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-387
-5.632858
-4.546338
0.957327
original
Ce1Sb1
2
225
68.22
mp-1183138
-6.008247
-5.015612
5.674654
other
Al3H1
4
225
58.71
mp-414
-3.329527
-4.126657
-2.93412
other
Lu1Se1
2
225
43.78
mp-2563
-3.427827
-3.95229
-2.888614
other
Ce1Se1
2
225
55.14
mp-29551
-5.871632
-7.331244
2.769948
other
Na3Hg1
4
225
110.14
mp-2530
-5.826229
-3.209854
-2.478355
other
Li2Te1
3
225
69.09
mp-1094614
-6.340503
-6.025197
3.632409
other
Mg1Ga3
4
225
79.38
mp-977138
-6.202114
-1.300807
4.159524
other
Na1Tc3
4
225
60.28
mp-2458
6.873631
8.51747
-1.324144
other
Tb1O2
3
225
40.96
mp-22926
-6.397282
-5.545492
2.07212
other
La1Bi1
2
225
73.96
mp-21009
-4.37649
-3.562245
-3.952817
other
Eu1Se1
2
225
57.55
mp-979954
-6.13227
-7.07435
4.286352
other
Yb3Tc1
4
225
98.04
mp-973853
-6.298437
-5.041226
5.345592
other
Pa3Tc1
4
225
88.04
mp-20534
-7.872146
-9.323357
6.684646
other
Gd1Mg3
4
225
98.35
mp-568560
-0.031275
1.698196
-4.562934
other
Tl1Br1
2
225
74.66
mp-985283
-7.863649
-6.589888
2.149905
other
Ag3Ge1
4
225
72.98
mp-1183358
-5.32393
-1.560121
3.928801
other
Ba1Re3
4
225
74.13
mp-600
-5.300039
-4.893058
0.806304
other
Yb1As1
2
225
53.2
mp-569639
1.352352
2.360065
-5.568437
other
Tl1Cl1
2
225
66.74
mp-1021674
0.79115
1.764785
-4.211153
other
Ni1Cl1
2
225
30.46
mp-1185815
-8.091711
-9.458455
6.630004
other
Mg3U1
4
225
97.9
mp-1186538
-8.924661
-6.098151
2.596698
other
Pm1Au3
4
225
84.38
mp-23245
-6.850905
-5.734858
3.102476
other
Er1Bi1
2
225
61.36
mp-1184994
-6.97771
-7.563338
1.737566
other
K1Hg3
4
225
118.65
mp-30782
-6.520431
-10.952355
5.909339
other
Sr6Mg23
29
225
820.69
mp-1185274
-4.792905
-5.065016
4.129554
other
Li1Np3
4
225
63.52
mp-1753
-5.192427
-4.134064
0.594816
other
Th1As1
2
225
54.37
mp-974417
-5.633571
-0.939133
3.928168
other
Re3Sb1
4
225
65.32
mp-571059
-8.045237
-7.281275
4.013573
other
Y1Cd3
4
225
90.83
mp-1186218
-5.994705
-2.116226
3.752018
other
Nb3Os1
4
225
67.75
mp-10760
-4.638035
-3.640194
-4.207469
other
Mg1Se1
2
225
40.86
mp-2470
-3.006541
-3.787194
-3.289521
other
Dy1S1
2
225
41.67
mp-1001602
-3.738485
1.666283
2.925691
other
B12W1
13
225
98.72
mp-867343
-6.497049
-7.026993
3.154854
other
Li3Cd1
4
225
72.28
mp-1063245
-5.309291
-7.109872
3.602826
other
Sr2Rh1
3
225
97.33
mp-1187811
-8.445895
-7.036087
3.138369
other
Y1Ag3
4
225
81.28
mp-2114
2.162961
1.682436
1.937931
other
Y1N1
2
225
29.35
mp-1185090
-4.014798
-7.081973
1.698675
other
K3Rb1
4
225
324.13
mp-981
8.431109
1.033682
1.691241
other
Sr1F2
3
225
48.74
mp-1185872
3.584587
-0.654602
-2.330825
other
Mg1H3
4
225
26.04
mp-19079
8.580464
13.17016
-0.966926
other
Co2O2
4
225
38.31
mp-656
-3.26621
-3.768511
-3.245841
other
Lu1S1
2
225
38.33
mp-1008376
2.840857
-0.533733
-1.742227
other
Ce1H3
4
225
40.38
mp-1186017
-5.431567
-7.259901
2.935718
other
Na3Ag1
4
225
105.42
mp-1185141
-3.87841
-7.182729
2.391577
other
K3Th1
4
225
219.6
mp-1008275
-6.780164
-0.690822
3.791026
other
Cr3Ni1
4
225
47.77
mp-1183982
-5.75209
-5.607747
3.933522
other
Ga3Si1
4
225
72.48
mp-1187204
-5.641563
-2.509651
3.606233
other
Ta3Pt1
4
225
68.45
mp-1269
-2.931422
-3.767835
-3.468929
other
Sm1S1
2
225
45.38
mp-976863
-7.274887
-6.889999
7.028051
other
