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-571643
-6.505607
-5.964152
3.889894
other
Yb22Ge20
42
139
1,026.98
mp-1184258
-6.133297
-5.651113
2.824244
other
Ga3Sb1
4
139
88.74
mp-1186989
-7.5124
-1.770188
4.471461
other
Sc1Os3
4
139
62.11
mp-2336
-6.649214
-4.882975
5.990932
other
Pr1Al4
5
139
103.4
mp-1186990
-6.772657
-6.657036
2.945194
other
Sc1Pb3
4
139
113.6
mp-1186189
-6.238384
-7.382039
2.278119
other
Na1Tl3
4
139
112.34
mp-1072244
-3.240627
-2.426826
-5.278841
other
Eu3S3
6
139
240.73
mp-1187360
-6.237374
-6.252514
6.156058
other
Tb1Ce3
4
139
111.94
mp-1185117
-6.675408
-6.484256
6.427336
other
La3Nb1
4
139
117.21
mp-1094174
-7.806185
-9.329186
6.551061
other
La1Mg3
4
139
105.06
mp-1018149
-9.312522
-4.728358
4.447544
other
Sc1Cu2
3
139
44.67
mp-1183230
-7.159186
-7.060688
7.302008
other
Ac1Sm3
4
139
146.52
mp-1299
-6.7738
-3.621568
3.360591
other
Si1Pt2
3
139
46.44
mp-1184916
-3.93999
-7.254116
2.085533
other
K3Mn1
4
139
197.19
mp-24726
2.770348
-0.378436
-1.704318
other
Ti1H2
3
139
21.37
mp-975882
-6.487892
-6.878088
3.477107
other
Li3Cu1
4
139
58.83
mp-1185133
-6.756505
-7.178394
7.193237
other
La1Pm3
4
139
141.64
mp-1184875
-4.104136
-6.91728
2.120674
other
K3Ir1
4
139
127.62
mp-1183214
-8.145988
-6.415798
1.924349
other
Ag3Au1
4
139
69.52
mp-1183217
-6.979472
-6.809401
6.971697
other
Ac1Tb3
4
139
140.77
mp-1222037
-6.649333
-6.843592
2.888636
other
Mg1In2
3
139
71.91
mp-982373
-7.028588
-7.209307
6.833593
other
Pm3Zn1
4
139
114.25
mp-1147532
-0.472068
1.358247
-4.280719
other
Cu1Br2
3
139
182.61
mp-1070844
-8.168185
-4.051268
3.128862
other
Th2Pt4
6
139
126.51
mp-1063517
-8.147014
-5.039179
2.853384
other
Yb1Pd2
3
139
64.47
mp-975337
7.863887
1.603395
-0.709505
other
Rb1F3
4
139
71.84
mp-1183700
-6.121081
-1.19766
2.575957
other
Cr3As1
4
139
49.3
mp-974758
-4.259846
-7.03776
1.508919
other
Rb3Tl1
4
139
243.27
mp-985278
8.455214
1.392181
1.865832
other
Ac1F3
4
139
53.63
mp-1077777
-6.526216
-5.748306
3.482783
other
Pr4Bi2
6
139
199.56
mp-1423
-2.110325
0.427432
2.40517
other
Ho1C2
3
139
41.09
mp-1185114
-4.065342
-7.160644
2.048614
other
K3Re1
4
139
170.54
mp-1184897
-3.771585
-7.214156
2.464396
other
K3Nb1
4
139
193.62
mp-1183353
-4.698272
-7.286194
3.640815
other
Ba3Sm1
4
139
211.99
mp-10909
-5.452978
-1.102044
3.778766
other
Al1Re2
3
139
42.77
mp-1183092
-6.53106
-7.962441
5.354784
other
Ac3Zn1
4
139
147.79
mp-1185290
-6.934305
-6.46086
3.519808
other
Li3W1
4
139
64.04
mp-24291
2.845009
-0.377638
-1.748289
other
Th1H2
3
139
40.83
mp-976322
-7.125685
-5.919691
3.157007
other
Li3Pt1
4
139
56.18
mp-985605
-4.050437
-6.846081
1.507033
other
Cs3Ni1
4
139
250.88
mp-1185856
-9.349343
-4.625971
3.781983
other
Mg1Cu3
4
139
51.53
mp-31178
-7.024989
-4.608536
6.435177
other
Dy1Al3
4
139
80.52
mp-8371
-2.182344
0.41168
2.495381
other
Lu1C2
3
139
38.52
mp-1008860
-3.98027
-0.114602
-3.650495
other
Nb1S2
3
139
62.9
mp-1008682
-4.032083
-0.375493
-4.481855
other
Ti1S2
3
139
47.49
mp-1973
-6.954103
-3.43803
4.68119
other
Nb1Ga3
4
139
62.88
mp-1018123
-8.655708
-5.823417
2.654253
other
Ti1Au2
3
139
50.68
mp-1184694
-6.304625
-5.510582
1.014466
other
Hf1Bi3
4
139
112.92
mp-19275
8.666223
12.896511
-0.903824
other
Co4O4
8
139
79.7
mp-1184186
-7.754982
-5.911762
5.908446
