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-1193555
-7.808699
0.485907
5.645485
other
Sm6Fe23
29
225
445.29
mp-542830
-6.343163
-0.16773
3.535815
other
Mn23C6
29
225
289.09
mp-1187632
-5.825424
-6.97269
2.183697
other
Tl3B1
4
225
103.89
mp-23209
1.001324
1.522582
-5.15274
other
Sr1Cl2
3
225
85.73
mp-2532
-5.73155
-4.00964
-1.086277
other
Pr1Te1
2
225
65.97
mp-1009495
0.567823
2.187718
2.127399
other
Os1N1
2
225
20.82
mp-1087
-3.215551
-2.056992
-5.447077
other
Sr1S1
2
225
55.31
mp-1865
1.404122
1.319331
2.562347
other
U1N1
2
225
29.01
mp-1183682
-6.242401
-1.133873
2.786283
other
Cr3As1
4
225
48.14
mp-1002221
2.888341
-0.439979
-1.729626
other
Er1H1
2
225
28.91
mp-1183970
-9.044357
-4.675851
3.12571
other
Cu3W1
4
225
51.76
mp-974270
-5.029987
-7.196843
3.271646
other
Na3Al1
4
225
112.63
mp-973622
-3.93012
-7.313248
2.17678
other
K3Sr1
4
225
275.71
mp-1186160
-5.138046
-4.799716
4.355936
other
Np3Cu1
4
225
66.69
mp-973353
-7.849486
-3.219431
2.384496
other
Sb1Pt3
4
225
69.14
mp-979935
-5.206236
-7.443689
3.870608
other
Rb1Yb3
4
225
200.91
mp-1187152
-7.424891
-7.075801
3.210832
other
Sr1Cd3
4
225
102.85
mp-1008986
0.819519
2.24881
1.74537
other
Ir1N1
2
225
21.37
mp-976405
-7.103396
-6.822856
6.69978
other
Na1Er3
4
225
122.89
mp-1184715
-6.144059
-1.49699
4.232076
other
Gd1Tc3
4
225
67.72
mp-838
-9.040583
-4.849109
3.271526
other
Cu3Sn1
4
225
58.61
mp-2162
-7.802314
0.590832
5.506058
other
Er6Fe23
29
225
427.12
mp-978497
-4.031123
-4.75626
5.442398
other
Si3H1
4
225
48.81
mp-1192847
-9.258418
-6.337794
4.669675
other
Ho6Zn23
29
225
489.93
mp-1186356
-7.299395
-1.821003
4.091403
other
Os3Cl1
4
225
59.88
mp-1192883
-7.331016
-1.041592
4.961058
other
Nd6Mn23
29
225
449.73
mp-1185192
-5.631961
-6.906749
3.94328
other
Li3La1
4
225
103.22
mp-1184921
-6.553954
-6.667245
2.338869
other
In3Pb1
4
225
113.05
mp-1004525
-3.574324
1.840614
2.906355
other
Sm1B12
13
225
107.19
mp-1206987
11.654985
8.672119
1.890738
other
Th1O1
2
225
33.13
mp-1192910
-9.208577
-6.28897
4.600639
other
Lu6Zn23
29
225
475.65
mp-1623
-3.176502
-3.906128
-3.19119
other
Er1S1
2
225
40.19
mp-1186354
-7.4238
-1.757864
3.989169
other
Os3F1
4
225
54.28
mp-976023
-6.356836
-6.883639
3.520424
other
Li3Ga1
4
225
62.26
mp-23870
3.410175
-0.661068
-2.411045
other
Na1H1
2
225
27.18
mp-1185800
-8.103939
-11.029916
5.949521
other
Mg3V1
4
225
81.35
mp-1586
-6.172606
-4.955347
1.756521
other
Nd1Sb1
2
225
65.75
mp-23234
-6.957512
-5.884286
3.447036
other
Tm1Bi1
2
225
60.75
mp-1183316
-4.825624
-7.256407
3.874993
other
Ba3Mo1
4
225
170.09
mp-1059264
-4.142029
-6.492886
1.768508
other
K1Ge1
2
225
79.31
mp-1193644
-7.802649
0.641073
5.505211
other
Lu6Fe23
29
225
421.41
mp-1186191
-6.932264
-6.880403
7.001161
other
Na1Y3
4
225
129.07
mp-977360
8.420832
1.407727
1.888368
other
Ac1F3
4
225
53.66
mp-1002222
1.593842
2.605376
0.642872
other
Tl1N1
2
225
30.27
mp-1183399
-5.27293
-7.40703
4.086812
other
Ba1Yb3
4
225
178.33
mp-2807
-4.225041
-3.879934
0.970753
other
Sc1P1
2
225
37.79
mp-1056955
1.442348
2.246392
-0.171823
other
Ag1N1
2
225
24.59
mp-2388
-6.159674
-3.453874
-2.322756
other
Cd1Te1
2
225
57.67
mp-1094467
-7.637158
-9.537867
6.539526
other
Mg3Zr1
4
225
87.64
mp-1187747
8.866821