Na1Tm3
4
225
120.93
mp-1187203
-5.88917
-2.227083
3.929595
other
Ta3Re1
4
225
67.87
mp-24721
3.291849
-0.867998
-2.318055
other
Rb1H1
2
225
54.22
mp-1057084
4.22416
4.022502
-3.39113
other
N1Cl1
2
225
25.23
mp-1748
-2.878753
-3.721178
-3.543983
other
Nd1S1
2
225
47.6
mp-1227285
-7.505285
-4.353697
0.83122
other
Bi1Pd3
4
225
69.49
mp-23268
-1.119334
2.549175
-2.575817
other
Na1I1
2
225
66.69
mp-635413
-4.818789
-6.350993
0.914092
other
Cs3Bi1
4
225
207.19
mp-1184990
-6.087909
-11.150829
5.832205
other
K1Mg3
4
225
119.34
mp-1229100
-4.633598
-2.449254
-4.305096
other
Ag2Se1
3
225
67.51
mp-973446
-4.006385
-7.267651
2.18082
other
K3W1
4
225
183.63
mp-1184098
-7.75388
-6.758022
7.098447
other
Dy3V1
4
225
108.78
mp-973895
-8.69858
-1.045877
2.8606
other
Ni3H1
4
225
38.18
mp-1094180
-5.347108
-4.861609
4.265652
other
Hf1Mg1
2
225
46.9
mp-1216
9.819797
8.775315
2.492839
other
Yb1O1
2
225
26.78
mp-1004753
-3.525305
1.856842
2.87999
other
Pr1B12
13
225
109.54
mp-708
-5.49918
-4.170819
0.680801
other
La1As1
2
225
59.53
mp-1183683
0.083318
-0.142334
-0.052666
other
Co3H1
4
225
38.1
mp-1061530
-4.898887
-3.133275
-3.669365
other
Rb1Se1
2
225
88.42
mp-20158
5.946841
8.854034
-2.069654
other
Pb1O2
3
225
39.45
mp-978882
-6.30765
-5.600185
0.591368
other
Sn1Bi3
4
225
123.49
mp-23722
3.529261
0.823008
-2.671723
other
H1Cl1
2
225
23.25
mp-2597
-6.098851
-3.426471
-2.101363
other
In1Te1
2
225
60.73
mp-1184226
-6.966509
-5.726767
3.2795
other
Ga3Ag1
4
225
75.49
mp-754545
11.76815
8.789045
1.856039
other
Nd1O1
2
225
32.23
mp-1039454
-5.292189
-7.353735
3.886818
other
Ca3Zn1
4
225
126.95
mp-1008642
-2.463137
0.113645
2.934928
other
U1C2
3
225
39.08
mp-1187513
-6.115956
-7.142927
1.953795
other
Tl3Cd1
4
225
120.07
mp-1187961
-5.954908
-7.239332
4.850414
other
Yb3Pm1
4
225
148.98
mp-1186145
-7.196401
-6.901766
6.876323
other
Na1Ho3
4
225
124.28
mp-1008677
10.563577
12.49245
1.578256
other
Ti1O2
3
225
28.34
mp-1062676
-3.797821
-7.149971
1.731304
other
K2Pt1
3
225
108.15
mp-1096955
-3.596064
1.871706
2.913871
other
Eu1B12
13
225
106.03
mp-974949
-4.151671
-6.844023
1.882445
other
Rb3Ir1
4
225
144.88
mp-1094402
-7.355665
-8.550076
6.617485
other
Y1Mg1
2
225
60.57
mp-1186783
-7.95272
-3.581798
2.420551
other
Pt3Cl1
4
225
65.56
mp-978856
3.407113
-0.677801
-2.521773
other
Sr1H3
4
225
46.03
mp-1254
-5.789332
-3.871509
-1.245058
other
Lu1Te1
2
225
54.37
mp-983062
-4.183063
-7.088741
1.966124
other
K3Cd1
4
225
195.99
mp-972456
-7.510324
-6.886435
7.154441
other
Sm3V1
4
225
115.17
mp-1206741
-5.897021
-2.798296
5.157946
other
Si2Ir1
3
225
45.91
mp-1009837
-5.230765
-0.249405
3.258242
other
Tc1C1
2
225
20.44
mp-8426
-4.555799
-2.832599
-4.017119
other
K2Se1
3
225
112.89
mp-20581
-5.514467
-7.176414
3.867068
other
Ca3In1
4
225
131.5
mp-1008610
1.451493
2.324121
0.350886
other
Au1N1
2
225
25.46
mp-972514
-5.599649
-3.897321
3.828519
other
Sm1Ta3
4
225
82.57
mp-974883
-4.054489
-7.032728
1.704627
other
Rb3Na1
4
225
303.83
mp-1002227
-5.017763
-6.095891
0.598666
other
Rb1Sb1
2
225
109.61
mp-15694
-5.114951
-4.093962
0.417385
other
Pa1As1
2
225
48.31
mp-972048
-9.500607
-4.772208
3.565334
other
Zn6Mo1
7
225
110.94
mp-22745
-5.467302
-1.584722
-3.028513
other
Co9Se8
17
225
267.56