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-12241
-5.30467
-5.887639
0.726403
other
Ca22Sb20
42
139
1,245.41
mp-1009834
-7.268332
-1.731638
5.510328
other
Al2Ru1
3
139
41.12
mp-972069
-5.777204
-2.987525
3.898266
other
Ti3Ga1
4
139
64.98
mp-975461
-7.343002
-7.62926
1.796257
other
Hg3Sb1
4
139
104.97
mp-1183587
-6.039162
-5.939723
0.982836
other
Cd3As1
4
139
89.35
mp-1186919
-6.0751
-4.480639
0.842016
other
Sb3W1
4
139
89.11
mp-1104551
-9.472502
-5.953076
4.020226
other
Dy1Zn12
13
139
196.05
mp-978849
-7.419238
-6.893582
7.081478
other
Sm3Mg1
4
139
122.95
mp-1186635
-7.102891
-7.025236
7.510069
other
Pm1Pr3
4
139
144.11
mp-1186034
-5.429653
-7.26361
2.93449
other
Na3Ag1
4
139
105.78
mp-1018179
-8.456587
-5.836598
2.450128
other
Al1Au2
3
139
49.16
mp-999438
-5.54795
-2.413514
3.605665
other
Nb3Fe1
4
139
66.44
mp-974862
-4.057567
-7.035014
1.701209
other
Rb3Na1
4
139
308.7
mp-1183620
-5.45688
-7.413183
4.024989
other
Ca1Eu3
4
139
176.17
mp-1879
-2.972046
-3.317327
-4.252063
other
Sm2S2
4
139
163.55
mp-1079812
-3.404255
1.427947
2.840695
other
B9N1
10
139
866.8
mp-1185519
-7.641827
-1.588774
4.573718
other
Lu1Ru3
4
139
64.16
mp-1217135
12.416698
9.413908
2.200552
other
Ti4O3
7
139
74.83
mp-974738
-4.737095
-7.633224
3.30952
other
K1Sr3
4
139
233.05
mp-1185109
-6.48192
-6.409234
6.275436
other
La3Ta1
4
139
117.83
mp-974616
-8.049087
-2.419132
2.842185
other
Pt3Rh1
4
139
60.12
mp-976423
-7.604039
-6.657564
6.787134
other
Nd3Pd1
4
139
113.75
mp-974997
-4.031369
-6.659498
1.667869
other
Rb3Ge1
4
139
189.02
mp-1186671
-6.777518
-6.84827
7.104947
other
Pm1Y3
4
139
134.07
mp-978829
-6.953115
-6.765264
7.24675
other
Sm3Hf1
4
139
119.68
mp-30383
-6.145578
-3.77762
4.073813
other
Hf2Au1
3
139
60.5
mp-1188030
-5.67205
-3.839496
3.9278
other
Zr3Cd1
4
139
88.63
mp-1185253
-6.296148
-7.328025
2.127534
other
Li1Tl3
4
139
104.5
mp-1183718
-8.17492
-0.502104
3.910568
other
Co3Os1
4
139
45.58
mp-12105
6.698756
6.027689
-3.738629
other
Rb1O2
3
139
57.73
mp-1187019
-3.013041
-0.950286
-3.497801
other
Se3Br1
4
139
122.64
mp-975222
-4.641231
-7.587546
3.234097
other
Rb1Sr3
4
139
243.62
mp-1206229
-6.589882
-5.683975
3.627419
other
Sm4Bi2
6
139
186.54
mp-981366
-8.268181
-5.798275
2.915329
other
Zn3N1
4
139
48.69
mp-973461
-7.133357
-7.623002
2.066553
other
Hg3C1
4
139
79.1
mp-30358
-8.576451
-7.010145
3.490271
other
Tb1Ag2
3
139
63.84
mp-974869
-3.824448
-7.163255
2.201763
other
Rb3Nb1
4
139
224.1
mp-1185173
-3.915977
-7.299929
2.558215
other
K3Ti1
4
139
206.95
mp-1185879
-7.475793
-7.48544
1.902627
other
Mg1Hg3
4
139
89.59
mp-1187084
-5.752882
-4.664515
3.384639
other
Sm1Pu3
4
139
105.5
mp-1135
-8.309342
-4.441896
2.25745
other
Nb1Pd3
4
139
61.63
mp-1185252
-5.650802
-4.64349
3.393685
other
La1Pu3
4
139
118.77
mp-1186584
-7.082768
-6.987149
7.262951
other
Pm1Ho3
4
139
127.66
mp-1185157
-3.948186
-7.079764
2.398063
other
K3Pm1
4
139
226.23
mp-972300
-4.829414
-7.361621
3.887586
other
Sr3Lu1
4
139
186.05
mp-13452
-8.318208
-4.130231
2.353981
other
Be1Pd2
3
139
37.26
mp-971832
-6.876788
-6.394901
2.732414
other
Zn1In3
4
139
98.86
mp-1179454
15.752883
5.612432
0.404605
other
Si4O8
12
139
208.93
mp-985564
-6.00843
-1.096553
4.094723
other
In1Tc3
4
139
63.55
mp-1061691
-8.754273
-1.637476
2.724414
other
