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-20272
-8.078717
-3.264505
2.380937
other
Gd1Pt3
4
221
70.14
mp-1009471
0.685877
1.383943
3.052746
other
Nb1N1
2
221
21.01
mp-11245
-9.157391
-6.528601
3.856314
other
Ho1Au1
2
221
44.97
mp-2515
-7.693263
-2.232341
2.548411
other
Cr1Pt3
4
221
59.13
mp-1184275
-5.580032
-7.317389
4.057331
other
Eu3Mg1
4
221
148.8
mp-11476
-9.069426
-5.413019
6.087858
other
Ho1Ir1
2
221
38.96
mp-2630414
8.190962
9.079508
-1.413898
other
Ta4O12
16
221
248.46
mp-984700
-6.755374
-6.771128
6.931483
other
Ce1Y3
4
221
129.46
mp-1186077
-5.069657
-7.218217
3.547074
other
Na3Ce1
4
221
146.35
mp-863750
-8.484713
-5.872168
1.97613
other
Ag1Au3
4
221
70.02
mp-1038934
-5.839062
-7.806559
5.499611
other
Mg1Al1
2
221
38.61
mp-1007690
-8.084021
-3.182141
2.362919
other
Hg1Pt3
4
221
67.55
mp-1185002
-6.975524
-6.466762
6.523971
other
La3Br1
4
221
122.61
mp-1187471
-6.428641
-5.261527
1.164255
other
Th1Bi3
4
221
121.79
mp-977310
-8.554545
-5.544346
2.200609
other
Os1Au3
4
221
68.44
mp-1188007
-4.908368
-3.498603
3.485431
other
Zr3N1
4
221
70.11
mp-1911
-7.262361
-5.589345
3.609996
other
Ce1Sn3
4
221
105.26
mp-1471
-5.772742
-3.608697
4.09063
other
Zr3Al1
4
221
83.84
mp-614455
-8.738713
-6.259842
5.320715
other
Gd1Cu1
2
221
42.33
mp-20023
-7.956393
-6.502543
5.649119
original
Pr1In1
2
221
59.26
mp-979984
-3.658147
-4.029024
0.848215
other
Yb1P3
4
221
68.23
mp-1067833
-1.12647
2.416846
-3.229443
other
Sn1I3
4
221
217.64
mp-1183698
-8.068137
-0.59874
3.60458
other
Co3Ir1
4
221
45.98
mp-567116
-8.208592
-2.998303
4.353383
other
Yb1Ru1
2
221
36.33
mp-13161
10.125417
9.105733
0.106776
other
Zn1O1
2
221
19.51
mp-2092
-8.428415
-4.453446
2.542666
other
Ce1Pd3
4
221
70.89
mp-11452
-6.9544
-2.371376
4.496356
other
Hf1Os1
2
221
34.12
mp-1186014
-6.090655
-0.902197
3.425409
other
Mo3Pd1
4
221
62.54
mp-2314
-6.438421
-6.976612
2.805701
other
Li1Pb1
2
221
43.85
mp-1201611
-7.759374
-6.857991
2.674016
other
Np3Cd33
36
221
843.64
mp-30496
-6.167957
-7.186759
3.500415
other
Sr1Cd1
2
221
65.73
mp-21156
-6.579734
-6.584459
3.275072
other
Tb1Pb3
4
221
114.42
mp-975797
-7.117729
-6.923826
7.407085
other
Pr1Sm3
4
221
137.8
mp-1187104
-5.106356
-7.403341
3.538189
other
Sr3Cu1
4
221
161.07
mp-1002230
-6.409202
-4.508667
2.147646
other
Pu1Bi1
2
221
58.55
mp-1186552
-7.068273
-7.030163
7.342269
other
Pm1Dy3
4
221
129.07
mp-1009596
0.92327
2.623595
1.309856
other
Pd1N1
2
221
21.45
mp-983594
-5.872347
-4.307011
5.842844
other
Al3Ga1
4
221
64.13
mp-31337
-8.079535
-4.188266
1.963473
other
In1Pd3
4
221
64.24
mp-1183137
-8.151308
-6.419016
1.930726
other
Ag3Au1
4
221
69.48
mp-1187466
-5.443864
-3.073277
3.856048
other
Ti3Cd1
4
221
71.53
mp-1186068
-4.935767
-7.304162
3.451366
other
Na3Sc1
4
221
127.71
mp-11471
-8.15188
-6.889976
4.292739
other
Sc1Hg1
2
221
43.08
mp-1186965
-4.069594
-7.007553
1.823818
other
Rb3Ce1
4
221
417.73
mp-1013552
-3.72367
-5.200552
0.985508
other
Sr3P2
5
221
182.28
mp-1186046
-4.922447
-7.397929
3.194789
other
Na3Mg1
4
221
129.42
mp-1678
-7.086335
-3.669648
2.970952
other
Pu1Rh3
4
221
65.03
mp-1184703
-5.64833
-4.045096
3.764262
other
Hf3Pb1
4
221
88.19
mp-7753
-8.407128
-4.299069
2.038305
other
Mg1Pd3
4
221
60.98
mp-2434
-6.017509