2.730878
2.016941
other
U1F3
4
225
49.28
mp-1193291
-9.238896
-6.31949
4.622565
other
Tb6Zn23
29
225
497.11
mp-999389
-7.114439
0.12971
4.125696
other
Nb1Fe3
4
225
52.72
mp-977239
-5.437994
-6.882959
4.148021
other
Li3Th1
4
225
91.35
mp-24154
2.742279
-0.486008
-1.679819
other
Nb1H2
3
225
23.85
mp-1183324
-4.828325
-7.506309
3.511929
other
Ba1Sr3
4
225
231.72
mp-982595
-4.963342
-7.387184
3.183398
other
Na3Re1
4
225
103.69
mp-930
-5.278394
-2.677203
2.423169
original
Zr1P1
2
225
37.05
mp-11540
8.558928
10.736623
-0.8874
other
Pt1O1
2
225
24.74
mp-22907
-7.000452
-5.878814
3.679532
other
Dy1Bi1
2
225
62.79
mp-256
2.301887
1.738315
1.911745
other
La1N1
2
225
37.23
mp-1187947
-5.886118
-7.160947
4.391987
other
Yb3Al1
4
225
119.71
mp-1185895
-5.720642
-1.087584
3.6235
other
Mg1Mo3
4
225
64.83
mp-1192795
-8.246537
-0.568379
4.29148
other
Hf6Co23
29
225
369.94
mp-973533
-8.364457
-6.49466
2.250669
other
Fe1Ag3
4
225
67.63
mp-1186383
-6.305315
-6.783825
2.393555
other
Os1Pb3
4
225
97.69
mp-1094520
-7.108517
-11.138442
4.174921
other
Mg3Sb1
4
225
97.32
mp-30641
-7.826367
0.504966
5.618631
other
Y6Fe23
29
225
436.77
mp-1186448
-5.702269
-6.581371
2.169472
other
Pb3O1
4
225
99.55
mp-567580
-2.880849
0.417676
2.61202
other
Pa1C1
2
225
32.92
mp-973614
-4.542769
-6.96661
1.921431
other
K3Sn1
4
225
175.17
mp-1187954
-6.834695
-6.40131
2.728826
other
Zn1In3
4
225
100.55
mp-2423
-3.562844
-3.514704
-2.498253
other
U1S1
2
225
44.18
mp-1185487
8.775276
1.649405
1.728205
other
Lu1F3
4
225
41.1
mp-2175
8.326186
1.56292
1.004269
other
Tl1F1
2
225
42.7
mp-866172
-7.930459
-9.347237
6.783755
other
Ho1Mg3
4
225
95.72
mp-1132
9.707783
8.797282
0.304307
other
Cd1O1
2
225
26.32
mp-1094258
-5.724353
-4.063446
4.140162
other
Hf3Mg1
4
225
86.98
mp-20587
-3.195587
-2.458966
-5.312002
original
Eu1S1
2
225
50.89
mp-22867
-0.334787
1.609868
-4.618359
other
Rb1Br1
2
225
82.55
mp-1453
-3.348887
-4.098855
-3.077737
other
Nd1Se1
2
225
53.3
mp-1794
11.727777
6.376897
-1.894363
other
Be1O1
2
225
12.15
mp-1030
-7.872753
-2.736046
2.59395
other
Sb1Pt7
8
225
127.52
mp-22899
-1.044375
2.447471
-2.779665
other
Li1I1
2
225
53.15
mp-971
8.94968
8.579487
0.238353
original
K4O2
6
225
129.6
mp-1185162
-5.883488
-7.309217
4.688689
other
La1Yb3
4
225
156.19
mp-1039010
-6.052454
-8.907927
5.698552
other
Mg1Al1
2
225
47.57
mp-1186214
-5.624555
-2.810227
3.503519
other
Nb3Cu1
4
225
67.93
mp-516
-6.476416
-5.207023
2.616143
other
Lu1Sb1
2
225
56.15
mp-1009720
0.664805
2.446431
1.706056
other
Rh1N1
2
225
20.63
mp-1187385
-5.866838
-1.026189
4.032875
original
Tc3Ge1
4
225
57.13
mp-1193316
-7.814784
0.49484
5.588297
other
Tb6Fe23
29
225
441
mp-2758
-3.820025
-2.729122
-4.554554
other
Sr1Se1
2
225
61.9
mp-1147673
7.31079
10.54513
-1.247648
other
Cu6O8
14
225
183.41
mp-1185480
-5.672687
-4.482806
3.528247
other
Li1Pu3
4
225
73.16
mp-1232235
-3.092577
-3.799418
-3.25608
other
Pm1S1
2
225
46.22
mp-24728
2.997769
-0.360237
-1.730348
other
V1H2
3
225
18.46
mp-1597
11.60237
8.500416
2.046861
other
U1O2
3
225
40.56
mp-1525
-5.372615
-3.721526
-0.94924
other
Ce1Te1
2
225
66.35
mp-1184365
-8.574598
-6.435421
2.451646
other
Eu1Au3
4
225
89.02
mp-1062711
-4.186218
-6.819503
1.681995
other
Rb2Pd1
3
225
140.2