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-2778
-8.653921
-6.758675
4.66043
other
Ho1Ag1
2
221
46.32
mp-862960
-7.167446
-5.751342
3.591907
other
Pm1Sn3
4
221
106.76
mp-1094769
-7.291086
-6.811996
6.835157
other
Y3Mg1
4
221
120.99
mp-978094
-7.17379
-6.888885
7.269538
other
Nd1Ho3
4
221
128.49
mp-975530
-4.023882
-6.851724
2.219236
other
Rb1Al1
2
221
80.38
mp-21431
-7.932261
-6.096849
4.969243
other
Ho1In3
4
221
97.48
mp-1187395
-6.090654
-0.996835
4.055282
other
Tc3Mo1
4
221
59.97
mp-1002220
-6.680113
-5.396923
3.049221
other
Tm1Sb1
2
221
53.01
mp-1038814
-7.137526
-7.819344
3.063329
other
Mg1Cd1
2
221
41.89
mp-823
-6.892156
-1.504296
3.961678
other
Ti1Co1
2
221
26.63
mp-1183767
-6.239974
-6.326552
6.16776
other
Ce3Pm1
4
221
112.95
mp-10015
-6.537911
-1.694528
4.738323
other
Si1Os1
2
221
25.35
mp-20139
-7.040805
-0.956361
3.655156
other
Mn3Ge1
4
221
48.69
mp-1186100
-7.841866
-6.925394
2.275006
other
Na1Ag3
4
221
76.45
mp-1187024
-6.773759
-6.133393
1.585152
other
Sn3Bi1
4
221
117.13
mp-1038837
-7.74626
-9.24403
6.374185
other
Ce1Mg3
4
221
109.18
mp-1185406
-7.208963
-6.947648
7.288561
other
Li1Pr3
4
221
130.29
mp-1186522
-6.881011
-7.233154
7.165878
other
Pm3Gd1
4
221
136.27
mp-2577
-7.326594
-0.933498
4.069364
other
Mn3Rh1
4
221
46.87
mp-1009748
-2.662969
0.454881
2.576796
other
Sc1C1
2
221
23.86
mp-1184483
-5.689288
-6.600901
2.970109
other
In3B1
4
221
87.75
mp-972987
-7.301243
-1.715592
3.658695
other
Mn3Tl1
4
221
65.08
mp-639478
15.636322
5.643477
0.387481
other
Si24O48
72
221
1,684.17
mp-1481
-5.755824
-3.594133
-1.978521
other
Sn1Te1
2
221
59.53
mp-973191
-6.305529
-7.336644
2.1362
other
Li1Tl3
4
221
103.68
mp-934
-6.424989
-7.397689
2.853468
other
Li1Tl1
2
221
40.7
mp-979419
-7.099219
-6.861713
7.245835
other
Dy3Y1
4
221
128.03
mp-1186341
-5.692533
-4.541378
3.026873
other
Ni1Ge3
4
221
65.35
mp-1008489
1.768069
2.841579
0.377135
other
Cd1N1
2
221
26.65
mp-556853
-5.175896
-0.573177
-5.103147
other
Mn1S1
2
221
29.76
mp-20539
-7.783269
-5.983747
4.781787
other
Sc1In3
4
221
90.86
mp-581934
-6.018414
-4.521776
3.157803
other
Pu3Ge1
4
221
96.56
mp-1001788
-3.430018
1.58004
2.945095
other
Zr1B6
7
221
66.86
mp-21172
-6.476097
-5.608022
2.933534
other
Pu1Pb3
4
221
111.43
mp-1185790
-7.828325
-9.283681
6.367355
other
Mg3Sc1
4
221
91.93
mp-22746
-6.24598
-0.612914
3.428265
other
Co1Si1
2
221
21.52
mp-2283
-6.917824
-3.232939
4.228947
other
Zr1Co1
2
221
33.01
mp-2547
-8.128861
-5.430907
3.235194
other
Yb1Pd1
2
221
41.17
mp-2475
-8.247055
-6.906608
4.896504
other
Sm1Ag1
2
221
50.07
mp-861939
-6.633169
-7.938948
5.21377
other
Ac3Sn1
4
221
150.33
mp-971958
-7.158321
-6.3205
6.285232
other
Tm3P1
4
221
91.1
mp-1009459
-3.302932
-0.304024
2.797156
other
Nb1C1
2
221
22.1
mp-1186839
-3.767117
-7.124589
2.084042
other
Rb3Er1
4
221
266.22
mp-190
10.48035
11.005727
-2.135001
other
Re4O12
16
221
213.5
mp-571484
-5.642098
-7.486037
3.667861
other
Ca3Hg1
4
221
132.67
mp-1185051
-6.298933
-6.476069
5.81747
other
K1Ce3
4
221
133.36
mp-1186117
-7.956876
-2.261714
2.738213
other
Ni1Pt3
4
221
57.29
mp-981209
-5.88934
-3.133744
3.925393
other
Ti3Ni1
4
221
60.94
mp-2431
-7.236708
-7.409565
4.525719
other
Er1Tl3
4
221
103.91
mp-20469
-7.444439
-6.258398