Mg1Ni2
3
139
38.46
mp-30305
-5.488943
-6.384025
0.992587
other
Sr22Bi20
42
139
1,548.06
mp-1181275
-7.284852
-6.23972
4.468389
other
La22Sn20
42
139
1,369.97
mp-1183813
-7.139506
-6.774297
7.077926
other
Ce1Tm3
4
139
119.87
mp-981547
2.943768
-0.472411
-1.847316
other
Pr1H3
4
139
41.27
mp-1183081
-6.171874
-7.985219
5.867504
other
Ac3Dy1
4
139
166.33
mp-1183333
-4.724442
-7.306655
3.672522
other
Ba3Y1
4
139
207.39
mp-1184931
-5.019461
-5.031359
4.380926
other
Ho1Np3
4
139
95.41
mp-29619
-5.228595
-6.390275
1.183225
other
Sr4Bi2
6
139
238.1
mp-1187551
-6.134776
-7.099865
2.012658
other
Tl3Zn1
4
139
112.16
mp-1100766
-8.415632
-1.504073
2.842779
other
Ni3Pt1
4
139
47.47
mp-1186273
-7.034145
-6.638416
6.653679
other
Nd3I1
4
139
133.49
mp-1185026
-5.382481
-7.184595
3.248507
other
K1Li3
4
139
126.33
mp-14015
-7.337013
-1.041842
4.470939
other
Ho1Mn12
13
139
204.34
mp-1187405
-6.378152
-5.984036
5.87958
other
Th3Cd1
4
139
120.91
mp-2775
-5.873455
-5.339754
5.347486
other
Sr1Al4
5
139
110.71
mp-976809
-5.306387
-1.534527
-3.695934
other
Ni3S1
4
139
44.43
mp-1187414
-6.060335
-5.92776
5.766659
other
Th3W1
4
139
108.13
mp-1186871
-3.920446
-6.89603
1.818168
other
Rb3Rh1
4
139
155.29
mp-976408
-6.681474
-7.020779
3.188879
other
Li3Ag1
4
139
65.28
mp-1183345
-4.691236
-7.357199
3.432149
other
Ba3Sr1
4
139
259.08
mp-1185793
-8.44147
-10.041518
6.1328
other
Mg3Tc1
4
139
71.11
mp-978524
-3.765918
-4.880116
5.841599
other
Si3Ag1
4
139
63.97
mp-984614
-7.932078
-5.891649
1.961995
other
Au3Br1
4
139
79.23
mp-1186366
-7.729481
-5.691003
1.91555
other
P1Au3
4
139
70.59
mp-1183083
-6.11829
-8.026441
5.793194
other
Ac3Y1
4
139
169.74
mp-11387
-7.138425
-3.88287
4.885395
other
Hf1Ga3
4
139
66.97
mp-1187544
-5.882501
-6.408288
1.424334
other
Tl3S1
4
139
113.7
mp-29635
-6.222506
-4.476832
3.197109
other
Pu4Ga4
8
139
175.33
mp-1203572
-6.950016
-4.348136
5.483169
other
Er22Ge20
42
139
940.32
mp-1186517
-7.138417
-7.181885
6.693525
other
Pm3Mg1
4
139
124.96
mp-1094249
-6.544804
-6.173599
2.072473
other
Mg1Sn3
4
139
102.18
mp-1186244
-7.063846
-7.005953
7.372324
other
Pm1Nd3
4
139
141.06
mp-1207004
-8.475996
-4.517532
2.774539
other
Hf1Pd2
3
139
50.35
mp-1190013
-7.299536
-2.206631
3.28677
other
Ti8Ni8
16
139
214.38
mp-1104067
-5.103211
-1.228162
4.667604
other
Ti1Be12
13
139
111.69
mp-1232418
-6.928446
-6.712792
6.8641
other
Ca1Tb3
4
139
133.58
mp-1185983
-5.496176
-3.605173
3.647738
other
Mg1Ta3
4
139
74.25
mp-861653
2.775681
-0.374979
-1.679617
other
Th1H3
4
139
40.92
mp-1184405
-5.527524
-7.404458
4.434961
other
Eu3Th1
4
139
154.68
mp-1072543
1.799289
2.134986
2.044861
other
Zr1N2
3
139
35.9
mp-1184656
-8.735997
-4.636292
2.087944
other
H1Pd3
4
139
54.46
mp-1183326
-6.531884
-7.312041
6.862183
other
Ba1Pm3
4
139
153.6
mp-973881
-7.067535
-7.031216
7.343331
other
Pm1Dy3
4
139
129.08
mp-1842
-6.35479
-2.756969
5.425087
other
Nb1Al3
4
139
63.1
mp-978974
-8.037311
-2.369499
3.423542
other
Sn1Rh3
4
139
60.75
mp-1184011
-9.360706
-4.8006
3.436055
other
Cu3Ag1
4
139
53.62
mp-1184268
-6.697479
-6.02586
3.375012
other
Ga3Hg1
4
139
83.6
mp-623452
-6.652102
-3.129924
1.50875
other
Mn3Bi1
4
139
68.74
mp-1184665
11.704367
9.238736
1.209525
other
Ge3O1
4
139
66.22
mp-2618
-8.53141
-7.032186
3.559191
other
Dy1Ag2
3
139
63.18