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-982040
6.028682
8.914267
-1.644764
other
K1Bi1O3
5
221
78.63
mp-1185401
6.858806
8.592293
-1.59918
other
Li1Gd1O3
5
221
50.8
mp-1013712
-4.450752
-6.181057
1.482532
other
Ba3Sb1P1
5
221
272.53
mp-1185417
6.521021
8.677998
-2.423423
other
Li1Yb1O3
5
221
50.86
mp-1183422
6.95111
8.188331
-2.75933
other
Be1B1O3
5
221
34.8
mp-973447
7.079943
8.596655
-1.574929
other
K1Ba1O3
5
221
126.03
mp-1186345
7.065042
11.476912
-1.242635
other
Ni1Pd1O3
5
221
50.25
mp-1206367
12.315597
8.773911
2.572298
other
Ce3Al1O1
5
221
112.48
mp-866820
-3.369353
-1.60987
-5.295104
other
Ca1Sn1S3
5
221
141.04
mp-7130
-5.852659
-0.539421
3.467367
other
Sc1Ru3C1
5
221
66.99
mp-974505
11.941442
10.396373
-0.107266
other
Re1Te1O3
5
221
64.26
mp-567939
1.150555
1.988072
-5.30357
other
Cs1Sm1Cl3
5
221
166.36
mp-981132
12.274809
9.263124
1.034337
other
Tb1Ge1O3
5
221
60.04
mp-1186764
12.307298
10.336621
0.381412
other
Sr1W1O3
5
221
68.99
mp-1184220
7.429548
9.290568
-1.689137
other
Ga1Te1O3
5
221
58.73
mp-1206772
-9.229123
-1.875488
3.824557
other
Th1B1Rh3
5
221
77.1
mp-978844
9.355381
8.545102
1.947893
other
Sr1Ca3O4
8
221
120.99
mp-1183451
6.890824
9.018507
-2.25224
other
Be1Pt1O3
5
221
42.97
mp-1187746
11.782873
12.252397
-1.688462
other
V1Co1O3
5
221
53.84
mp-985585
9.700274
11.676064
-0.489397
other
Li3Cl1O1
5
221
59.7
mp-24419
3.274381
-0.509764
-2.362243
other
Sr1Li1H3
5
221
99.3
mp-1185122
11.398707
9.24743
1.238243
other
La1Sn1O3
5
221
74.8
mp-1186799
11.332726
9.301195
2.698089
other
Pu1Pb1O3
5
221
82.77
mp-985545
8.297714
12.235294
-1.586003
other
Co1Te1O3
5
221
53.98
mp-972116
11.510483
10.193944
-0.206694
other
V1Ir1O3
5
221
60.58
mp-862606
9.674363
9.524314
1.564772
other
Eu1Sn1O3
5
221
67.72
mp-550008
9.539689
8.435116
1.125775
other
Sc1Bi1O3
5
221
67.71
mp-1016852
6.258425
11.612131
0.922069
other
Ba1Mn1O3
5
221
65.61
mp-998414
9.228999
0.694648
0.038422
other
Cu1Ag1F3
5
221
64.41
mp-628614
-7.877234
-2.433533
3.924622
other
Ce4Si14Rh30
48
221
692.92
mp-1183288
6.742818
8.680715
-1.199028
other
Ba1In1O3
5
221
78.72
mp-8037
9.409006
8.692764
3.082499
other
Ba1Th1O3
5
221
97.34
mp-1183543
6.781507
8.584653
-1.294034
other
Ca1In1O3
5
221
72.13
mp-1016828
8.468742
10.699313
-0.541848
other
Cd1Ir1O3
5
221
61.78
mp-755572
12.255596
10.22692
2.478078
other
Eu1Nb1O3
5
221
67.08
mp-1099249
16.540224
9.428093
6.701043
other
Mg3Cu1O4
8
221
74.07
mp-1104503
-8.16697
-2.874094
5.56605
other
Y3Ga9Ru3
15
221
260.82
mp-1016873
9.88422
9.824486
3.931614
other
Ca1Hf1O3
5
221
67.27
mp-11824
-4.20935
-5.262161
1.675708
other
Ca3P1N1
5
221
104.6
mp-1183290
7.767076
10.194392
-0.126728
other
Ba1Pt1O3
5
221
70.86
mp-20164
-2.486081
-7.945084
1.726149
other
Mn3Ga1C1
5
221
98.78
mp-558168
8.300165
1.815615
-0.675068
other
Ba4Au8F48
60
221
1,145.48
mp-1016900
10.11047
10.619981
0.789868
other
Ca1Os1O3
5
221
61.73
mp-1013541
-4.758224
-6.131367
0.903139
other
Sr3Sb1As1
5
221
228.1
mp-1184486
9.866084
8.391166
3.263792
other
Gd1Er1O3
5
221
76.29
mp-1016848
7.789557
10.243888
0.286754
other
Sr1Ir1O3
5
221
63.91
mp-1207055
-6.350725
-0.367273
3.539913
other
Mn3Al1N1
5
221
53.57
mp-1433892
12.450268
10.305532
0.12969
other
Al1Mo1O3
5
221
64.37
mp-558694
9.407049
1.360784
1.753952
other
Cs1Fe1F3
5
221
80.16
mp-754696
12.144566
9.834514
