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-1094085
-7.300399
-6.106925
5.640615
other
Nd3Sn1N1
5
221
125
mp-1184949
6.841036
8.520901
-1.540385
other
K1Tm1O3
5
221
85.91
mp-1183415
7.482739
8.729658
-2.188211
other
Be1Ge1O3
5
221
43.05
mp-1186133
7.643108
8.539678
-2.786318
other
Na1Ge1O3
5
221
53.36
mp-11775
11.528008
8.796459
1.846954
other
Rb1U1O3
5
221
81.09
mp-1206877
-7.636318
-6.475903
6.462105
other
Lu3Pb1C1
5
221
107.29
mp-1024033
14.529747
9.518331
3.984427
other
Mg3Sn1O4
8
221
96.45
mp-972222
12.440877
10.089928
1.202908
other
Ta1Be1O3
5
221
40.06
mp-20992
-6.870767
-5.837341
5.355587
other
Ce3In1C1
5
221
128.48
mp-1016881
9.641232
9.552116
-0.32288
other
Cd1Sn1O3
5
221
66.79
mp-1185550
6.988403
8.80127
-1.3772
other
Cs1Eu1O3
5
221
97.5
mp-1183539
7.227018
8.405966
-0.6185
other
Ca1Ho1O3
5
221
80.14
mp-1213827
-8.400381
-4.560873
2.562113
other
Ce8Ge1Pd24
33
221
603.61
mp-998227
7.502022
8.508175
-1.090385
other
K1Hf1O3
5
221
72.93
mp-1013585
-5.209587
-6.388584
0.980014
other
Sr3Bi1Sb1
5
221
234.19
mp-1185551
6.919122
8.496409
-1.539319
other
Cs1Tb1O3
5
221
96.95
mp-20501
-7.175329
-7.076257
7.008329
other
Gd3In1C1
5
221
181.36
mp-1079940
9.416849
8.558393
1.962742
other
Sr3Ca1O4
8
221
134.9
mp-979294
6.914748
9.639186
-1.369876
other
Sr1Ag1O3
5
221
69.44
mp-2647024
-0.200678
0.676892
-4.152394
other
Cs1U1Br3
5
221
193.71
mp-2647102
7.780523
10.907975
0.738855
other
Pu1Cu1O3
5
221
55.88
mp-1068786
-7.396686
-0.145452
3.447289
other
In1Co3N1
5
221
56.05
mp-1016826
8.925348
10.438495
-0.524294
other
Mg1Ir1O3
5
221
60.3
mp-1147701
9.386416
0.687353
0.105504
other
Cu3N1F3
7
221
74.43
mp-1187515
9.080924
9.032558
0.972164
other
Yb1Sn1O3
5
221
65.53
mp-1013531
-4.680111
-7.10684
2.089067
other
Sr3Bi1N1
5
221
241.8
mp-1185009
8.601465
10.845638
0.231447
other
K1Os1O3
5
221
60.75
mp-4551
9.825773
9.604367
4.095016
other
Sr1Hf1O3
5
221
71.02
mp-1187191
7.570568
8.383088
-0.881539
other
Sr1Sc1O3
5
221
70.95
mp-3834
9.708209
9.60829
3.859566
other
Ba1Zr1O3
5
221
74.75
mp-1185612
6.637146
8.697
-2.323265
other
Mg1Zn1O3
5
221
55.76
mp-1183284
6.66136
8.808834
-1.948232
other
Ba1Li1O3
5
221
68.26
mp-1187364
12.609733
9.316464
0.729022
other
Tb1Si1O3
5
221
51.82
mp-504715
7.07712
8.418653
-1.329154
other
Ba1Ti1O3
5
221
100.49
mp-975385
6.817568
8.22376
-2.667618
other
Rb1B1O3
5
221
50.39
mp-1207153
-7.482841
-6.794262
6.736147
other
Gd3Ga1C1
5
221
118.24
mp-1213829
-8.411106
-4.560859
2.581655
other
Ce8Al1Pd24
33
221
603.19
mp-977455
11.320103
9.089098
2.990308
other
Pa1Ag1O3
5
221
80.34
mp-10600
-7.085191
-6.539015
6.412344
other
La3Al1C1
5
221
141.02
mp-20990
-7.32878
-6.328704
6.017033
other
Pr3In1N1
5
221
131.01
mp-978842
6.955529
8.63258
-1.481974
other
Sr1Ca1O3
5
221
83.82
mp-623448
-6.961114
-6.74514
6.040457
other
Nd3In1N1
5
221
228.32
mp-10716
-8.420747
-1.746969
3.006011
other
Yb1Rh3C1
5
221
70.73
mp-1206121
-5.903389
-0.603911
3.608203
other
Dy1Ru3C1
5
221
70.68
mp-1183286
7.171903
8.400058
-0.490589
other
Ba1Dy1O3
5
221
86.83
mp-1016877
8.134706
10.694767
-0.563433
other
Hg1Rh1O3
5
221
62.6
mp-1214407
6.945516
8.668809
-2.386992
other
Ba1B1O3
5
221
53.75
mp-10198
-6.304081
-0.022489
3.581037
other
Mn3Pd1N1
5
221
61.3
mp-1183976
9.546206
9.294693
-2.069823
other
Cs1Te1O3
5
221
77.31
mp-1946459
-0.587109
1.367008
-4.718221
other