other
Er3Ge1
4
139
101.65
mp-1187215
-5.165019
-3.64258
1.736418
other
Ta1As3
4
139
71.22
mp-1187275
-7.170766
-6.387218
5.94862
other
Tb3Bi1
4
139
119.19
mp-12049
-6.178994
-5.232639
2.707843
original
Nd4Sb2
6
139
185.99
mp-976762
-8.229583
-6.237764
2.178764
other
Ni1Ag3
4
139
64.57
mp-684709
-3.268344
1.698261
2.912535
other
K6B34
40
139
454.61
mp-979028
-7.479842
-6.938232
6.924765
other
Sm2Mg1
3
139
91.73
mp-1183352
-4.755742
-7.242807
3.66482
other
Ba3Nd1
4
139
211.5
mp-971934
-8.760283
-5.983551
3.040145
other
Zn3In1
4
139
72.91
mp-1183423
-5.473472
-1.380065
4.644073
other
Be3Co1
4
139
33.41
mp-2123
-5.71837
-2.799288
3.681904
other
Nb3Au2
5
139
89.38
mp-984705
-7.662678
-1.603789
4.573102
other
Er1Ru3
4
139
65.56
mp-1187045
-6.857279
-5.923907
2.132103
other
Sn3Mo1
4
139
89.63
mp-1185258
-5.661784
-6.859652
3.643419
other
Li3Pu1
4
139
94.97
mp-1094676
-6.90691
-9.119873
2.491005
other
Mg3Bi1
4
139
96.55
mp-972326
-7.784551
-2.276334
2.868082
other
Tc1Pt3
4
139
59.67
mp-1078858
-5.082098
-3.572139
3.654484
other
U6Si2
8
139
152.44
mp-1186087
-5.042245
-7.509085
3.038907
other
Na3Tc1
4
139
105.82
mp-975912
-5.7896
-0.638075
3.436891
other
Mo3H1
4
139
55.46
mp-1038916
-5.719986
-5.090466
5.354119
other
Mg1Al3
4
139
68.96
mp-971906
-6.406597
-5.568422
1.162213
other
Tm1Bi3
4
139
120.12
mp-1063311
-8.026299
-5.571388
3.087023
other
Eu1Pd2
3
139
72.51
mp-1187450
-6.121783
-6.702432
2.240144
other
Te1Pb3
4
139
129.69
mp-1183340
-4.751096
-7.272198
3.70708
other
Ba3Ho1
4
139
206.48
mp-974966
-3.75665
-7.11291
2.098257
other
Rb3Lu1
4
139
264.86
mp-1186130
-8.143381
-6.747766
2.806669
other
Np1Ag3
4
139
87.14
mp-979262
-5.982277
-6.757314
1.687821
other
Tl3F1
4
139
108.52
mp-976421
-7.403143
-6.823785
6.952889
other
Nd3Mg1
4
139
127.23
mp-975906
-5.762173
-4.999043
5.411336
other
Li1Al3
4
139
63.87
mp-1185082
-5.315426
-7.4446
3.938087
other
K1Yb3
4
139
188.65
mp-30581
-5.976482
-3.714522
4.145355
other
Hf2Cu1
3
139
55.26
mp-982381
-9.170348
-5.292786
3.896256
other
Na1Cu3
4
139
56.4
mp-1186815
-6.225351
-4.583486
3.324443
other
Pu3I1
4
139
96.2
mp-1396980
8.289213
1.486233
-0.320473
other
Bi2F8
10
139
158.98
mp-1018121
-8.236936
-4.238412
2.510817
other
Ti1Pd2
3
139
47.06
mp-981749
-7.971918
-6.277415
2.106222
other
Tc1Ag3
4
139
70.33
mp-1184019
-5.199128
-7.366606
3.771148
other
Cs1Yb3
4
139
206.52
mp-1187300
-6.966739
-6.780899
7.139752
other
Tb3Pm1
4
139
130.65
mp-1183641
-7.514492
-6.093237
2.496301
other
Cd3Pt1
4
139
74.4
mp-1184327
-5.572896
-7.389379
4.102389
other
Eu3V1
4
139
133.6
mp-1185066
-7.160494
-6.510983
6.199885
other
La3Hg1
4
139
125.19
mp-1186790
-6.992002
-7.063534
7.028039
other
Pr3Eu1
4
139
167.26
mp-1183278
-6.165353
-6.880688
2.475529
other
Al1Pb3
4
139
116.78
mp-1187169
-5.027042
-7.34701
3.714275
other
Sr1Ca3
4
139
186.1
mp-25229
7.02632
8.457779
-2.667991
other
Cu4O4
8
139
141.58
mp-1475
-5.221745
-1.281468
4.660195
other
Be12Mo1
13
139
109.42
mp-979014
-6.210391
-8.100744
5.404438
other
Sr1Ac3
4
139
187.04
mp-865357
-9.189422
-4.994354
2.901469
other
Zn3Pd1
4
139
55.67
mp-973498
-7.941622
-6.244245
2.425563
other
In3Au1
4
139
97.37
mp-1018166
-6.039833
-1.255765
4.106091
other
Al1Tc2
3
139
41.78
mp-869
-6.202847
-2.744277
5.377346
other
Ta1Al3
4
139
62.5