2.198259
other
Pr1Ti1O3
5
221
61.31
mp-1186885
7.899445
8.682581
-2.447133
other
Rb1Ge1O3
5
221
61.57
mp-1076534
10.580198
11.534297
3.282474
other
Rb1Ta1O3
5
221
67.48
mp-1080847
2.70589
2.640169
0.825154
other
Mg3Sb1N1
5
221
82.05
mp-1207568
-8.403005
-4.692055
2.294755
other
Yb3Ga12Pd21
36
221
624.84
mp-29056
-7.14786
-6.429006
6.021998
other
La3In1C1
5
221
144.65
mp-1184939
6.641575
8.681957
-2.268057
other
K1Li1O3
5
221
66.37
mp-1206820
-5.869292
-0.577238
3.55464
other
Ho1Ru3C1
5
221
70.35
mp-1206805
-6.167326
-0.228205
3.397538
other
Mn3Sb1N1
5
221
59.9
mp-981103
9.326244
8.681411
1.911781
other
Sr3Cd1O4
8
221
129.74
mp-3088
-9.248575
-1.857452
3.752568
other
La1B1Rh3
5
221
77.41
mp-4346
8.012516
10.691591
1.040086
other
Sr1Ru1O3
5
221
63.39
mp-20229
-7.21008
-7.078442
7.115917
other
Sm3In1C1
5
221
186.24
mp-1187745
11.753483
9.134285
1.994559
other
U1Hg1O3
5
221
78.91
mp-18841
9.988244
11.090444
1.917802
other
La1Cr1O3
5
221
60.57
mp-1016845
8.612527
9.123116
1.55738
other
Zr1Cd1O3
5
221
71.96
mp-12631
11.220087
10.594067
0.938273
other
Sr1Tc1O3
5
221
62.21
mp-974734
6.565719
8.721807
-2.354456
other
K1In1O3
5
221
79.98
mp-1076820
6.058422
12.47229
-1.87168
other
Mg1Co1O3
5
221
48.94
mp-1183282
6.271916
8.71185
-2.418303
other
Ba1Be1O3
5
221
59.05
mp-14254
10.559007
8.670378
2.523818
other
Nd2Al2O6
10
221
104.23
mp-10175
8.428741
0.867518
1.110156
other
K1Cd1F3
5
221
84.15
mp-557964
-4.044916
-1.647618
-5.374362
other
Li9S3N1
13
221
162.39
mp-975382
7.0296
8.660299
-1.743566
other
Rb1Ca1O3
5
221
98.4
mp-1186758
7.293
8.47412
-0.413173
other
Sr1Tm1O3
5
221
80.42
mp-1183696
8.079645
11.705223
-2.538797
other
Cr1Cu1O3
5
221
50.6
mp-3323
10.086483
9.610416
4.078718
other
Sr1Zr1O3
5
221
73.96
mp-1245828
-6.375735
-6.34696
5.194178
other
Ce3Sn1N1
5
221
203.11
mp-1104547
-8.158683
-2.727265
5.577226
other
Ho3Ga9Ru3
15
221
257.5
mp-1101333
7.156925
8.430399
-0.445407
other
Sr1Nd1O3
5
221
90.91
mp-21313
-6.116068
-0.184469
3.584645
other
Mn3Ga1C1
5
221
62.89
mp-1016902
9.407959
9.600533
-0.142764
other
Zn1Sn1O3
5
221
65.4
mp-1078643
3.329557
-0.707794
-2.372781
other
Rb1Na3H4
8
221
147.69
mp-1475723
12.157492
10.727331
1.899585
other
Ti1Al1O3
5
221
57.55
mp-4593
-6.259557
-0.285996
3.749712
other
Mn3Al1C1
5
221
62.13
mp-19328
12.304753
10.972901
-0.911094
other
Na1W1O3
5
221
62.55
mp-1187779
12.291231
9.66234
1.325592
other
U1Re1O3
5
221
63.1
mp-12725
11.165686
11.692877
2.554911
other
Nb1Ag1O3
5
221
65.16
mp-972442
7.925424
7.068049
-1.92139
other
Sn1B1O3
5
221
42.61
mp-1013691
-4.473896
-6.146561
1.532831
other
Ba3Bi1P1
5
221
231.76
mp-27214
-0.480404
1.212362
-4.758498
other
Cs1Sn1Br3
5
221
199.07
mp-1069526
-6.394317
-6.603765
5.980571
other
Ce3In1C1
5
221
199.13
mp-1040467
8.583554
10.784014
0.222231
other
Rb1Os1O3
5
221
62.76
mp-20097
-7.974853
-3.393728
2.224861
other
Pt3Pb1C1
5
221
82.2
mp-1187146
7.447365
10.162593
-1.182906
other
Sr1Au1O3
5
221
70.74
mp-1013549
-4.636902
-6.479778
1.914896
other
Ba3Bi1N1
5
221
176.76
mp-1183287
7.336225
10.25319
-0.899397
other
Ba1Au1O3
5
221
74.71
mp-1099244
14.016212
9.494187
2.820805
other
Mg3W1O4
8
221
87.66
mp-1187421
10.69241
8.747409
2.348677
other
Th1Be1O3
5
221
49
mp-20796
-7.9715
-3.384468
2.322401
other
In1Pt3C1
5
221
77.23
mp-1210746
-7.500768
0.158825
3.600094
other
Mn1Co3C1
5
221
52.92