg6Mn1Sn1O8
16
123
177.64
mp-1031724
16.327787
9.853265
5.566787
other
Ba1Mg6V1O8
16
123
194.15
mp-1209735
-3.097048
-2.077951
-3.769938
other
Pr2Cu1S2O1
6
123
195.29
mp-1037737
16.989697
9.979598
6.135428
other
Y1Mg30V1O32
64
123
641.97
mp-1037834
17.278851
9.942027
6.699967
other
Ca1Mg30Sn1O32
64
123
644.1
mp-1247713
7.112116
11.898137
1.687237
other
Ca8Ti3Mn5O24
40
123
452.67
mp-1038619
17.564463
9.74748
7.40521
other
Sr1Mg30C1O32
64
123
633.93
mp-1031101
16.872519
9.689153
6.632992
other
Li1Mg6Bi1O8
16
123
175.08
mp-1037237
16.616528
9.934386
5.697061
other
Y1Hf1Mg30O32
64
123
651.7
mp-1037821
16.835052
9.925532
5.995265
other
Mg30Mn1Nb1O32
64
123
628.41
mp-1040196
17.522373
9.67151
7.481642
other
K1Mg30B1O32
64
123
625.68
mp-1214579
-3.345723
-6.244803
1.334346
other
Ba2Mn1P2F1
6
123
224.29
mp-1037925
17.464661
9.891964
7.025559
other
Ca1Mg30Cr1O32
64
123
631.09
mp-1218474
6.12871
11.102815
0.215497
other
Sr3Fe2Ru1O9
15
123
184.96
mp-1032743
16.304337
9.831919
5.539093
other
Y1Mg6Zn1O8
16
123
176.82
mp-1038045
17.496944
9.853251
7.128996
other
Ca1Mg30Fe1O32
64
123
629.41
mp-1037802
17.528566
9.848234
7.212243
other
Ca1Mg30Mn1O32
64
123
631.16
mp-1520433
6.825266
11.169394
-1.129665
other
Sr1Eu1Mn4O12
18
123
283.01
mp-1031644
15.024756
9.686003
4.102125
other
Mg6Ti1V1O8
16
123
160.59
mp-1030814
14.114525
9.525367
3.273944
other
Hf1Mg6Si1O8
16
123
183.89
mp-2242058
9.019195
10.602874
0.916419
other
Eu1Mg1Co1O3
6
123
105.31
mp-1039822
17.180315
9.884274
6.675575
other
Ba1Mg30Si1O32
64
123
654.38
mp-1033389
13.474204
9.637666
2.403623
other
Hf1Mg6Nb1O8
16
123
168.5
mp-1031823
15.440642
9.710874
4.418833
other
Mg6Nb1Ni1O8
16
123
162.24
mp-1038385
17.166618
9.944556
6.453081
other
Mg30Al1Fe1O32
64
123
624.1
mp-1034035
16.651861
9.894562
5.818762
other
Mg14Ti1Cd1O16
32
123
322.08
mp-1037958
17.268713
9.927893
6.747535
other
Ba1Mg30Al1O32
64
123
653.52
mp-1033815
15.013419
9.670166
4.25896
other
Hf1Mg14Nb1O16
32
123
329.58
mp-1036838
17.678068
9.820949
7.486043
other
Sr1Mg30Ni1O32
64
123
634.81
mp-1035527
17.179777
9.805333
6.6144
other
Li1Mg14Si1O16
32
123
308.09
mp-1033762
16.758341
9.856627
6.074104
other
Mg14Cd1Bi1O16
32
123
345.84
mp-1032997
16.489805
9.903187
5.545826
other
Ca1Mg6V1O8
16
123
167.18
mp-1031781
15.960221
9.773063
5.272294
other
Ca1Mg6Bi1O8
16
123
192.55
mp-1032894
17.533451
9.798182
7.4961
other
Ca1Mg6Zn1O8
16
123
165.79
mp-1032565
15.976353
9.756325
5.245233
other
Mg6Zn1Bi1O8
16
123
182.75