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-21427
-8.523287
-4.359123
2.468482
other
Gd1Pd3
4
221
69.92
mp-867164
-7.530662
-7.064603
6.499642
other
Pm3Sn1
4
221
118.17
mp-11495
-8.885358
-5.160604
6.242713
other
Lu1Ru1
2
221
36.13
mp-1073
-6.578501
-7.07726
3.778425
other
Ca1Cd1
2
221
55.27
mp-191
-8.878574
-5.554035
6.220641
other
Y1Rh1
2
221
39.93
mp-1971
-8.870238
-5.885061
5.196309
other
Ho1Cu1
2
221
39.95
mp-22320
-7.484956
-1.56935
4.282742
other
Ga1Ru1
2
221
27.04
mp-976061
-6.710954
-4.459581
5.224269
other
Pr1Ge3
4
221
86.64
mp-1184154
-7.838469
-6.572029
6.325242
other
Er3Hg1
4
221
108.49
mp-21343
-3.613791
1.83643
2.930836
other
Ce1B6
7
221
70.36
mp-12067
-6.70776
-1.211664
4.811522
other
Mn1Al1
2
221
25.62
mp-1183140
-5.952516
-4.915862
5.525298
other
Al3Cd1
4
221
74.18
mp-21483
-7.525012
-6.674559
6.379565
other
Nd3In1
4
221
124.46
mp-460
-8.201233
-6.857095
5.406109
other
Pr1Zn1
2
221
50.77
mp-1009009
9.72652
0.789914
1.174089
other
Li1F1
2
221
16.77
mp-6938
-8.328105
-2.866975
3.27824
other
Zn1Rh1
2
221
26.74
mp-975639
-7.101245
-6.900799
7.385295
other
Pr3Er1
4
221
139.28
mp-1013551
-3.667971
-5.1003
1.340957
other
Ba3P2
5
221
221.37
mp-1008285
-6.796587
-0.436477
3.904672
other
Cr3Fe1
4
221
45.6
mp-1186738
-7.064468
-6.987476
7.535955
other
Pr3Np1
4
221
136.03
mp-2442
-9.148803
-6.422722
3.707023
other
Er1Au1
2
221
44.31
mp-1187566
-8.426844
-6.381895
2.865847
other
Tl1Zn3
4
221
80.14
mp-1756
-3.655774
1.853653
2.972903
other
Th1B6
7
221
69.38
mp-1206765
-7.407197
-5.644762
3.958286
other
Sc1Sn1
2
221
47.26
mp-1184100
-7.178291
-6.783537
7.118172
other
Dy3Er1
4
221
125.27
mp-1017542
-7.426904
-1.683098
4.432731
other
Zr1Os3
4
221
63.84
mp-976856
-6.472665
-10.850407
5.661972
other
Na1Mg3
4
221
102.08
mp-635426
-9.053287
-6.401418
4.042044
other
Gd1Au1
2
221
47.26
mp-978502
-5.047721
-4.499973
0.36825
other
Sm1As3
4
221
85.95
mp-1187496
-5.863235
-7.124672
2.197659
other
Tl3Si1
4
221
109.47
mp-2615
-7.856084
-6.730009
5.133299
other
La1Zn1
2
221
53
mp-1186380
-5.985676
-5.627682
5.424578
other
Pa3Cd1
4
221
98.95
mp-1186796
-5.904358
-4.562933
3.631861
other
Pu3Ta1
4
221
74.06
mp-1002226
-5.589345
-3.977122
0.699551
other
Er1As1
2
221
44.64
mp-973668
-3.369042
-4.940683
6.552505
other
Lu1Si3
4
221
67.78
mp-1057750
-3.643051
-1.890295
-5.196388
other
Rb1S1
2
221
64.61
mp-1187968
-6.034116
-7.234066
4.301118
other
Yb3Cu1
4
221
115.16
mp-6958
-5.495662
-6.207077
0.73342
other
Tl1Sb1
2
221
59.35
mp-19868
-5.167455
-4.204511
0.617923
other
Th1As1
2
221
48.72
mp-12798
-8.403372
-1.537751
2.870071
other
Ni3Pt1
4
221
47.62
mp-20291
-6.574145
-6.606649
3.216407
other
Y1Pb3
4
221
114.97
mp-1635
-7.758499
-8.761352
6.850233
other
Tb1Mg1
2
221
54.82
mp-1418
-8.610612
-0.452006
2.890529
other
Fe1Ni3
4
221
43.26
mp-1009017
-6.60006
-5.370967
3.137606
other
Ho1Sb1
2
221
54.53
mp-1002210
-3.443769
-2.297341
-5.35923
other
Eu1S1
2
221
44.96
mp-1186028
-5.229341
-7.225283
3.11309
other
Na3Ga1
4
221
112.81
mp-975312
7.880251
1.59221
-0.709105
other
Rb1F3
4
221
71.61
mp-2540
-6.233888
-0.954196
3.881684
other
V1Tc1
2
221
27.25
mp-10694
8.499968
1.218638
1.766972
other
Sc1F3
4
221
65.91
mp-12586
-8.774899
-6.067976
5.333489
other
