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-1120777
9.171359
2.606426
1.786016
other
Na1Ti1F3
5
221
71.89
mp-1105019
-8.187746
-2.8414
5.576281
other
Dy3Ga9Ru3
15
221
259.35
mp-614013
-1.324668
3.07343
-3.010414
other
Cs1Sn1I3
5
221
248.41
mp-30207
-0.041862
0.498084
-2.868774
other
La3Ga1Br3
7
221
231.09
mp-1183759
11.727565
8.70625
2.385489
other
Ce1Pu1O3
5
221
83.18
mp-975255
7.154667
9.928157
-1.414374
other
Rb1Pd1O3
5
221
70.36
mp-561947
8.143785
0.675442
0.864328
other
Cs1Hg1F3
5
221
97.05
mp-1185261
5.819235
11.270632
-1.519145
other
Li1Ni1O3
5
221
53.8
mp-1070737
8.485672
8.634816
-0.212789
other
K3C1O1
5
221
143.14
mp-3710
-9.189746
-1.734829
3.761173
other
Ho1B1Rh3
5
221
72.3
mp-542103
-8.389486
-1.6912
2.95349
other
Tb1Rh3C1
5
221
71.75
mp-1186927
9.673331
9.926443
-1.748866
other
Sb1Pd1O3
5
221
63.68
mp-975333
6.532439
8.703473
-2.180731
other
Li1Ca1O3
5
221
54
mp-1184625
12.062653
8.908835
0.816843
other
Hf1B1O3
5
221
40.18
mp-7070
-6.456898
-0.247498
3.664229
other
Mn3Pt1N1
5
221
62.99
mp-1110999
-0.528345
1.354734
-4.533236
other
Rb1Au1Br3
5
221
160.72
mp-1187220
12.508052
10.488455
1.511427
other
Ta1Fe1O3
5
221
63.02
mp-1184610
6.857988
8.803119
-1.688143
other
Ho1Be1O3
5
221
45.22
mp-1206767
-6.974494
0.716974
4.024422
other
Al1Fe3N1
5
221
51.39
mp-4982
-9.268917
-1.654411
3.788989
other
Sm1B1Rh3
5
221
74.55
mp-1207389
8.269588
1.950734
-1.220346
other
Zn1N1F3
5
221
63.81
mp-1017557
-7.475075
-6.292918
5.952914
other
Dy3Al1N1
5
221
107.23
mp-1207302
8.374171
0.829985
0.561053
other
Cs1Pd1F3
5
221
86.02
mp-1186334
12.283204
9.85181
1.082638
other
Np1Mo1O3
5
221
65.25
mp-976247
5.913985
2.808106
-2.721807
other
H1C12N8
21
221
132.97
mp-1186999
7.425456
8.649723
-2.365271
other
Si1Ag1O3
5
221
47.49
mp-10601
-7.324322
-6.110491
6.384079
other
Y3Ga1C1
5
221
114.39
mp-4505
-7.072186
-6.134608
5.96517
other
La3Al1N1
5
221
132.46
mp-973267
10.111124
10.894131
-0.082203
other
K1Tc1O3
5
221
58.15
mp-1183905
7.369357
8.579879
-0.200476
other
Eu1Er1O3
5
221
79.71
mp-7006
12.228106
10.164679
2.331807
other
Sr1Nb1O3
5
221
67.4
mp-1178268
10.652889
8.574095
2.482605
other
Gd1Al1O3
5
221
52.12
mp-1069296
-5.197174
-6.475678
3.207998
other
Eu3In1O1
5
221
128.99
mp-510380
-6.18137
0.012774
3.430502
other
Mn3Cu1N1
5
221
56.13
mp-1183771
7.127587
10.745122
1.071201
other
Dy1Cu1O3
5
221
53.82
mp-1207995
1.623726
2.655624
0.009491
other
Tl1Cd1N3
5
221
89.46
mp-975173
6.863933
8.469637
-1.577469
other
Rb1Y1O3
5
221
93.77
mp-1187784
12.062005
9.201045
1.276075
other
U1B1O3
5
221
46.18
mp-1186357
12.34667
9.618279
1.334004
other
Np1Ta1O3
5
221
65.86
mp-1016875
8.276162
10.77227
-0.541055
other
Cd1Rh1O3
5
221
61.7
mp-1097916
1.17603
2.375314
-5.930835
other
Cs1Ca1Cl3
5
221
159.04
mp-1185084
9.316652
10.088293
0.289856
other
La1Pt1O3
5
221
68.38
mp-20860
-6.083241
-0.276302
3.256801
other
Mn3Sn1C1
5
221
59.02
mp-979436
11.743382
10.0709
1.217477
other
Y1Os1O3
5
221
62.31
mp-1069273
-6.997988
-6.895541
6.594759
other
Gd3Al1N1
5
221
164.75
mp-11822
-5.307175
-6.49093
3.327856
other
Ca3Ge1N1
5
221
110.88
mp-1069774
-8.792273
-2.201499
3.856606
other
U1B1Rh3
5
221
75.9
mp-1183277
7.762098
6.879177
-1.758033
other
B1Pt1O3
5
221
40.96
mp-546200
7.674384
6.747559
-3.003617
other
Tl1I1O3
5
221
76.75
mp-1075933
6.976012
9.501303
-0.843328
other
Sm1Ag1O3
