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-22394
-5.883085
-0.450882
3.543778
original
Th1Ru3C1
5
221
74.77
mp-1069538
-1.225834
2.861529
-2.908161
other
Cs1Pb1I3
5
221
247.1
mp-978490
9.259136
9.62296
-2.338247
other
Si1Pd1O3
5
221
46.59
mp-1016854
8.040434
13.622476
-1.229934
other
Mn1Cd1O3
5
221
55.43
mp-1184471
6.918442
9.004347
-0.949335
other
Gd1Cd1O3
5
221
70.88
mp-1017566
10.757251
8.478461
-0.608335
other
Ge1Pb1O3
5
221
58.79
mp-1187623
10.541945
11.076738
0.211816
other
Tl1Tc1O3
5
221
63.56
mp-1186993
12.700026
9.289012
0.822411
other
Sc1Si1O3
5
221
45.98
mp-1214902
-5.94696
-3.195489
-2.18877
other
Ag3Sb1Te4
8
221
214.43
mp-1206715
-7.211743
0.720507
3.941907
other
Al1Fe3B1
5
221
55.84
mp-554465
9.625354
1.571863
1.980521
other
Rb1Fe1F3
5
221
75.19
mp-1185841
7.715613
8.410722
-2.189233
other
Mg1Al1O3
5
221
49.6
mp-1207135
-7.556459
-7.014417
6.554832
other
Gd3Tl1C1
5
221
122.64
mp-20430
-7.077852
-6.969751
6.773847
other
Er3Pb1C1
5
221
178.01
mp-1186138
6.541193
8.756402
-2.269191
other
Na1In1O3
5
221
76.16
mp-1147612
1.479568
2.075598
1.298319
other
Mg1Cu3N3
7
221
70.87
mp-3428
-8.709039
-4.463116
2.245912
other
Sm1B1Pd3
5
221
82.88
mp-866036
7.943609
10.705887
0.969389
other
Eu1Ru1O3
5
221
63.27
mp-1013532
-4.508107
-5.928224
1.087106
other
Sr3As1P1
5
221
194.1
mp-1206773
-5.91108
-0.631141
3.570518
other
Tm1Ru3C1
5
221
69.64
mp-1187535
11.661086
10.351563
0.736308
other
Yb1Re1O3
5
221
60.66
mp-7223
-4.820143
-5.927946
1.624034
other
Ca3As1N1
5
221
107.23
mp-998160
9.425328
0.674153
0.755261
other
Tl1Co1F3
5
221
74.11
mp-22793
-7.043409
0.5298
3.737081
other
Al1Fe3C1
5
221
54.43
mp-1184484
12.59692
9.280702
0.750725
other
Gd1Si1O3
5
221
51.91
mp-984745
7.009813
8.56038
-2.077575
other
Cs1Sn1O3
5
221
78.07
mp-1016840
9.504735
11.158882
0.044925
other
Hg1Os1O3
5
221
61.85
mp-1075973
8.421096
11.285528
1.990525
other
Sm1Mn1O3
5
221
59.09
mp-20572
9.740224
2.677372
1.851915
other
Na1V1F3
5
221
72.4
mp-4170
10.743629
11.692032
3.296389
other
Na1Ta1O3
5
221
61.53
mp-1099934
5.67965
11.94809
-0.594164
other
Ca1Co1O3
5
221
53.31
mp-1184207
6.49159
9.110187
-1.020622
other
Er1Zn1O3
5
221
56.07
mp-973738
7.771001
6.744695
-1.76765
other
Ge1B1O3
5
221
39.56
mp-1099619
6.963775
11.998837
1.405927
other
Eu1Mn1O3
5
221
58.27
mp-1017553
-7.583732
-0.161193
3.584068
other
Cd1Co3N1
5
221
57.29
mp-1055491
8.301615
0.511753
0.429764
other
Rb1Ag1F3
5
221
82.17
mp-1206518
1.344422
2.430275
-5.345342
other
Rb1Fe1Cl3
5
221
119.83
mp-1188025
11.078136
10.374035
0.320953
other
Zr1Ni1O3
5
221
50.26
mp-554973
9.150909
0.667912
0.599939
other
Tl1Cu1F3
5
221
68.21
mp-1206514
1.391268
2.119004
1.17567
other
Mg3As1N1
5
221
74.42
mp-1184597
12.108435
9.488425
1.980529
other
Hf1Th1O3
5
221
69.95
mp-1099248
16.380249
9.23765
6.626891
other
Mg3C1O4
8
221
74.02
mp-1024046
14.764033
9.661289
4.141246
other
Y1Mg3O4
8
221
94.04
mp-1186742
6.77298
8.927293
-1.775361
other
Pr1Be1O3
5
221
49.85
mp-3686
-9.012117
-1.812824
3.914252
other
Yb1B1Rh3
5
221
72.86
mp-10139
-7.366048
-5.327559
5.110735
other
Sc3Sn1B1
5
221
100.8
mp-20031
6.694438
11.303661
1.142004
other
Nd1Co1O3
5
221
54.96
mp-865322
11.727818
9.059559
1.978853
other
U1Tl1O3
5
221
80.92
mp-1016836
10.615689
10.913493
0.315075
other
Zn1Os1O3
5
221
59.18
mp-1018638
-7.350836
-6.196259
6.003971
