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-754146
8.997232
8.583979
0.291196
other
Rb6Y2O6
14
12
350.58
mp-1385921
1.497676
1.870434
1.368652
other
Ca4Ni2N4
10
12
153.35
mp-1295700
5.977831
10.974545
0.242053
other
Sr8Co4O16
28
12
379.17
mp-777800
5.414253
12.167991
-2.394818
other
Fe4O6F2
12
12
133.1
mp-676516
-4.423121
-3.367256
-3.952239
other
Pr2Pb17Se20
39
12
1,202.68
mp-1208713
8.650622
1.109223
-0.305008
other
Sr3Mn1F12
16
12
261.62
mp-542180
-5.604295
-2.810764
-1.767573
other
Th2Te4I4
10
12
428.73
mp-1218083
-5.180414
-2.260868
2.984731
other
Ta12Te2Se4
18
12
374.82
mp-559388
-3.078428
-2.528117
-4.090651
other
U8Fe1S17
26
12
568.72
mp-634900
10.693004
9.284348
2.013709
other
Sr1U1O4
6
12
77.27
mp-34645
11.711426
11.704904
0.262562
other
Lu8V8O26
42
12
507.66
mp-1225251
-7.163367
-6.660246
2.940282
other
Eu2Ag2Sn2
6
12
157.44
mp-1078000
-5.690047
-0.337233
-5.628897
other
Mn1Cr2S4
7
12
125.65
mp-18819
12.23384
7.600169
-6.921085
other
Ni4P4O14
22
12
228.38
mp-3328
-5.025701
-4.252398
6.487805
other
Ho2Al3Si2
7
12
130.7
mp-752839
11.623757
-0.266432
1.403018
other
Mn6O2F10
18
12
232.53
mp-1174359
6.994981
19.715181
-0.151332
other
Li8Mn6O14
28
12
259.81
mp-771188
7.905786
13.856116
-1.638362
other
Mn13Fe3O32
48
12
572
mp-7295
-5.488992
-0.121365
-5.633029
other
Rb1Cr5S8
14
12
266.58
mp-1209581
8.101976
1.14338
0.944979
other
Rb3Sb1F6
10
12
341.08
mp-1173880
3.807033
19.368299
-1.838125
other
Li4Co2O6
12
12
104.4
mp-1273137
13.210387
11.732094
-0.027583
other
Li2V6O8
16
12
158.99
mp-1025266
-3.017386
0.616452
2.587075
other
Tb2Cr2C3
7
12
94.81
mp-22945
-3.93716
-0.732586
-2.330288
other
Te2Rh2Cl2
6
12
148.07
mp-1222934
-8.178238
-5.110875
3.718666
other
La2Ge2Pd2
6
12
134.4
mp-1191018
-2.562349
0.351891
2.445828
other
Tb8Rh5C12
25
12
373.52
mp-1225252
-7.266472
-6.277439
3.148997
other
Eu2Cu2Sn2
6
12
141.41
mp-1190392
11.331354
12.111046
2.173158
other
Na3Ti6O13
22
12
264.24
mp-1394387
5.778889
12.333103
-1.626995
other
Mg2Ni3O8
13
12
125.26
mp-10481
-6.004784
-3.231995
-2.518134
other
Rb2Ag6Te4
12
12
348.3
mp-1197117
-2.691423
-2.753942
-5.509241
other
Pr4Y11S22
37
12
894.69
mp-1225632
-7.03814
-4.2461
5.537065
other
Er6Al2Ge7
15
12
320.81
mp-583506
9.870556
12.348123
-4.078048
other
Tl2V8O21
31
12
405.81
mp-1214385
2.38483
2.590371
-3.736218
other
Cr1I7N6
14
12
598.87
mp-1215397
-4.607781
-1.887775
-3.150051
other
Zr4Fe1Se8
13
12
307.58
mp-1105312
2.501067
2.680189
-3.619389
other
Co1I7N6
14
12
416.53
mp-1069819
7.358739
2.431363
-1.588286
other
Sn1N2F2
5
12
81.96
mp-1174033
3.99039
19.565632
-1.843105
other
Li6Co4O10
20
12
177.15
mp-1100495
7.128296
19.628872
-0.138183
other
Li9Mn7O16
32
12
297.44
mp-1101460
11.472887
12.550894
0.991003
other
Nb4Cr4O16
24
12
299.93
mp-553991
11.978098
8.111839
0.094319
other
Ti1Ga4O8
13
12
146.04
mp-1204179
-5.616301
-5.499225
0.663103
other
Eu20Mn12Sb26
58
12
1,657.93
mp-541775
11.036204
10.823463
-3.520125
other
Tl2Mo6O18
26
12
397.54
mp-1407010
1.067158
2.113828
1.721229
other
Ca4V2N4
10
12
163.94
mp-780183
12.458507
1.001068
2.516481
other
Fe8O4F12
24
12
293.98
mp-1100357
-3.379674
-1.604528
-5.705171
other
Ca5Sn5S15
25
12
630.18
mp-1412002
5.454829
10.766177
-1.947712
other
Mg2Fe3O8
13
12
137.83
mp-757561
11.927985
11.270718
-1.837906
other
Na9W16O48
73
12
950.34
mp-755559
10.74354
12.402093
2.40679
other
Li2Nb2O6
10
12
125.01
mp-1211367
1.353611
2.297091
-5.204821
other
K1Hg5Cl11