5
221
67.37
mp-1094072
-7.191724
-6.318013
6.276376
other
Pr3Al1N1
5
221
128.21
mp-1187377
11.717062
9.236455
0.100242
other
Tb1Te1O3
5
221
77.89
mp-1075975
5.95559
11.785799
0.14964
other
Eu1Co1O3
5
221
53.59
mp-1184765
10.897315
9.665375
0.159688
other
In1Sb1O3
5
221
69.24
mp-1186153
6.148641
8.71048
-1.997963
other
Na1Pb1O3
5
221
79.72
mp-1017631
-8.570507
-4.602331
2.383619
other
Sc1B1Pd3
5
221
75.95
mp-1212637
-6.935341
0.531628
3.819198
other
Ga1Fe3N1
5
221
51.84
mp-1013719
-4.793634
-6.418414
1.251698
other
Ba3Bi1Sb1
5
221
285.72
mp-3693
-8.676141
-4.422162
2.170132
other
Ho1B1Pd3
5
221
80.19
mp-1214710
8.275663
1.893022
-0.567145
other
Ba4As8F48
60
221
1,021.89
mp-5304
10.52651
8.720984
2.349214
other
La1Al1O3
5
221
54.14
mp-975425
9.231946
8.603926
-2.156366
other
Rb1As1O3
5
221
61.14
mp-1187533
8.195944
9.088813
-2.15113
other
Tl1Ge1O3
5
221
57.63
mp-1232314
1.54596
2.118929
1.489031
other
Ga1Cu3N3
7
221
71.07
mp-1013534
-4.507342
-7.031388
1.854265
other
Sr3Sb1N1
5
221
240.82
mp-11652
-1.015828
-0.964181
2.664804
other
Yb3Pb1O1
5
221
110.29
mp-606671
-7.09326
-6.897346
6.644276
other
Nd3In1C1
5
221
232.69
mp-973877
12.334268
9.292043
1.315168
other
Pa1B1O3
5
221
47.42
mp-1102539
9.220718
8.94899
0.048179
other
Na8Sb1O3
12
221
232.6
mp-1016819
8.072985
8.543265
0.080303
other
Hf1Zn1O3
5
221
67.75
mp-1187442
10.500981
10.068907
1.001393
other
Th1Pd1O3
5
221
66.22
mp-1206127
-5.891597
-0.518714
3.54024
other
Ce1Ru3C1
5
221
71.96
mp-1096856
-4.432725
-5.662353
0.979813
other
Ca3As1P1
5
221
159.65
mp-1013711
-4.3059
-5.880884
1.472308
other
Ba3As1P1
5
221
234.54
mp-976952
11.354342
9.089123
2.368003
other
Na1Pu1O3
5
221
74.43
mp-1076642
7.075841
11.128666
-2.475876
other
Na1Cr1O3
5
221
52.65
mp-1207932
-8.051728
-2.687401
5.727262
other
Tm3Ga9Os3
15
221
254.93
mp-865927
11.938907
9.776917
2.188187
other
Ac1Ti1O3
5
221
63.8
mp-1184563
12.295732
9.445104
1.494822
other
Hf1Be1O3
5
221
40.65
mp-20182
-8.40332
-1.700455
3.0645
other
Gd1Rh3C1
5
221
72.5
mp-1211584
1.766861
2.719699
-0.07031
other
K1Cd1N3
5
221
95.26
mp-1504314
7.764647
10.962631
-0.503641
other
Al1Cu1O3
5
221
50.62
mp-21319
-6.268507
-6.662552
5.830242
other
Ce3Tl1C1
5
221
201.47
mp-29242
-5.068358
-6.914015
2.94327
other
Ba3Pb1O1
5
221
168.37
mp-1187416
12.473242
9.369046
1.111684
other
Th1B1O3
5
221
49.92
mp-510492
-7.879066
-2.24999
2.857135
other
Pu1Rh3C1
5
221
73.67
mp-1435972
6.892923
11.44834
0.882319
other
Y1Co1O3
5
221
54.26
mp-1206413
-6.129537
-0.516399
3.556672
other
Yb1Ru3C1
5
221
70.52
mp-975179
6.886816
8.833211
-1.91396
other
Rb1Tl1O3
5
221
89.06
mp-1184778
9.954547
8.38817
3.218523
other
Ho1Er1O3
5
221
76.57
mp-1030635
15.207059
9.722213
4.663009
other
La1Mg3O4
8
221
106.85
mp-579768
1.138993
1.875805
-5.206096
other
Cs1Tm1Cl3
5
221
149.91
mp-1099583
12.194506
9.827047
2.083656
other
Sm1Ti1O3
5
221
59.95
mp-1068011
3.316325
-0.53543
-2.348941
other
Sr1Al1H3
5
221
96.42
mp-1187460
12.244605
9.936403
0.957867
other
Th1Mo1O3
5
221
69.39
mp-22351
-6.391607
-1.041324
3.838773
other
Nb1Ru3C1
5
221
67.18
mp-1209047
0.994049
2.035987
-5.630345
other
Rb1Sr1Cl3
5
221
184.83
mp-975200
7.067355
8.658026
-1.509851
other
Rb1Sr1O3
5
221
114.29
mp-1183878
6.752797
8.827374
-1.618541
other
Eu1Cd1O3
5
221
72.16
mp-975134
7.263721
10.167734
-1.14784
other
K1Rh1O3
5
221
63.6