3.999723
other
Yb1In3
4
221
102.98
mp-1064843
-6.436995
-7.358348
2.97527
other
Eu1Tl3
4
221
115.21
mp-1185553
-4.135631
-6.909165
1.338993
other
Cs3Hg1
4
221
312.15
mp-20298
-8.007942
-6.619415
5.831227
other
Sm1In1
2
221
55.7
mp-975256
-8.010667
-6.705793
6.64692
other
Ho3Hg1
4
221
109.69
mp-1186670
-5.127823
-4.198857
0.509687
other
Pu1As3
4
221
80.12
mp-567454
-7.819763
-4.947706
5.62343
other
Nd1Ga3
4
221
82.95
mp-305
-6.684596
-0.61533
4.450808
other
Ti1Fe1
2
221
25.38
mp-2525
-8.231219
-6.855438
4.81956
original
Pr1Ag1
2
221
53.29
mp-985443
-7.875149
-7.106677
1.922747
other
Ag3Hg1
4
221
73.67
mp-1183778
-7.63691
-1.628956
4.518611
other
Dy1Ru3
4
221
66.3
mp-972422
-5.327552
-3.64657
3.679475
other
U3Ge1
4
221
78.85
mp-1185535
6.99967
8.643998
-1.619631
other
Cs2O3
5
221
100.03
mp-2600
-5.667939
-4.231025
-1.228088
other
Ba1Te1
2
221
77.44
mp-571075
-5.541916
-4.795952
3.956866
other
Np3Sn1
4
221
96.87
mp-300
-8.144405
-3.34686
2.519385
other
Yb1Pt3
4
221
67.39
mp-1068212
5.335039
11.569843
-2.062438
other
Fe2O3
5
221
54.38
mp-998903
0.687125
1.188123
2.855344
other
Ti1N1
2
221
18.39
mp-1184570
-5.88673
-3.888245
4.051106
other
Hf3Ni1
4
221
76.48
mp-1187909
-5.771573
-6.747769
4.118904
other
Yb3P1
4
221
100.44
mp-1094082
8.510565
11.647832
-0.636445
other
Ni4O1
5
221
57.63
mp-11571
-7.142038
-5.666545
3.490931
other
Y1Sn3
4
221
103.84
mp-999469
6.34138
8.760636
-2.332376
other
Zn1N1
2
221
19.15
mp-11460
-6.124071
-1.872235
4.287502
other
Hf1Tc1
2
221
34.24
mp-1183129
-5.788594
-4.008336
5.681619
other
Al3As1
4
221
70.23
mp-21177
-7.943545
-6.113841
4.960897
other
Tm1In3
4
221
96.41
mp-974799
-3.916903
-7.122343
1.821471
other
Rb3Sr1
4
221
318.42
mp-242
-3.45846
1.771834
2.97673
original
Sr1B6
7
221
73.57
mp-976784
-8.676516
-5.513565
2.093015
other
Ni1Au3
4
221
65.36
mp-985300
-7.133129
-6.940231
6.733117
other
Ac1Er3
4
221
135.83
mp-1649
-7.758868
-0.298262
3.438934
other
Fe3Pt1
4
221
52.77
mp-20941
-7.623321
-5.483595
4.765161
other
U1In3
4
221
100.23
mp-770
-8.180912
-6.901449
5.548054
original
Dy1Cd1
2
221
51.6
mp-10907
-6.377598
-4.22851
4.611543
other
Pu1Al3
4
221
76.98
mp-20582
-7.623773
-6.408121
5.411291
other
La1In1
2
221
61.82
mp-1187168
-5.38556
-7.40001
3.871489
other
Sr1Eu3
4
221
189.53
mp-985297
-8.111333
-6.03506
2.107117
other
Ag3Rh1
4
221
67.72
mp-10647
-4.603875
-2.951561
-4.083856
other
Tl1Se1
2
221
52.85
mp-515
-7.622583
-7.337977
5.590702
other
Tm1Tl1
2
221
51.32
mp-559
-8.529608
-4.286979
2.556594
other
Y1Pd3
4
221
68.92
mp-1209103
1.6559
2.349345
0.41633
other
Rb1N1
2
221
47.55
mp-1187866
-7.571221
-1.614716
4.483029
other
Y1Ru3
4
221
66.63
mp-11566
-8.661036
-5.84968
4.763414
other
Sc1Zn1
2
221
37.06
mp-567589
-6.949323
-4.444973
6.501164
other
Dy1Al3
4
221
75.61
mp-1186774
-5.465426
-7.412545
4.082859
other
Sr1Yb3
4
221
174.39
mp-1184168
-6.406248
-5.496358
1.169051
other
Er1Bi3
4
221
120.28
mp-975606
6.466784
8.481164
-2.245643
other
In1N3
4
221
43.63
mp-1183131
-5.722016
-4.885548
5.291402
other
Al3Sn1
4
221
77.92
mp-862863
-5.766326
-5.750747
5.149337
other
Pa3Te1
4
221
95.46
mp-1002117
0.273512
2.119489
2.084606
other
Tc1N1
2
221
19.27
mp-1187953
-6.154091
-6.96833
3.923117
other
Yb3Pb1
4
221
124.74