other
Tb3Al1N1
5
221
109.41
mp-37214
7.953568
13.345622
-0.329408
other
Mn1Pb1O3
5
221
59.99
mp-10675
0.535646
1.031533
2.716604
other
Ti3Al1N1
5
221
69.78
mp-10609
-7.691292
-6.34407
6.520783
other
Lu3Sn1C1
5
221
105.7
mp-1187480
7.911376
10.238522
-0.799662
other
Yb1Pt1O3
5
221
62.35
mp-1211589
1.114674
2.163684
-5.667999
other
K1Ca1Cl3
5
221
156.9
mp-982245
8.040315
10.235611
-1.414745
other
Pb1Au1O3
5
221
71.41
mp-1024068
15.577668
9.869045
4.284832
other
Mg3V1O4
8
221
80.01
mp-1209766
8.073788
1.754592
-0.413438
other
Ni1Ag1F3
5
221
82.15
mp-546973
9.290531
9.383906
1.410649
other
Sr1Sn1O3
5
221
69.67
mp-10274
-7.153319
-6.824282
6.902435
other
Er3Ga1C1
5
221
144.96
mp-20040
-8.613854
-4.864332
2.304243
other
Eu1B1Pd3
5
221
81.76
mp-1096862
2.076662
2.873853
-4.329437
other
Cd1H1Cl3
5
221
142.11
mp-579496
-6.896935
0.381265
3.681297
other
Fe3Pt1N1
5
221
57.03
mp-1187518
10.932343
10.707225
1.108117
other
Yb1Tc1O3
5
221
59.46
mp-10266
-7.188108
0.584166
3.639119
other
Zn1Fe3C1
5
221
53.71
mp-1212650
-7.027492
0.794578
3.834011
other
Fe3Co1N1
5
221
49.65
mp-7986
9.62623
9.571864
1.302941
other
Ca1Sn1O3
5
221
67.24
mp-3769
-9.16546
-1.733533
3.828865
other
Er1B1Rh3
5
221
71.94
mp-989602
0.913673
2.395827
1.819765
other
La1Re1N3
5
221
61.86
mp-570231
-0.477002
1.281542
-4.803553
other
Cs1Cd1Br3
5
221
169.12
mp-1210575
8.337741
1.305448
0.366914
other
Mg1Ag1F3
5
221
85.15
mp-1069129
2.411269
2.880347
-4.218832
other
Mn1N1Cl3
5
221
91.39
mp-1020595
8.14517
8.452032
-0.168471
other
Rb8P1O3
12
221
376.99
mp-1186220
12.563151
10.612738
1.501431
other
Nb1Fe1O3
5
221
64.17
mp-1184947
5.652732
11.266049
-1.776538
other
K1Co1O3
5
221
58.14
mp-1100778
6.615805
11.239716
-1.414695
other
Zn1Cu1O3
5
221
52.11
mp-1075911
10.622127
11.326869
3.044581
other
Rb1Nb1O3
5
221
68.86
mp-1186787
6.541459
8.875207
-0.954656
other
Pu1Mg1O3
5
221
56.09
mp-1207063
-2.006066
-8.199698
1.727092
other
Zr1B1Rh3
5
221
107.74
mp-1070242
-2.512005
-8.171272
1.552751
other
Mn3Cu1N1
5
221
91.75
mp-7483
8.155432
0.960688
0.825108
other
K4Hg4F12
20
221
371.8
mp-1184736
7.052121
10.704885
1.162734
other
Ho1Cu1O3
5
221
53.38
mp-1112985
8.380829
0.633346
0.605242
other
Cs1Au1F3
5
221
95.3
mp-1069346
11.929738
10.475306
1.11114
other
Pr1V1O3
5
221
60.97
mp-972839
7.517844
8.606018
-2.430635
other
Si1B1O3
5
221
42.97
mp-1183695
11.856214
10.962687
0.425018
other
Cr1Tc1O3
5
221
58.98
mp-1421511
11.864346
9.31558
0.543785
other
Al1Sb1O3
5
221
66.52
mp-1013563
-4.607154
-6.135906
1.231546
other
Ba3Bi1As1
5
221
243.87
mp-1185896
12.628981
10.638041
-0.538228
other
Mg1Mo1O3
5
221
64.12
mp-1186997
12.937557
9.185872
0.198561
other
Si1Mo1O3
5
221
48.45
mp-1187767
12.219832
9.298988
1.444724
other
U1Si1O3
5
221
54.68
mp-1016821
10.984307
8.319207
0.751209
other
Ba1Si1O3
5
221
56.49
mp-972395
7.032236
8.616317
-1.561596
other
Tm1Be1O3
5
221
44.24
mp-4448
-7.184867
-6.199068
6.55848
other
Y3Al1C1
5
221
116.67
mp-982975
6.53666
8.662961
-2.620711
other
Li1Be1O3
5
221
43.14
mp-7482
8.125043
0.885722
0.839726
other
Rb1Hg1F3
5
221
94.15
mp-1186118
7.088206
8.679918
-1.959484
other
Na1Ca1O3
5
221
91.53
mp-754941
7.839206
11.477307
1.195329
other
Eu1Cr1O3
5
221
58.39
mp-542112
10.069285
9.784669
3.984016
other
Ca1Zr1O3
5
221
71.99
mp-1206922
-6.874492
-5.638272
5.086687
other
Ce3Sn1N1
5
221
123.01