-7.41717
3.223661
other
Sr1Tl1
2
221
67.06
mp-1395
-7.120063
-1.067697
3.946472
other
V1Ru1
2
221
27.08
mp-570860
-7.126285
-5.635886
3.488528
other
Dy1Sn3
4
221
103.13
mp-1094855
-6.972956
-6.521152
6.307206
other
La3Mg1
4
221
135.73
mp-1021489
7.885234
9.064139
-3.127346
other
Ir1O3
4
221
54.48
mp-976949
-8.035049
-6.47024
6.149939
other
Lu3In1
4
221
104.97
mp-971694
2.374344
2.412456
1.657282
other
Ge12N8
20
221
356.04
mp-417
-7.825675
-1.666718
3.534134
original
Mn1Rh1
2
221
27.75
mp-11229
-7.45798
-5.829763
6.595405
other
Y1Al1
2
221
46.61
mp-11467
-8.162962
-7.545022
4.64903
other
Nd1Hg1
2
221
55.6
mp-1548
-7.81218
-8.427204
6.865899
other
Pr1Mg1
2
221
60.17
mp-1017529
-7.570399
-0.544884
3.698499
other
V1Co3
4
221
42.05
mp-569593
-7.735859
-8.390189
6.599458
other
Pm1Mg1
2
221
57.93
mp-1185899
-5.67771
-2.862435
3.567912
other
Mg1Nb3
4
221
74.19
mp-8455
8.34549
0.832396
1.186899
other
Cs1F1
2
221
50.74
mp-2751
-6.979866
-5.985878
2.929279
other
Yb1Sn3
4
221
105.89
mp-1001843
-4.086521
-3.754853
0.960908
other
Ho1P1
2
221
41.18
mp-1538331
-6.983864
-6.35318
4.334607
other
Yb1Ga1
2
221
47.24
mp-976589
-6.676513
-6.786376
2.741343
other
Na1In3
4
221
100.41
mp-1187495
-6.030895
-6.819893
1.829788
other
Tl3Ge1
4
221
111.88
mp-976847
-6.868936
-1.87207
1.514742
other
Ni3Sb1
4
221
50.3
mp-570164
-6.634444
-7.334981
3.254967
other
Yb1Tl3
4
221
114.76
mp-2413
-6.447911
-5.547674
5.606631
other
Ce3Al1
4
221
106.1
mp-976599
-7.400873
-7.647032
1.761967
other
Li1Hg3
4
221
86.78
mp-1187913
-8.46131
-4.23183
2.083388
other
Zn1Pd3
4
221
58.27
mp-1183632
-5.162737
-5.709958
1.327772
other
Cd3P1
4
221
84.82
mp-1185177
-3.87329
-7.180297
2.402804
other
K3Th1
4
221
217.97
mp-16731
-3.945243
-3.858708
0.999395
other
Y1P1
2
221
42.11
mp-381
-6.695529
-1.744588
4.796144
other
Si1Ru1
2
221
24.8
mp-1183621
-7.912229
-6.180501
2.419711
other
Cd3Pd1
4
221
74.54
mp-1186385
-6.000958
-5.816367
5.386141
other
Pa3Hg1
4
221
99.17
mp-974834
-8.899665
-1.74637
2.574881
other
Eu1Ni3
4
221
58.77
mp-177
-5.619842
-3.860349
1.171167
other
U1Sb1
2
221
52.88
mp-1184558
-5.784422
-3.804779
3.739858
other
Hf3Sn1
4
221
85.9
mp-1187049
-6.192096
-5.979074
5.737816
other
Th3Pb1
4
221
123.84
mp-419
-3.374697
1.756167
2.957338
other
Yb1B6
7
221
70.36
mp-998896
-2.316676
0.231402
2.549502
other
Y1C1
2
221
30.09
mp-1183703
-5.738562
-0.553107
3.629029
other
Cr1Re3
4
221
57.67
mp-7425
-8.411702
-4.927258
4.730827
other
Tb1Pt1
2
221
43.42
mp-1094724
-7.124832
-10.980758
4.042716
other
Mg3Sb1
4
221
92.52
mp-978511
-5.836291
-5.731969
5.567995
other
Sm1Pa3
4
221
105.56
mp-30373
-4.715145
-6.579329
1.414327
other
Rb1Au1
2
221
69.15
mp-1186173
-6.944086
-7.250962
6.994904
other
Na1Pm3
4
221
136.3
mp-1185604
-6.24771
-6.288143
6.053831
other
La1Ce3
4
221
109.4
mp-11477
-7.133047
-5.63093
3.506247
other
Ho1Sn3
4
221
102.58
mp-11503
-7.615575
-1.625334
3.849459
other
Mn1Zn1
2
221
26.98
mp-1185240
-6.917031
-6.716886
6.80371
other
Li1Y3
4
221
119.07
mp-1187066
-5.762838
-5.438622
2.929999
other
Sn1Ge3
4
221
87.11
mp-11578
-9.281948
-4.969876
3.94111
other
V1Zn3
4
221
54.25
mp-1094874
-6.254334
-4.308033
3.240672
other
Zr1Sn1
2
221
45.89
mp-1184545
-8.288634
-2.832077
2.382042
other
H1Pt3
4
221
55.65