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-644246
3.149581
-0.958574
-2.227731
other
Eu1H3Pd1
5
221
54.49
mp-1399724
9.23987
12.536069
-0.161352
other
Mn1Al1O3
5
221
53.12
mp-1147710
1.640707
2.882815
-5.661553
other
Cs1Pd1Cl3
5
221
129.8
mp-1016904
11.93366
12.812402
-2.106908
other
V1Cd1O3
5
221
56.63
mp-1187493
7.610345
8.418562
-1.287594
other
Yb1Sc1O3
5
221
66.37
mp-1184215
12.099833
8.281894
-2.599555
other
Fe1As1O3
5
221
54.85
mp-1184206
11.305256
9.092377
-0.293268
other
Ga1Si1O3
5
221
45.75
mp-632808
3.337264
-0.615955
-2.319989
other
Ba1Li1H3
5
221
130
mp-1102716
10.141571
11.113214
0.043978
other
Li8Sb1O3
12
221
145.1
mp-1018633
-8.139168
-3.345428
2.341364
other
La1B1Pt3
5
221
86.99
mp-558843
7.664237
6.73289
-2.930691
other
K1I1O3
5
221
74.1
mp-637378
-7.579932
-6.345843
6.133405
other
Gd3In1N1
5
221
115.95
mp-1024037
7.430257
8.851749
-1.238402
other
Na1Mg3O4
8
221
82.53
mp-1184153
11.791096
9.300246
1.070045
other
Dy1Sn1O3
5
221
70.88
mp-1184950
7.338149
8.561102
-0.94553
other
K1Zr1O3
5
221
76.13
mp-573180
6.611215
11.334352
1.211132
other
La1Co1O3
5
221
55.6
mp-4230
-3.07403
-0.455142
3.249744
other
Sc3Tl1C1
5
221
93.84
mp-1178510
7.385207
10.226539
-0.430053
other
Ba1Pd1O3
5
221
70.36
mp-973977
7.36281
8.643894
-0.172832
other
Ho1Sn1O3
5
221
82.42
mp-1206343
-8.268465
-0.830615
2.284716
other
Cd1Ni3C1
5
221
57.79
mp-10881
-6.677951
-5.829156
5.342879
other
Ce3Al1N1
5
221
118.32
mp-974061
7.484359
8.588656
-2.684005
other
K1Si1O3
5
221
49.96
mp-1186154
5.545074
11.110243
-1.686018
other
Na1Ni1O3
5
221
55.79
mp-1187736
12.429845
9.725742
1.785596
other
U1Ti1O3
5
221
60.36
mp-20159
-6.247875
-6.623099
5.516285
other
Ce3Sn1C1
5
221
199.51
mp-1100775
7.141428
8.90971
-0.23141
other
Sr1Eu1O3
5
221
84.24
mp-22519
-8.350167
-1.979437
3.213789
other
Ce1Rh3C1
5
221
75.61
mp-1017447
11.022142
8.222178
-1.607163
other
Hg1Ge1O3
5
221
55.76
mp-973486
12.10125
10.5079
0.744349
other
Lu1V1O3
5
221
57.23
mp-1426094
11.401011
9.361989
0.340519
other
Al1Sn1O3
5
221
65.77
mp-21035
-3.211909
-0.464795
3.29434
other
Sc3Pb1C1
5
221
94.45
mp-9040
0.965572
0.994729
1.057619
other
Ca3Au1N1
5
221
113.73
mp-753781
10.027806
9.756945
3.998237
other
Eu1Hf1O3
5
221
68.8
mp-10356
-7.194981
-7.034823
6.915562
other
Ho3In1C1
5
221
171.87
mp-1183133
7.369035
10.65936
-1.662425
other
Al1Ir1O3
5
221
49.19
mp-1184913
10.891969
8.707462
-1.852277
other
In1As1O3
5
221
60.85
mp-1018643
-8.703188
-4.450527
2.27914
other
Y1B1Pd3
5
221
80.9
mp-20963
-7.107788
-6.979335
6.927214
other
Tb3Pb1C1
5
221
185.84
mp-1186920
9.837886
9.797208
-1.026022
other
Sb1Au1O3
5
221
64.12
mp-1185344
6.601697
9.03689
-1.892682
other
Li1Eu1O3
5
221
53.3
mp-975299
6.579303
8.775009
-2.287052
other
Rb1In1O3
5
221
82.59
mp-22246
10.03822
10.825146
3.319414
other
Eu1Ti1O3
5
221
59.5
mp-22004
-5.544131
-7.316208
4.091855
other
Yb3Tl1C1
5
221
212.01
mp-971733
6.720212
9.06409
-2.165601
other
Zn1Ga1O3
5
221
56.1
mp-973396
6.25719
8.782487
-2.499573
other
K1Be1O3
5
221
53.65
mp-1068795
8.471822
1.836743
-1.250422
other
Ni1N1F3
5
221
60.64
mp-1207091
1.33135
2.199247
1.321442
other
Cu3Ru1N1
5
221
58
mp-1147702
7.900798
11.222865
-0.400072
other
Li1Cu3O3
7
221
66.89
mp-973655
12.666584
9.307402
0.646296
other
Lu1Si1O3
5
221
49.85
mp-974337
8.181619
11.015389
0.612531
other
Ru1Pb1O3
