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-30409
-7.605479
-2.475029
3.204664
other
Mn2Au1
3
139
46.5
mp-1187844
-5.577767
-3.836835
3.661762
other
Zr3Pb1
4
139
92.65
mp-976025
-6.343584
-6.879309
3.527213
other
Li3Ga1
4
139
62.75
mp-974751
-4.083106
-6.886781
1.628996
other
Rb3Zn1
4
139
249.1
mp-1078721
-8.062665
-4.196122
1.93684
other
In2Pd6
8
139
128.49
mp-979953
-5.499368
-7.033993
4.277789
other
Yb3Ta1
4
139
117.56
mp-1207242
-6.627486
-6.641953
3.640066
other
Pr1Pb2
3
139
99.04
mp-976106
-5.764945
-4.227504
3.925329
other
Hf3Tl1
4
139
87.33
mp-30776
-7.519499
-10.190332
6.331341
other
Pr1Mg12
13
139
309.69
mp-12693
-8.327637
-8.269533
4.919641
other
Mg2Rh1
3
139
50.85
mp-1183495
-6.05548
-6.903614
2.419633
other
Be1Pb3
4
139
109.97
mp-976053
-5.48853
-3.461096
-1.62478
other
Ge3Te1
4
139
91.31
mp-30339
-8.536601
-7.099605
3.655332
other
Er1Ag2
3
139
61.74
mp-685151
12.670959
9.732626
1.97375
other
Ti6O6
12
139
139.52
mp-985557
-6.25097
-6.229217
6.183826
other
Ce3Dy1
4
139
115.64
mp-973250
-6.647461
-6.790402
6.507255
other
K1La3
4
139
162.52
mp-1018102
-8.28196
-4.585844
2.80679
other
Zr1Pd2
3
139
51.63
mp-1062510
-8.564454
-5.143849
3.380852
other
Nd1Pd2
3
139
69.75
mp-1183714
-7.066909
-1.341701
2.423688
other
Co3I1
4
139
54.18
mp-1008284
-6.797884
-0.626615
3.785426
other
Cr3Ni1
4
139
46.1
mp-1185848
-8.579781
-5.833257
1.973639
other
Mg1Au3
4
139
69.32
mp-978798
-6.983601
-6.603331
6.674042
other
Sm3I1
4
139
128.34
mp-976971
-8.399917
-4.667741
2.31203
other
Na1Pd3
4
139
62.89
mp-1187819
-6.375386
-5.513651
1.156435
other
Y1Bi3
4
139
121.22
mp-1186463
-3.185767
-0.697127
-4.500618
other
Pd1S3
4
139
90.53
mp-865168
-5.288749
-1.284338
4.563656
other
Be3Ni1
4
139
33.55
mp-22508
-7.350678
-0.962241
4.474298
other
Y1Mn12
13
139
176.61
mp-1187678
-4.917033
-4.922704
4.383608
other
Th1Np3
4
139
94.44
mp-974330
-0.034205
1.994447
-4.298439
other
S1Br3
4
139
122.44
mp-972607
-7.1596
-6.89026
7.283055
other
Sm1Ho3
4
139
126.94
mp-974386
-8.245198
-1.879434
3.610532
other
Rh3F1
4
139
54.29
mp-1186052
-5.219052
-7.229785
3.120821
other
Na3Mn1
4
139
116.2
mp-22859
-0.826024
2.115388
-3.779027
other
Hg2I2
4
139
151.32
mp-1094771
-7.443812
-7.029335
2.421493
other
Mg1Cd3
4
139
85.1
mp-1183203
-5.377209
-5.295505
3.213632
other
Al1Ge3
4
139
74.93
mp-1183082
-6.015214
-7.734349
5.668688
other
Ac3Zr1
4
139
151.83
mp-22678
-5.493989
-4.622992
1.271248
other
Ce4Sb2
6
139
185.86
mp-1185160
-6.747992
-6.613074
6.722137
other
La3Tm1
4
139
141.37
mp-8094
-5.135449
-7.237541
3.045027
other
Ba2Hg1
3
139
137.31
mp-1187893
-5.0504
-5.018371
4.423151
other
Y1Np3
4
139
97.34
mp-976281
-6.614826
-6.674711
3.213974
other
Li3Pd1
4
139
59.45
mp-1078602
-7.554728
-5.565692
4.537384
other
Zr2In6
8
139
178.8
mp-1184857
-7.794443
-5.504168
3.020472
other
In3Pt1
4
139
86.84
mp-972324
-5.933724
-1.033084
4.009451
other
Tc3As1
4
139
58.48
mp-1186382
-6.025323
-5.602966
5.506232
other
Pa3Br1
4
139
92.27
mp-1217167
1.285032
1.779995
2.453053
other
Ti3N4
7
139
72.79
mp-1183650
-7.463968
-7.497677
1.709426
other
Cd1Hg3
4
139
100.12
mp-1186031
-5.361883
-7.306864
2.963099
other
Na3Cd1
4
139
116.81
mp-1207162
-4.006196
-6.991193
1.882902
other
Rb4C1
5
139
280
mp-971767
-7.517323
-7.429221
1.717824
