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-28818
-5.390192
-1.759986
-3.720342
other
Rb1Cr5Se8
14
12
308.83
mp-1191345
7.396059
6.592257
-4.382314
other
Fe3P2O16
21
12
325.09
mp-1077935
-5.195411
-0.046636
-4.344593
other
V2Co1S4
7
12
103.71
mp-1223950
-8.361032
-6.42389
4.786471
other
Ho2Ga2Ag2
6
12
123.57
mp-1080818
-7.582072
-3.544311
5.343039
other
Ho4Co2Ge4
10
12
192.38
mp-1203846
10.977785
11.949604
2.77502
other
Na1Nb13O33
47
12
681.83
mp-753937
11.752668
11.556283
-0.591072
other
Ho2V2O7
11
12
163.09
mp-28656
-5.323544
-2.88496
-4.482154
other
Tl5Cu14Se10
29
12
589.5
mp-1208444
1.433163
2.384956
-4.062239
other
Ta6Tl4Cl18
28
12
740.01
mp-1446433
0.871897
2.275961
1.851571
other
Ca4W2N4
10
12
166.07
mp-1078268
-2.515062
0.713284
2.359236
other
Pr4B2C2
8
12
182.15
mp-1209867
-5.707882
-0.735117
2.425293
other
Ni4Mo8P4
16
12
211.77
mp-1958773
11.950569
13.107121
-2.271608
other
V8Cu6O20
34
12
404.69
mp-35975
12.730162
11.771944
-0.364723
other
Li4Mo2O6
12
12
107.57
mp-1247463
-2.743901
1.154647
1.983773
other
Fe4Se3N2
9
12
130.47
mp-1203419
-3.678559
-1.569223
-5.715279
other
In10Pb6S21
37
12
869.8
mp-632927
10.846026
9.322053
1.867361
other
Ca1U1O4
6
12
72.28
mp-754754
8.097404
13.040561
-0.762063
other
Li8Co5O10
23
12
250.72
mp-1178536
9.198191
8.710822
1.73261
other
Ba8In6O17
31
12
575.77
mp-1104630
-4.826087
0.260826
-4.601498
other
Rb1V5S8
14
12
242.58
mp-1104613
-5.361225
-1.502563
-3.426276
other
Cs1V5Se8
14
12
311.31
mp-997043
7.073492
9.310913
-1.128201
other
Pb2Au2O4
8
12
150.52
mp-1393899
0.765657
2.476897
1.853578
other
V2Zn4N4
10
12
118.41
mp-1262698
9.163726
1.304011
-0.50829
other
Al1Fe3F15
19
12
245.12
mp-763338
13.146145
13.301641
-1.868514
other
V6O10F2
18
12
192.62
mp-1220569
-4.087725
-0.047099
-3.629396
other
Nb4Fe1S8
13
12
235.11
mp-997007
7.925469
10.613606
-0.682215
other
Ag2Pt2O4
8
12
109.9
mp-1232193
-4.828925
-2.93671
-3.860212
other
Mg4In4Se12
20
12
594.89
mp-1222726
-5.752437
-2.621855
-1.615689
other
Li1Ti2Te4
7
12
183.24
mp-754931
12.941864
0.737357
1.990728
other
Fe6O4F8
18
12
216.51
mp-1207272
-7.531656
-3.810317
5.504894
other
Pr4Ge4Ru2
10
12
231.85
mp-755838
6.30746
12.996502
-2.394756
other
Co5Bi1O12
18
12
211.25
mp-1197410
9.283958
7.28125
-2.911265
other
Mg5Si8O30
43
12
652
mp-5090
-4.890488
-1.603935
-3.134302
other
Ti2Fe1Se4
7
12
133.96
mp-1079264
-1.624614
0.741787
-4.024707
other
Nb2S4Br4
10
12
257.25
mp-581681
-5.323713
-5.831022
0.733931
other
Ca42Mn8Sb36
86
12
2,508.81
mp-600449
-5.918486
-4.698521
0.880941
other
Dy2Cu2Sb4
8
12
182.48
mp-1276209
6.370561
13.764697
-2.160567
other
Na2Co6O12
20
12
240.61
mp-1095338
-5.620449
-3.703454
-0.988098
other
Ba2U2Te8
12
12
427.51
mp-753923
9.148165
8.480884
0.212235
other
Cs6Ho2O6
14
12
375.79
mp-1182975
3.354096
3.179821
-3.938796
other
Al2N8Cl8
18
12
335.38
mp-772541
8.795103
13.603518
-1.578201
other
Mn3Te1O8
12
12
156.69
mp-864790
-2.592623
0.763037
2.508571
other
Nd4B2C2
8
12
176.05
mp-1095498
-8.014475
-2.861562
3.658528
other
Ba2Ni5Ge4
11
12
211.33
mp-1175581
6.199281
20.587496
-0.298789
other
Li7Mn5O12
24
12
231.55
mp-632672
9.570651
2.168977
-1.501665
other
Li1H1F2
4
12
29.33
mp-1045970
13.139841
11.571075
-0.113331
other
Mg2V9O13
24
12
256.11
mp-1216901
-8.244556
-4.862127
4.622601
other
Tm6Ga17Pd5
28
12
509.1
mp-1215971
-8.292206
-4.800373
3.659361
other
Y2Ge2Pd2
6
12
117.85
mp-1228081
-6.177029
-7.231763
2.810564
other
