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-976968
7.159687
10.055552
-1.712726
other
Na1Pd1O3
5
221
63.58
mp-1184044
6.988615
11.146311
-1.320106
other
Cu1Hg1O3
5
221
56.26
mp-754524
12.138304
9.895969
2.162302
other
Ce1Ti1O3
5
221
61.29
mp-1187542
11.376933
8.886178
2.709337
other
Yb1Pu1O3
5
221
79.85
mp-1183997
7.439522
8.52122
-0.842357
other
Cs1Th1O3
5
221
95.78
mp-1432347
7.083717
10.714407
1.112062
other
Y1Cu1O3
5
221
54.1
mp-1186755
12.170789
10.053085
2.217908
other
Sr1Ta1O3
5
221
67.26
mp-568005
-0.390382
1.087735
-4.637789
original
Cs1Yb1Br3
5
221
188.85
mp-976229
6.744764
9.504955
-1.678432
other
K1Ag1O3
5
221
73.7
mp-582028
-6.300532
-0.065369
3.471923
other
Mn3Rh1N1
5
221
59.38
mp-975236
7.647737
10.230004
-1.143777
other
Rb1Pt1O3
5
221
69.18
mp-1186801
11.539677
9.044866
2.425085
other
Pu1Sb1O3
5
221
80.38
mp-1017591
8.015094
10.651628
1.150386
other
Ba1Ru1O3
5
221
67.1
mp-9833
7.127659
8.457315
-1.463058
other
Pr1Ga1O3
5
221
97.54
mp-3163
9.164972
9.279005
1.310812
other
Ba1Sn1O3
5
221
71.14
mp-1206996
12.393306
9.087447
2.385376
other
La3Al1O1
5
221
127.34
mp-973579
5.98063
11.108529
-1.238614
other
Fe1Pb1O3
5
221
61.51
mp-972985
7.214097
9.969534
-1.695991
other
K1Pd1O3
5
221
67.42
mp-510381
-2.169903
-8.425924
1.803362
other
Fe3Ni1N1
5
221
79
mp-1207079
3.19578
-0.784881
-2.308778
original
Sr1H3Pd1
5
221
56.1
mp-20550
-6.118758
-6.745938
5.453689
other
Ce3Pb1C1
5
221
214.51
mp-1016851
8.478502
11.231216
-0.008682
other
Hg1Ru1O3
5
221
61.36
mp-1187516
10.69061
8.633502
0.777833
other
Yb1Si1O3
5
221
45.16
mp-5323
11.118578
8.77506
2.388905
other
Ce1Al1O3
5
221
53.24
mp-5438
-9.140032
-1.738869
3.881149
other
Tm1B1Rh3
5
221
71.52
mp-10271
-7.531039
0.210866
3.400114
other
Zn1Co3C1
5
221
51.77
mp-1214111
-8.410655
-4.578469
2.609165
other
Ce8In1Pd24
33
221
614.62
mp-1013558
-4.666475
-6.042567
1.185253
other
Ca3Bi1P1
5
221
159
mp-1187189
11.171442
11.798146
2.8213
other
Ta1Ag1O3
5
221
63.97
mp-973156
12.448782
9.244894
0.625429
other
Sc1As1O3
5
221
61.26
mp-978851
10.216405
8.752977
-0.972234
other
Sr1As1O3
5
221
62.8
mp-1016874
11.588213
8.122236
-1.246164
other
Si1Hg1O3
5
221
49.22
mp-7752
-5.261222
-6.380614
1.574876
other
Sr3Sb1N1
5
221
140.2
mp-1018647
2.960037
-0.603863
-1.886547
other
Yb1Ni1H3
5
221
41.8
mp-1013544
-4.778101
-5.806235
0.716584
other
Ca3Sb1As1
5
221
165.47
mp-1099245
16.267853
9.710484
5.172919
other
Mg3Fe1O4
8
221
78.45
mp-31057
-7.52221
-6.318892
5.763634
other
Ho3In1N1
5
221
108.01
mp-1183298
11.776811
10.319546
0.809919
other
Ba1Re1O3
5
221
67.16
mp-984722
6.706147
8.797794
-2.49047
other
Be1Ga1O3
5
221
41.51
mp-3000
-4.754285
-0.095259
3.355082
other
Cr3Ga1N1
5
221
56.15
mp-1185564
7.083268
8.711435
-1.7531
other
Cs1Yb1O3
5
221
97.42
mp-1017582
-8.197726
-3.619792
2.40981
other
La1Pt3C1
5
221
85.58
mp-1185311
7.735926
11.133351
-2.900244
other
Li1Cr1O3
5
221
49.79
mp-771055
10.131073
9.633578
4.050302
other
Eu1Zr1O3
5
221
73.95
mp-558749
9.360914
1.005738
1.47616
other
Rb1Mn1F3
5
221
75.82
mp-19777
-6.254759
-7.068897
4.43697
other
Yb3In1C1
5
221
129.8
mp-10275
-7.085318
-6.9803
6.869644
other
Er3In1C1
5
221
169.45
mp-972021
6.717557
8.644474
-1.190613
other
Sr1In1O3
5
221
74.85
mp-580539
-7.435188
-6.802221
6.854627
other
Gd3Al1C1
5
221
120.58
mp-1186471
6.904597
8.574994
-1.530779
other
Pr1Pb1O3
5
221
93.41
mp-5229
9.574846
10.993991
3.36923
other
Sr1Ti1O3