5
221
64.01
mp-27718
-0.549852
1.321954
-4.721832
original
Cs1Hg1Br3
5
221
184.71
mp-1013554
-4.173737
-5.516572
1.880573
other
Sr3P1N1
5
221
129.49
mp-1184944
6.923699
8.471601
-1.423838
other
K1Ho1O3
5
221
88.02
mp-1016999
10.429566
8.56042
0.759427
other
Sr1Ge1O3
5
221
57.37
mp-1206360
-5.909044
-7.011717
4.415603
other
Yb3Al1C1
5
221
127.61
mp-1185548
7.192842
9.898582
-1.338305
other
Cs1Au1O3
5
221
78.95
mp-976763
6.654022
12.058186
-1.637306
other
Ni1As1O3
5
221
50.5
mp-982558
12.357601
9.235311
1.078292
other
Ho1Ge1O3
5
221
59.54
mp-1187568
6.800462
8.666662
-1.853137
other
Yb1Cd1O3
5
221
69.3
mp-556424
9.51263
2.603887
1.764113
other
Rb1V1F3
5
221
73.12
mp-1187572
7.673145
11.599411
-0.394952
other
Yb1Cr1O3
5
221
53.91
mp-1183150
12.177494
8.95887
0.841285
other
Ac1Si1O3
5
221
62.58
mp-1183914
8.35706
10.834121
0.151526
other
Cs1Os1O3
5
221
66.69
mp-1206516
-7.800539
-6.486887
6.409
other
Lu3In1C1
5
221
107.41
mp-1024039
14.897822
9.692547
4.017642
other
Mg3Al1O4
8
221
81.03
mp-1184117
6.752682
11.1292
-0.934477
other
Cu1Pb1O3
5
221
58.1
mp-1183922
7.009482
8.482823
-1.425397
other
Cs1Nd1O3
5
221
104.99
mp-1187183
6.694073
8.776504
-1.916496
other
Sr1Li1O3
5
221
59.75
mp-16287
-8.373585
-1.736467
3.117934
other
Nd1Rh3C1
5
221
74.45
mp-568544
1.404074
2.708666
-5.927855
other
Cs1Cd1Cl3
5
221
145.9
mp-1099255
17.282234
9.819267
6.931045
other
Mg3Cd1O4
8
221
87.92
mp-984723
10.60071
8.639737
2.531655
other
Dy1Al1O3
5
221
51.12
mp-23729
3.484896
-0.601077
-2.310103
other
Na1Be1H3
5
221
37.36
mp-19062
10.102601
11.082885
1.791175
other
Nd1Cr1O3
5
221
59.41
mp-1016872
8.166684
10.493232
-0.035877
other
Ca1Ir1O3
5
221
61.79
mp-1186571
7.297588
8.636369
-0.122702
other
Pm1Eu1O3
5
221
87.94
mp-559946
9.383799
0.480565
0.681967
other
K1Co1F3
5
221
69.19
mp-18770
10.298225
11.18613
1.401168
other
Y1Cr1O3
5
221
57.24
mp-975394
6.382579
8.903703
-2.556228
other
Rb1Be1O3
5
221
58.46
mp-19726
-7.479247
-5.447823
5.159729
other
Sc3In1B1
5
221
103.09
mp-19847
-7.531552
-6.378194
5.72661
other
Tm3In1N1
5
221
103.91
mp-1187621
12.268259
11.131373
-0.840958
other
Tl1W1O3
5
221
67.78
mp-1185529
12.036789
9.812543
1.12828
other
Lu1Re1O3
5
221
61.92
mp-861502
7.530571
10.712979
1.50227
other
Ac1Fe1O3
5
221
61.8
mp-1184468
6.760039
9.071326
-1.757987
other
Gd1Be1O3
5
221
46.63
mp-998745
8.822582
1.183053
1.382775
other
Tl1Zn1F3
5
221
69.88
mp-1103284
7.700621
8.022559
-0.239945
other
Rb8Bi1O3
12
221
414.73
mp-1099251
15.680548
9.802382
4.721038
other
Mg3Ga1O4
8
221
83.08
mp-1187192
10.209399
9.266253
0.843874
other
Sr1Sb1O3
5
221
74.55
mp-1207083
9.024896
11.663701
-0.790642
other
Fe1Sn1O3
5
221
65.25
mp-1186886
6.911212
8.649392
-2.151809
other
Rb1Hg1O3
5
221
83.95
mp-1187190
7.326563
10.15755
-0.634925
other
Sr1Pd1O3
5
221
65.91
mp-1076000
6.978426
9.738257
-0.812365
other
La1Ag1O3
5
221
69.35
mp-10270
-7.881508
-0.068632
3.702151
other
Sc1Co3C1
5
221
54.05
mp-1187752
11.385099
8.866105
1.905687
other
U1Be1O3
5
221
45.87
mp-1104791
-3.891067
-8.338362
6.984098
other
Li1Mg8Si4
13
221
263.78
mp-2649045
-0.468169
1.197333
-4.74571
other
Cs1In1Br3
5
221
184.33
mp-1183132
12.901427
9.464124
1.027175
other
Al1Si1O3
5
221
45.08
mp-1017578
-8.685311
-1.82621
4.019966
other
Hf1B1Rh3
5
221
68.68
mp-10250
8.831051
1.40663
1.780853
other
Ba1Li1F3
5
221
63.45