17
12
484.01
mp-754638
10.937145
12.196564
2.282928
other
Na4Ti3O8
15
12
177.89
mp-1174041
5.874776
20.639013
-0.409298
other
Li6Mn4O10
20
12
192.33
mp-5470
-2.473757
-0.395866
-5.360574
other
Ag2P2S6
10
12
222.46
mp-756951
9.802771
10.614302
-0.835144
other
Li2Sb2O6
10
12
116.96
mp-1180661
6.784137
6.631696
-3.69131
other
Li2Pt1O6
9
12
102.29
mp-1226687
-4.531744
-2.912046
-3.576958
other
Cs6Sb10Se18
34
12
1,183.09
mp-1245514
5.139028
2.133271
-2.757634
other
Sb2C3N6
11
12
149.16
mp-1176451
8.369842
14.115472
-1.798547
other
Mn5V1O12
18
12
212.86
mp-1190625
10.611362
12.559432
2.051051
other
Li2Ti6O13
21
12
261.04
mp-1388665
10.675537
9.464718
-0.051835
other
Mg2Sb4O8
14
12
214.2
mp-18893
7.97756
14.202775
-0.816626
other
Ca2Mn3O8
13
12
149.7
mp-31025
0.570952
0.947355
-3.583102
other
Sc5N1Cl8
14
12
289.11
mp-1217669
-7.395967
0.750292
4.90488
other
Tb4Fe29Si5
38
12
499.28
mp-1106178
8.15854
8.437805
-3.347101
other
Al4V2O14
20
12
308.64
mp-756265
8.427315
14.58677
-1.374564
other
Mn4Cu1O8
13
12
153.17
mp-1104183
-4.675002
-2.887226
-3.583685
other
Mn2Bi4Se8
14
12
379.59
mp-581678
-4.187287
-5.307085
5.296807
other
Li2Eu4Si6
12
12
261.8
mp-1190548
11.341643
8.834343
0.91376
other
Na4U4O14
22
12
318.9
mp-651217
8.134807
2.281389
-0.958373
other
As2I4F12
18
12
580.41
mp-780861
5.147552
11.358563
-2.297314
other
Fe8O14F2
24
12
258.28
mp-1442837
10.034924
13.480138
-0.162826
other
Mn4Zn4O8
16
12
188.64
mp-582996
-7.297905
-2.69522
5.984842
other
Pr4Al38Co12
54
12
833.95
mp-773021
10.301301
12.781551
-3.88642
other
Li2V12O29
43
12
528.92
mp-1045861
9.540036
14.316653
0.016919
other
Ca2Mn9O13
24
12
279.22
mp-1196820
-2.655179
-2.825001
-5.550789
other
Pr4Lu11S22
37
12
858.03
mp-1174281
4.044121
19.407204
-1.841292
other
Li6Co4O10
20
12
180.21
mp-1274672
10.413665
6.299277
-4.213192
other
Fe4H4O8
16
12
174.3
mp-1225272
9.110983
10.300384
0.954661
other
Eu2Ta6O18
26
12
363.52
mp-1175375
6.89999
19.847635
-0.217226
other
Li14Mn10O24
48
12
439.97
mp-753116
6.598133
13.219163
-2.335248
other
Co5Sb1O12
18
12
209.05
mp-1221560
-3.619207
-1.509928
-5.436633
other
Na19Zr11S30
60
12
1,240.24
mp-1192888
-3.055935
-2.511467
-4.161212
other
U8Ni1S17
26
12
575.52
mp-22768
-7.564692
-4.460576
5.344905
other
Nd4Ge4Ir2
10
12
241.25
mp-1077928
-3.419013
0.480275
2.764208
other
Tm2Mo2C3
7
12
101.44
mp-554760
10.290868
12.604239
-4.039937
other
V8Hg2O20
30
12
414.99
mp-572596
-3.952265
-1.467109
-5.71387
other
Tl2In6S10
18
12
437.16
mp-28151
-8.823615
-0.148375
2.584421
other
Ho3Ni19B10
32
12
329.13
mp-1237196
8.194564
1.476962
-0.373492
other
Rb3Ru1F12
16
12
341.09
mp-768537
8.581981
8.510003
-0.178385
other
Cs6Tl2O6
14
12
364.77
mp-1220626
-7.94378
-4.95366
4.957624
other
Sc36In5Co13
54
12
1,088.81
mp-1025378
-6.275044
-2.262717
-1.294574
other
V2Fe1Te4
7
12
160.44
mp-1190627
7.04592
7.920031
-3.26284
other
Zn5N4O14
23
12
337.69
mp-690591
6.519549
13.914043
-1.814906
other
Na3Co4O8
15
12
161.08
mp-1173928
6.625528
18.473232
-0.584854
other
Li4Mn2O6
12
12
105.36
mp-1175365
6.907142
19.769026
-0.194817
other
Li7Mn5O12
24
12
221.16
mp-1080534
-1.186152
2.865064
-2.891073
other
Cs2Li3I5
10
12
393.79
mp-1191607
-2.607175
0.326469
2.531567
other
Tm8Rh5C12
25
12
353.97
mp-781605
6.124834
13.134607
-2.812875
other
Co8O12F4
24
12
225.62
mp-1189071
1.741176
2.490357
-4.605877
other
Hg5N1Cl11
17
12
477.79
mp-1214028
7.823681
4.976688
-6.033784
other
Ca2C4O10
16
12
221.59