Cs1Ag1Br3
5
221
159.17
mp-1207180
11.817071
9.340469
1.065388
other
Ho1Sb1O3
5
221
76.57
mp-972296
12.179116
9.81214
1.315758
other
Zr1Os1O3
5
221
60.53
mp-1013545
-4.999628
-6.025129
0.86533
other
Ca3Bi1As1
5
221
169.11
mp-974581
12.062023
10.267313
0.355112
other
Re1Bi1O3
5
221
65.13
mp-1183719
9.071989
10.737583
-0.709069
other
Cr1Rh1O3
5
221
60.1
mp-865181
10.923828
8.876227
0.526338
other
Eu1Ge1O3
5
221
56.59
mp-1147577
10.191705
11.008615
1.572948
other
Gd1Cr1O3
5
221
58.04
mp-1183405
6.379331
8.822344
-2.222583
other
Ba1Zn1O3
5
221
69.68
mp-1013550
-4.485511
-5.822273
1.007702
original
Ca3Sb1P1
5
221
155.93
mp-1094118
-6.058692
-0.186049
3.45413
other
Mn3In1C1
5
221
61.57
mp-1001571
5.41589
11.098295
-0.864798
other
Ca1Fe1O3
5
221
56.47
mp-1017563
-7.87253
-3.384858
2.29795
other
Ga1Pt3C1
5
221
74.43
mp-9960
-7.286751
-6.54658
6.299355
other
Y3Tl1C1
5
221
118.35
mp-1030618
13.130444
9.477881
2.214168
other
Mg3Zr1O4
8
221
88.05
mp-8578
-3.257067
-0.44409
3.309274
original
Sc3In1C1
5
221
94.23
mp-977100
12.268421
10.894804
-1.087249
other
Ni1Mo1O3
5
221
60.59
mp-1185882
6.719431
8.904819
-1.952967
other
Mg1Hg1O3
5
221
62.73
mp-1206130
-6.88252
0.610924
3.95882
other
Cr1Fe3N1
5
221
55.28
mp-1184162
11.080861
9.90093
0.622948
other
Er1Ir1O3
5
221
62.23
mp-16290
-8.117593
-0.576505
2.299634
other
Zn1Ni3C1
5
221
53.42
mp-1183911
8.564976
8.449684
-2.459129
other
Cs1As1O3
5
221
67.7
mp-1185065
11.907826
9.487154
2.455629
other
La1Zr1O3
5
221
73.76
mp-1209203
1.70523
2.653098
-0.022833
other
Rb1Cd1N3
5
221
96.56
mp-1184940
9.958182
9.354469
-1.792978
other
K1Te1O3
5
221
69.65
mp-1413511
6.225574
8.909176
-0.865855
other
Al1Bi1O3
5
221
78.11
mp-1208728
8.283528
1.967774
-0.719436
other
Sr4As8F48
60
221
982.59
mp-1183168
11.850766
10.364251
1.402246
other
Ac1V1O3
5
221
62.47
mp-1040464
8.789063
10.877021
0.197313
other
Na1Os1O3
5
221
58.26
mp-1147731
1.530676
2.093852
1.338907
other
In1Cu3N3
7
221
81.55
mp-1207084
-7.950557
-0.624132
2.249122
other
Al1Ni3C1
5
221
53.21
mp-567703
-7.006006
0.85083
3.821485
other
Fe3Ni1N1
5
221
53.76
mp-1186110
11.583735
8.902204
2.297253
other
Np1Al1O3
5
221
53.41
mp-971706
6.863546
9.171992
-1.296916
other
Zn1Bi1O3
5
221
59.84
mp-545712
11.676783
9.053269
1.908783
other
Li1U1O3
5
221
78.2
mp-982885
7.050096
8.601225
-1.885649
other
K1Ca1O3
5
221
95.36
mp-10113
-8.577446
-2.2904
3.903789
other
Sc1B1Ir3
5
221
70.3
mp-31058
-7.529264
-6.051201
5.575129
other
Er3In1N1
5
221
105.86
mp-1096800
9.996821
8.621123
3.221931
other
La1Sc1O3
5
221
67.86
mp-1183715
8.504163
10.499981
-0.616082
other
Co1Rh1O3
5
221
59.04
mp-1099250
14.905312
9.737637
3.560688
other
Mg3Mo1O4
8
221
89.09
mp-1183934
7.086782
8.749484
-1.479501
other
Cs1Ba1O3
5
221
127.33
mp-1183043
12.502237
9.216885
1.010581
other
Zr1Si1O3
5
221
49.17
mp-1097006
3.47118
-0.706804
-2.431798
other
K1Al1H3
5
221
63.12
mp-754678
12.018251
9.94714
2.294303
other
Ba1Ta1O3
5
221
70.49
mp-1103513
-4.105006
-8.504637
6.808578
other
Li3Mg8Si4
15
221
284.37
mp-1016846
10.533261
11.677137
2.176323
other
Ti1Cd1O3
5
221
58.73
mp-1076732
7.219579
10.896945
-2.46994
other
K1Cr1O3
5
221
57.72
mp-1016841
7.871795
8.765045
0.022119
other
Hf1Hg1O3
5
221
70.07
mp-1013709
-4.299969
-6.680669
2.044502
other
Ba3As1N1
5
221
236.79
mp-1207184
11.773227
9.270359
1.063087
other
Dy1Sb1O3
5
221
76.66