Ba2Hg2Pb2
6
12
202.6
mp-1045647
6.307244
13.694999
-2.233809
other
Li1Co4O8
13
12
144.59
mp-1232147
-4.478411
-3.952983
-3.825116
other
Lu4Mg4Se12
20
12
534.28
mp-753674
8.197697
16.494358
-0.405019
other
Li6Mn8O16
30
12
304.32
mp-28501
1.303972
2.287817
-4.223058
other
K4Nb6Cl18
28
12
737.92
mp-1207267
-0.989384
0.980186
-1.529053
other
Pr4Co1I5
10
12
372.95
mp-1174342
4.030183
19.696108
-1.799983
other
Li7Co5O12
24
12
215.25
mp-2222893
12.694556
10.642823
2.021251
other
Mg1Nb2O5
8
12
104.47
mp-1391277
5.84435
12.49404
-1.550329
other
Zn2Ni3O8
13
12
129.89
mp-680468
-8.106318
-4.669228
3.523054
other
Tb6In23Pt12
41
12
888.29
mp-32018
10.863393
8.017625
-7.272942
other
Mn2P8O24
34
12
523.57
mp-1219357
-8.628946
0.056029
4.153574
other
Sm2Co17N2
21
12
252.29
mp-1025239
-6.485627
-2.478627
-1.380193
other
Cr2Co1Te4
7
12
158.75
mp-1217608
12.672073
8.933007
2.55728
other
Zr36V36O8
80
12
1,455.19
mp-1217147
-6.329835
-3.431041
0.755247
other
Tl1Co16Sb48
65
12
1,512.61
mp-1201342
-2.685668
-2.822266
-5.551733
other
Nd4Lu11S22
37
12
853.45
mp-1394183
1.012776
2.433706
1.747795
other
Mn2Zn4N4
10
12
128.95
mp-27300
-0.578601
1.308153
-4.530132
other
Rb2Au2Br6
10
12
341.65
mp-20104
-3.786387
-1.589171
-5.400902
other
Rb2Ag6S4
12
12
352.72
mp-8248
9.84342
8.715496
-1.540516
other
Rb4Te2O6
12
12
280.49
mp-1078672
-8.372613
-5.624651
4.296456
other
Ce4Cd2Cu4
10
12
225.79
mp-8090
11.877318
7.548812
-6.855586
other
Cu2P2O7
11
12
120.14
mp-1201580
-5.993137
-1.354167
0.881582
other
Yb5Ni19P12
36
12
462.91
mp-1104307
11.283936
8.30689
2.701291
original
La6Sb2O6
14
12
310.05
mp-761251
10.459409
0.964318
-1.337602
other
Co6O4F8
18
12
201.58
mp-582175
-2.42748
-1.638708
2.189671
other
La8Si8I6
22
12
660.35
mp-1228159
-4.544825
-2.842366
-3.373919
other
Ba4Nb3Se12
19
12
535.47
mp-675920
-3.982698
-0.130868
-4.461009
other
Ti6Ag1S12
19
12
384.31
mp-753493
11.544891
8.517873
2.12021
other
Ce1U5O12
18
12
243.42
mp-861911
-1.690743
-0.41473
-4.192998
other
Sb4S4O2
10
12
228.2
mp-1211500
-0.662526
0.848258
-1.599595
other
La10Al5I8
23
12
797.26
mp-1207483
8.958443
2.821707
1.148015
other
Zr3Fe1F6
10
12
477.29
mp-1246147
0.135944
2.671868
1.918708
other
Mn2Fe9N8
19
12
184.7
mp-1175383
4.209228
19.491474
-1.827021
other
Li9Co7O16
32
12
284.97
mp-1222321
-8.378249
-6.423185
4.688175
other
Lu2Ga2Ag2
6
12
123.37
mp-779987
11.815931
1.313384
2.648865
other
Fe6O2F10
18
12
222.14
mp-1400520
1.330498
1.916374
1.470002
other
Ca4Co2N4
10
12
152.84
mp-559554
10.237835
9.387283
-1.681725
other
Li4Te2O6
12
12
312.7
mp-1195795
-2.693275
-2.712154
-5.474109
other
La4Y11S22
37
12
902.52
mp-1180705
7.435925
13.166957
-1.642862
other
Mn2Ni2O6
10
12
113.17
mp-1078249
-5.259284
-1.749589
-2.827904
other
Co1Rh2Se4
7
12
126.06
mp-1224652
-6.328892
-3.423499
0.76144
other
In1Co20Sb60
81
12
1,892.41
mp-569894
-0.589427
1.171409
-2.50872
other
La4B4Cl5
13
12
285.81
mp-1175515
4.167635
19.520189
-1.813461
other
Li9Co7O16
32
12
287.36
mp-1232319
9.39395
13.201619
0.729669
other
Er2Mn4O8
14
12
183.19
mp-27927
11.201815
11.395283
2.411918
other
Nb2Al2O8
12
12
143.02
mp-1218045
12.607657
10.87186
2.02729
other
Ta4Ti2O12
18
12
205.94
mp-1070400
-6.044563
-2.559303
0.598726
other
Ba1Ni2As2
5
12
101.01
mp-1174546
6.203377
20.215479
-0.390252
other
Li5Mn3O8
16
12
146.17
mp-4300
8.107217
8.079562
-2.458626
original
Yb2Si2O7
11
12
153.01
mp-1245732
1.069696
2.402656
1.57346
other
Li6Ir3N6
15
12
148.49