5
221
59.9
mp-1068746
-8.580746
-4.757243
1.915466
other
Tl1H1Pd3
5
221
68.82
mp-19322
12.226713
10.53843
0.546959
other
Ba1Mo1O3
5
221
66.35
mp-1186329
11.621886
10.110877
1.116253
other
Np1Ru1O3
5
221
62.22
mp-10718
-7.183007
-6.916796
6.959494
other
Sm3Sn1C1
5
221
188.78
mp-1187529
9.496437
9.773265
-1.677522
other
Tl1Si1O3
5
221
50.85
mp-20999
-7.131964
-6.17397
5.726778
other
La3In1N1
5
221
135.63
mp-1024038
13.487171
9.408214
3.117974
other
Ce1Mg3O4
8
221
102.58
mp-1187143
6.326285
8.637271
-2.437484
other
Sr1Be1O3
5
221
52.06
mp-1013555
-4.893694
-6.059299
1.619064
other
Sr3As1N1
5
221
132.31
mp-23818
3.355622
-0.703317
-2.472646
other
Ba1Li1H3
5
221
64.55
mp-1187494
7.440899
7.765661
-2.387793
other
Tl1B1O3
5
221
44.17
mp-1184219
6.994503
8.624746
-1.391486
other
Er1Tl1O3
5
221
85.53
mp-1186404
12.366424
9.587833
1.369868
other
Pa1Os1O3
5
221
62.13
mp-1183417
6.417107
8.560625
-2.623888
other
Be1Ag1O3
5
221
45.44
mp-647209
11.425251
6.782111
-6.557619
other
Ga24P24O102
150
226
3,652.57
mp-13486
-9.681869
-4.630863
3.920136
other
La2Co2Cu24
28
226
383.18
mp-510349
8.598854
8.842505
-1.272102
other
Ag26Os2O12
40
226
602.5
mp-1192952
-9.7034
-4.779337
3.893352
other
La2Be2Cu24
28
226
374.95
mp-2646923
5.342528
-0.453852
-2.933124
other
Lu8B24H96
128
226
1,247.76
mp-1204577
7.933857
2.600278
-2.211501
other
Te24C96F192
312
228
5,230.08
mp-1196489
1.541397
2.27017
-3.527894
other
Te8Br48N16
72
228
4,044.61
mp-1189966
-7.858171
-4.597258
5.66818
other
Dy4Ga12Ni1
17
229
306.73
mp-1204867
-9.09726
-1.057647
2.652811
other
Ho11Ni60C6
77
229
962.54
mp-1190620
-8.972645
-1.957809
3.066803
other
Nd6Ga4Ni12
22
229
371.94
mp-1188761
-7.330441
-1.917763
4.61783
other
Sc4Ge6Os7
17
229
273.79
mp-641564
-7.504308
-4.047575
5.117585
other
U4Ga12Pd1
17
229
320.43
mp-542496
-7.747608
-6.926323
2.517149
other
Ca6Ag16N1
23
229
469.31
mp-1181515
-8.165133
-2.965902
4.172908
other
Dy4Ge6Rh7
17
229
290.55
mp-697126
3.107231
-0.87843
-2.048424
other
Ca4H12Rh3
19
229
192.16
mp-1191000
-8.256115
-1.689046
3.298314
other
Eu6Si4Ni12
22
229
351.33
mp-570928
-7.511418
-3.937914
5.06848
other
U4Ga12Rh1
17
229
319.48
mp-505683
-6.094981
-2.408289
1.956717
other
U4As6Ru7
17
229
291.15
mp-1191275
-8.459914
-1.799706
3.259712
other
Ho6Si4Ni12
22
229
333.18
mp-1192110
-8.477686
-1.760888
3.199286
other
Tm6Si4Ni12
22
229
328.73
mp-1207795
-8.385524
-1.82473
3.243109
other
Y6Si4Ni12
22
229
338.39
mp-27901
1.401072
2.559692
-5.904862
other
K4Mn1Cl6
11
229
363.22
mp-1191719
-8.963917
-1.996285
3.030473
other
Pr6Ga4Ni12
22
229
369.21
mp-573541
-8.96478
-1.851352
3.038268
other
Sm6Al4Ni12
22
229
360.02
mp-504614
-9.021418
-1.943388
2.893894
other
Sm6Ga4Ni12
22
229
355.24
mp-1105803
-8.073154
-2.856382
4.373352
other
Dy4Ge6Ir7
17
229
291.39
mp-1181425
-7.856377
-4.545989
5.537932
other
Er4Ga12Pd1
17
229
307.68
mp-1189287
-7.32491
-2.109992
4.70512
other
Er4Ge6Os7
17
229
285.22
mp-1190231
-7.836773
-4.558304
5.601118
other
Lu4Ga12Pd1
17
229
302.07
mp-30791
-8.94869
-1.783775
3.257954
other
Ho6Al4Ni12
22
229
343.56
mp-504442
-5.574316
-1.64649
4.46028
other
U4Re7Si6
17
229
278.72
mp-1192010
-8.990197
-1.918454
3.129644
other
Tb6Ga4Ni12
22
229
355.74
mp-1191954
-8.886709
-1.894963
3.149531
other
Y6Ga4Ni12
22
229
353.35
mp-1189923
-8.057858
-2.870166
4.344735
other
Tm4Ge6Ir7
17
229
285.53
mp-20246
-7.87084
-2.19564
3.486891
other
Mn4Ge6Ir7
17
229
263.45