other
Zn1Hg3
4
139
97.24
mp-1186728
-7.050908
-6.840599
7.250247
other
Pr3Sc1
4
139
132.34
mp-974795
-3.809729
-7.14562
2.314082
other
Rb3Ti1
4
139
250.01
mp-865194
8.76175
1.587287
1.837608
other
Tm1F3
4
139
39.74
mp-862716
-7.760243
-6.730958
2.168599
other
Li1Ag3
4
139
66.23
mp-193
-6.019938
-3.752505
3.992052
other
Zr2Cu1
3
139
58.01
mp-1183590
8.351408
1.403049
-0.499902
other
Ca1F3
4
139
46.51
mp-1178842
8.251361
7.903594
-3.839766
other
U1O4
5
139
88.46
mp-1226890
2.853935
-0.522418
-1.746802
other
Ce4H11
15
139
166.22
mp-1186719
-7.080052
-6.937475
7.454752
other
Pr3Ho1
4
139
140
mp-1188038
-5.835279
-7.332823
4.194247
other
Yb3Cr1
4
139
125.92
mp-974882
-4.007882
-7.275551
1.924388
other
Rb3Mo1
4
139
236.36
mp-982008
-7.069218
-7.19454
1.708031
other
Hg3F1
4
139
84.74
mp-971966
-7.796399
-5.543887
2.519263
other
Zn3Sb1
4
139
73.37
mp-1060281
3.307549
2.505064
-0.065465
other
B1N1
2
139
29.94
mp-1184183
-5.848847
-5.198766
3.068307
other
Cu1Ge3
4
139
69.57
mp-980196
-7.295204
-6.960079
7.023332
other
Yb1Tm3
4
139
125.89
mp-982065
-7.1733
-6.883268
7.307529
other
Pr1Ho3
4
139
129.49
mp-974846
-4.232842
-6.885622
1.808908
other
Rb3Os1
4
139
170.45
mp-982448
-6.7246
-7.181689
7.134433
other
Pm3Y1
4
139
136.59
mp-975642
-7.395076
-6.920238
7.228104
other
Pr3Cu1
4
139
113.98
mp-1104792
-5.257648
-1.203508
4.645735
other
Mn1Be12
13
139
107.43
mp-1205360
-5.807728
-5.506798
3.670849
other
Ca4Ge12
16
139
342.05
mp-973792
-6.034263
-5.704237
5.375044
other
Pa3Tl1
4
139
101.29
mp-1184198
-5.43609
-7.335149
4.272647
other
Eu3Nb1
4
139
135.26
mp-976263
-5.778329
-6.528069
4.069934
other
Li3Nb1
4
139
70.47
mp-1187323
-6.67533
-6.415767
6.759676
other
Tb3Zr1
4
139
116.93
mp-1183912
-6.16223
-6.444821
6.090146
other
Ce3Eu1
4
139
114.13
mp-22885
7.944713
2.109396
-0.90854
other
Xe1F2
3
139
63.95
mp-978280
-7.283417
-10.786177
5.163482
other
Mg3Ga1
4
139
80.49
mp-2768
-4.583158
-5.98278
1.565899
other
Ba4As2
6
139
235.49
mp-1184498
-7.252503
-6.890293
7.110028
other
Gd3Ho1
4
139
130.42
mp-1100
-1.376578
0.345705
1.249551
other
Yb1C2
3
139
46.79
mp-1183841
-7.222731
-6.834044
7.194904
original
Dy1Ho3
4
139
124.58
mp-974856
-4.186739
-7.065806
2.032052
other
Rb3Re1
4
139
203.49
mp-1232239
-2.903386
-3.227608
-4.317045
other
Pm2S2
4
139
165.43
mp-1184006
-7.916605
-0.695382
3.6515
other
Ga1Co3
4
139
44.67
mp-1187881
-7.099266
-6.561285
6.106157
other
Y3Pb1
4
139
119.38
mp-865355
-8.923919
-4.513849
2.838096
other
Zn3Pt1
4
139
55.86
mp-1185223
-6.925005
-6.643466
6.943596
other
La1Tb3
4
139
134.12
mp-1183782
-6.276096
-6.252517
6.245661
other
Ce3Sm1
4
139
114.66
mp-1735
-0.998365
0.56667
0.813682
other
Ba1C2
3
139
70.59
mp-978283
-7.154031
-10.072458
4.81477
other
Mg3In1
4
139
89.26
mp-1185200
-6.822111
-6.842416
3.036206
other
Li3Au1
4
139
62.41
mp-1186735
-7.010634
-6.940129
7.414999
other
Pr3Y1
4
139
142.15
mp-2706
8.692214
1.75049
-0.244271
other
Sn1F4
5
139
64.61
mp-1188048
-5.530939
-3.69463
3.484536
other
Zr3N1
4
139
73.16
mp-1185047
-6.086125
-11.152907
5.833644
other
K1Mg3
4
139
119.44
mp-1184338
-5.534619
-7.458126
4.282461
other
Eu3Ti1
4
139
137.72
mp-1225717
1.294297
2.103971
1.063074
other
Cu3N1
4
139
44.52
mp-1206936
-6.838763
-6.722301
3.731731
other
La1Pb2
3
139
96.3