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-1185544
6.903519
8.836392
-1.86741
other
Cs1Tl1O3
5
221
93.27
mp-22556
-7.309465
-7.057791
7.043127
other
Tm3Tl1C1
5
221
169.33
mp-1183972
7.108766
8.71521
-1.467147
other
Cs1Sr1O3
5
221
119.8
mp-865120
11.215019
8.881972
2.997207
original
Na1Pa1O3
5
221
81.04
mp-3183
-9.23416
-1.672059
3.801997
other
Dy1B1Rh3
5
221
72.67
mp-1213036
-8.053806
-2.729245
5.706405
other
Er3Ga9Os3
15
221
256.34
mp-976284
10.445828
9.365913
0.73697
other
Eu1Sb1O3
5
221
75.08
mp-19769
-7.483994
-6.20864
5.788383
other
Tb3In1N1
5
221
112.38
mp-1186669
12.341064
9.94036
0.835144
other
Pm1W1O3
5
221
70.31
mp-19828
-6.387959
-1.90212
3.424912
other
Pu1Ru3C1
5
221
72.36
mp-1187569
6.911668
8.634838
-1.587649
other
Yb1In1O3
5
221
69.93
mp-1097026
10.102338
8.995298
2.064696
other
La1Ga1O3
5
221
59.94
mp-1096944
10.709075
11.267216
2.822475
other
Cs1Nb1O3
5
221
72.56
mp-975386
6.92619
8.500205
-1.485791
other
Rb1Dy1O3
5
221
92.29
mp-981386
3.079372
-0.614161
-2.286798
other
Sc1H4Pd3
8
221
75.2
mp-1206910
9.501377
0.623566
0.000474
other
Co1Ag1F3
5
221
66.18
mp-1184599
12.072611
9.479045
2.460718
other
Gd1Zr1O3
5
221
72.11
mp-976133
9.788504
8.729162
-2.519286
other
Na1As1O3
5
221
51.45
mp-31055
-6.421164
-4.783822
2.781957
other
Sc3In1N1
5
221
88.98
mp-1187260
12.497471
10.52497
2.24438
other
Ta1In1O3
5
221
67.28
mp-1187400
11.876767
10.67791
0.540278
other
Tc1Sn1O3
5
221
63.24
mp-21186
-2.358577
-7.99864
1.574769
other
Mn3Rh1N1
5
221
111.67
mp-756315
11.213011
11.676977
0.558788
other
Eu1V1O3
5
221
56.99
mp-1185236
6.791607
8.76311
-1.651581
other
Li1Tm1O3
5
221
48.29
mp-998552
9.542319
9.496385
3.748088
other
Ba1Hf1O3
5
221
72.5
mp-1183790
11.642318
9.128136
2.534533
other
Dy1Pa1O3
5
221
79.95
mp-1183152
9.96348
8.649837
3.282672
other
Ac1Sc1O3
5
221
70.19
mp-637179
-5.042124
-7.285855
3.061899
other
Ca3Sn1N1
5
221
205.07
mp-973269
10.556222
9.576185
-0.905413
other
Sb1Te1O3
5
221
72.67
mp-972160
6.772655
8.757121
-2.216741
other
Yb1Mg1O3
5
221
58.71
mp-976258
7.648631
10.365818
-0.384683
other
Eu1Pt1O3
5
221
67.25
mp-1013702
-4.841202
-6.188192
1.277104
other
Ca3Bi1P1
5
221
197.14
mp-1184051
8.913045
10.46867
-0.364964
other
Cu1Bi1O3
5
221
57.07
mp-1185320
5.279237
10.24739
-2.337727
other
Li1Fe1O3
5
221
53.88
mp-1120765
5.92011
11.116768
-0.507604
other
Ba1Ni1O3
5
221
65.48
mp-973818
6.761298
8.603165
-1.59577
other
Li1Ho1O3
5
221
49.15
mp-10038
-6.958031
-6.779751
6.924572
other
Er3Al1C1
5
221
149.16
mp-1185356
6.550108
8.743572
-2.293473
other
Li1Mg1O3
5
221
62.56
mp-976923
11.530321
10.751116
0.281511
other
Na1Re1O3
5
221
58.76
mp-555036
9.41275
1.874524
2.034023
other
K1Cr1F3
5
221
75.13
mp-1018629
-8.458154
-4.276276
2.238854
other
Y1Pd3C1
5
221
79.49
mp-1185613
6.761792
8.826554
-2.071723
other
Mg1Tl1O3
5
221
62.51
mp-1183469
9.955868
8.974865
-1.847503
other
Bi1Pt1O3
5
221
67.45
mp-16334
-6.952878
0.464261
3.750565
other
Fe3Pd1N1
5
221
57.08
mp-560399
8.784697
0.780114
1.586088
other
Na1Mg1F3
5
221
61.67
mp-1024045
17.565079
9.744375
7.514169
other
Mg3Zn1O4
8
221
78.41
mp-1013535
-4.575472
-6.08104
1.108948
other
Sr3Sb1P1
5
221
227.05
mp-1024036
14.206868
9.466875
3.513169
other
Mg3Si1O4
8
221
83.24
mp-1184148
6.9506
8.523916
-1.662149
other
Er1Be1O3
5
221
43.63
mp-865218
9.296427
10.427435
1.973679
other