Sm1Cu1
2
221
43.67
mp-1184093
-6.193556
-6.169815
6.172662
other
Dy1Th3
4
221
128.66
mp-2756
-7.975119
-6.291013
4.148009
other
Ce1Ag1
2
221
52.03
mp-1021668
-6.114175
-5.841434
1.239813
other
In3Sb1
4
221
113.17
mp-1187291
-7.19545
-6.669281
7.004816
other
Tb3Lu1
4
221
125.61
mp-1886
-7.274027
-7.450322
4.591086
other
Tb1Tl3
4
221
105.3
mp-636279
-8.422714
-4.909276
2.592917
other
Eu1Pd3
4
221
72.31
mp-1183704
-8.000197
-1.530158
3.385674
other
Co1Rh3
4
221
53.43
mp-2303
-8.553304
-6.831913
5.445232
other
Dy1Zn1
2
221
44.55
mp-1183729
-5.200199
-4.190685
0.474594
other
Ce1As3
4
221
83.04
mp-976772
-8.217714
-6.231778
2.173738
other
Ni1Ag3
4
221
64.43
mp-11569
-7.31839
-7.513607
4.749135
other
Sm1Tl3
4
221
108.01
mp-580329
-6.158573
-4.625977
3.02337
other
Pu3Sn1
4
221
107.07
mp-376
-7.194194
-5.706088
3.612975
other
Pr1Sn3
4
221
109.37
mp-1013529
1.795192
1.690456
1.223479
other
Sr3N2
5
221
123.43
mp-1008280
-7.578394
-0.312117
3.640965
other
Cr1Co3
4
221
44.36
mp-973891
-6.811997
-6.297897
6.021765
other
La1V1
2
221
52.29
mp-1094967
-5.598508
-5.953296
0.444519
other
Mg1Sb1
2
221
48.84
mp-1185213
-3.864666
-6.725356
2.443306
other
K3U1
4
221
230.04
mp-10646
-2.957
-4.129735
-3.404767
other
Th1Se1
2
221
48.94
mp-20438
-5.410628
-3.296074
0.212238
other
Pu1Te1
2
221
55.06
mp-1008
-8.469923
-1.931417
2.24112
other
Ni1Hg1
2
221
31.33
mp-19762
-6.511423
-5.735275
3.221192
other
U1Pb3
4
221
113.32
mp-1187498
-6.150784
-7.114961
2.024851
other
Tl3Zn1
4
221
110.66
mp-22906
-0.404965
1.693491
-4.634421
other
Cs1Br1
2
221
80.94
mp-1185539
-7.047653
-6.845653
7.019989
other
Ce1Gd3
4
221
127.23
mp-1002106
-8.066359
-4.6
3.288234
other
Hf1Pd1
2
221
36.12
mp-437
-8.478353
-5.936659
2.293842
other
Mg1Au1
2
221
35.08
mp-1187089
7.030376
8.695742
-1.35127
other
Sr2O3
5
221
95.92
mp-974395
-8.029932
-2.35217
2.861467
other
Pt3Rh1
4
221
59.77
mp-1186169
-7.105108
-6.944335
7.240827
other
Na1Pr3
4
221
141.07
mp-1184682
-6.077475
-4.660717
2.992149
other
Ge3Pd1
4
221
71.06
mp-976830
-8.261732
-2.167797
2.103211
other
Ni3Pb1
4
221
55.24
mp-640089
-7.709864
-6.980544
3.080433
other
Ce3Cd33
36
221
821.34
mp-2509
-8.781198
-2.801749
3.760453
other
Th1Rh3
4
221
69.37
mp-1180619
6.210973
8.601752
-2.261858
other
Li1O1
2
221
16.35
mp-867816
-7.477245
-1.638461
4.425674
other
Ta1Ru3
4
221
58.3
mp-1187074
-5.942488
-5.73831
5.507209
other
Th3S1
4
221
106.63
mp-1186275
-7.17701
-6.872517
7.293232
other
Nd3Lu1
4
221
134.74
mp-982665
-4.207393
-7.102112
2.04616
other
K3In1
4
221
192.16
mp-1201591
-7.70649
-7.019536
3.030351
other
La3Cd33
36
221
825.33
mp-447
-9.17956
-6.394697
3.998201
original
Tm1Au1
2
221
43.75
mp-1184883
-6.710681
-6.148652
2.591844
other
In3Se1
4
221
110.85
mp-1158
-8.517734
-4.281996
2.426311
other
Lu1Pd3
4
221
66.11
mp-1183932
-6.606604
-6.615857
6.273351
other
Cs1La3
4
221
165.73
mp-982
-8.617144
-4.297717
2.467117
other
Tm1Pd3
4
221
66.87
mp-978797
-6.962648
-6.769422
7.24993
other
Sm3Hf1
4
221
120.8
mp-1183319
-4.733572
-7.28415
3.75351
other
Ba3Pm1
4
221
210.28
mp-1187154
-6.657226
-6.761348
3.410887
other
Sr1In3
4
221
113.35
mp-1094096
8.481934
11.951543
-0.845157
other
Ni4O3
7
221
72.2
mp-1929
-3.564077
1.785178
2.983442
other
Nd1B6
7
221
70.42