Yb1Ti1O3
5
221
57.2
mp-10041
-6.963453
-6.753918
6.979063
other
Tb3Al1C1
5
221
155.21
mp-1017632
-8.003475
-1.113687
2.508396
other
Ni3Sn1N1
5
221
59.71
mp-1383356
-3.252273
-1.576178
-5.341793
other
Ba1Hf1S3
5
221
125.88
mp-510611
6.946699
8.465992
-1.778569
other
La1Co1O3
5
221
87.88
mp-1185485
10.847181
8.552064
2.372609
other
Lu1Al1O3
5
221
49.72
mp-975347
11.942152
9.193886
1.22105
other
Nd1Ge1O3
5
221
62.5
mp-1021667
7.44291
6.634791
-3.37655
other
I1Cl1O3
5
221
71.06
mp-981376
7.922555
8.592119
0.103195
other
Sc1Sn1O3
5
221
69.3
mp-1201221
-5.293273
-0.890538
-4.020486
other
Ag4Rh30S30
64
221
1,050.4
mp-568021
-7.66432
-6.270935
6.474874
other
Er3Al1C1
5
221
110.96
mp-1183540
6.369435
8.714194
-2.350181
other
Ca1Zn1O3
5
221
58.26
mp-1183913
7.178733
9.8896
-1.382224
other
Cs1Pd1O3
5
221
74.07
mp-571330
-7.377419
-6.559309
6.756628
other
Nd3Al1C1
5
221
132.66
mp-613384
6.954636
8.479248
-1.81815
other
Cs1I1O3
5
221
96.72
mp-3105
-8.62679
-4.409128
2.223154
other
Lu1B1Pd3
5
221
78.74
mp-978926
12.152702
9.199443
1.105348
other
Sm1Ge1O3
5
221
61.47
mp-1019799
8.818243
8.725693
0.220396
other
K8N1O3
12
221
281.73
mp-1185693
7.384899
8.182267
-2.537141
other
Mg1B1O3
5
221
37.84
mp-1030631
16.54698
9.66389
5.903293
other
Mg3Mn1O4
8
221
81.58
mp-935811
10.458891
11.522134
3.303688
other
K1Nb1O3
5
221
65.41
mp-1013537
-4.374992
-7.023369
1.847345
other
Sr3As1N1
5
221
195.11
mp-975579
6.730277
8.846357
-1.666903
other
Nd1Be1O3
5
221
49.03
mp-1206323
3.278914
-0.751095
-2.515823
other
Cs1Yb1H3
5
221
98.12
mp-1186756
7.091877
8.597055
-1.410984
other
Sr1Yb1O3
5
221
80.39
mp-1184481
7.08924
10.636078
1.121732
other
Gd1Cu1O3
5
221
54.82
mp-22535
10.650899
10.305264
3.263185
other
Hf1Pb1O3
5
221
71.76
mp-1183712
12.141364
9.128432
-0.982142
other
Cr1Ge1O3
5
221
52.45
mp-29725
-9.121404
-1.756177
3.796195
other
Y1B1Rh3
5
221
72.97
mp-1013548
-5.134434
-6.167304
1.531854
other
Ca3Sb1N1
5
221
114.8
mp-1019801
8.753509
8.83183
0.106803
other
K8P1O3
12
221
322.13
mp-22542
-7.443434
-6.479144
6.344513
other
Tm3Pb1C1
5
221
110.93
mp-1147742
4.598699
2.266418
-3.070276
other
Cs1Cr1C6
8
221
138.5
mp-15805
-5.778008
0.086516
3.333819
other
Mn3Zn1N1
5
221
62.21
mp-1016871
7.60603
8.658135
-0.240527
other
Zr1Hg1O3
5
221
73.3
mp-1183406
7.103954
8.589961
-1.431936
other
Ba1Yb1O3
5
221
85.06
mp-9831
7.062221
8.512553
-1.304047
other
La1Ga1O3
5
221
97.33
mp-1183044
7.31112
8.68871
-0.246023
other
Zr1Tl1O3
5
221
74.76
mp-1069270
-8.271618
-0.783276
2.46591
other
Zn1Ni3N1
5
221
51.77
mp-998322
8.188694
0.978073
1.600819
other
Cs1In1F3
5
221
102.13
mp-1183045
12.620594
9.793442
1.95418
other
Zr1Ti1O3
5
221
57.47
mp-1004524
-0.679825
2.452106
-3.469997
other
H1Pb1I3
5
221
243.46
mp-981550
6.838307
8.523417
-1.551145
other
Rb1Tm1O3
5
221
88.46
mp-1195670
-8.417418
-4.550458
2.57085
other
Ce8Ga1Pd24
33
221
603.98
mp-1183538
7.233913
8.505206
-0.702407
other
Ca1Tm1O3
5
221
77.97
mp-974108
6.318562
11.899002
-0.911945
other
Ni1Pb1O3
5
221
55.33
mp-18747
12.261409
10.584865
0.42972
other
Sr1Mo1O3
5
221
67.95
mp-1016931
11.836745
12.646297
-1.860702
other
V1Zn1O3
5
221
54.03
mp-1016829
9.121918
11.051767
0.42728
other
Mg1Ru1O3
5
221
58.56
mp-1215080
-2.70658
-8.438109
1.25573
other
Ag12S1Br1
14
221
7,332.2
mp-1218347
2.130582
1.91534
1.350574
other
Sr9B6N12
27
221
447.19