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-773171
13.806051
7.511062
-7.144546
other
Ti3Mn3P6O24
36
146
463.81
mp-1019535
12.884866
6.270085
-0.221584
other
Ba1Al2Si2O8
13
147
197.02
mp-559316
10.079905
4.614178
-7.048403
other
Cs4V4S8O32
48
147
773.22
mp-1020011
2.34463
2.472384
1.032801
other
Li14P2N6O3
25
147
227.02
mp-21231
4.457402
2.303239
-3.192471
other
Fe1Sn2C6N6
15
147
252.9
mp-697022
12.547775
5.422059
-1.885683
other
Ca12Si4H12O26
54
147
668.64
mp-1225647
9.563562
12.31864
1.301578
other
Dy2Ti12Cu9O36
59
147
619.42
mp-1196546
9.416479
5.121048
-6.207306
other
Ag12Ge6S36O126
180
147
2,544.84
mp-559608
13.01539
6.230173
-0.565733
other
K12Nd4Si28O68
112
147
1,688.99
mp-18150
13.224072
5.44652
-6.121095
other
K9Lu3P6O24
42
147
601.45
mp-560993
12.372377
7.354217
-0.016818
other
Ca1Al12Si4O27
44
147
402.37
mp-608014
11.3815
7.315812
-1.560792
other
K2Ge2Pb2O7
13
147
243.25
mp-1227747
13.465139
5.554343
-6.079142
other
Ca10P6S1O24
41
147
550.36
mp-558886
6.173848
5.000961
-4.487357
other
K6Ce3N18O54
81
147
1,038.78
mp-6023
-3.446783
-1.298442
-5.43215
other
Tl2Sn1As2S6
11
147
296.99
mp-556703
11.965838
6.680707
0.14732
other
Ba9Mg3Si6O24
42
147
619.51
mp-859109
11.857009
7.585362
-7.782869
other
Li9Fe3P6O24
42
147
457.64
mp-21239
4.248754
2.267908
-3.227935
other
Fe1Pb2C6N6
15
147
256.93
mp-1095445
11.257418
11.02388
-4.039329
original
Cs1Fe1Mo2O8
12
147
234.65
mp-1215056
10.173562
4.593089
-7.166047
other
Ba3Mn15S18O72
108
147
1,480.17
mp-10776
-3.39801
-1.22897
-5.392086
other
K2Sn1As2S6
11
147
294.99
mp-757095
9.493898
8.056726
-5.749986
other
Li2Fe1P2O8
13
147
154.05
mp-762289
14.515563
8.306938
-5.47709
other
Li2P2W1O8
13
147
161.26
mp-17447
13.508079
5.743043
-5.859979
other
Sr10P6S1O24
41
147
602.46
mp-985697
12.8003
6.540495
-0.534061
other
Ba3Si6N2O12
23
147
329.56
mp-690647
8.873379
4.86576
-4.084736
other
Ni2H24Br4O28
58
147
606
mp-1220529
9.503476
12.249215
1.350075
other
Nd2Ti12Cu9O36
59
147
622.48
mp-556097
8.438823
11.942562
0.180728
other
Na1Li2Ru6O12
21
147
219.42
mp-1211039
7.146711
7.784172
-3.515064
other
Mn3Si3O18F18
42
147
586.76
mp-1226218
9.588522
12.323709
1.30767
other
Gd2Ti12Cu9O36
59
147
616.82
mp-1222714
9.652671
12.32976
1.31545
other
Lu2Ti12Cu9O36
59
147
613.62
mp-560628
9.769745
5.196965
-6.977098
other
Cs4Fe4S8O32
48
147
776.89
mp-557650
3.830202
2.923393
0.467023
other
Sr3P6N8O6
23
147
287.21
mp-1198966
9.531138
5.152476
-6.231764
other
Si6Ag12S36O126
180
147
2,458.63
mp-865961
-4.382221
-2.580422
-3.573259
other
K3Bi1As6Se12
22
147
674.57
mp-1226871
9.185832
12.257291
0.983268
other
Eu2Ti12Cu9O36
59
147
616.49
mp-542789
1.703179
2.475148
1.283671
other
Li14Cr2N8O1
25
147
240.73
mp-643359
8.50175
1.246873
-3.904433
other
Rb2Sn1H12N6
21
147
228.48
mp-772721
11.727565
7.295135
-1.394831
other
Li2Si12Bi18O52
84
147
1,157.28
mp-554822
12.242645
6.893621
-6.724563
other
Cs1Sb1P2O8
12
147
196.33
mp-759099
13.848901
7.286389
-6.460726
other
Li9Sb3P6O24
42
147
479.03
mp-757486
13.282186
7.686948
-7.543095
other
Li9Cr3P6O24
42
147
451.58
mp-1219316
9.526444
12.273389
1.329778
other
Sm2Ti12Cu9O36
59
147
620.87
mp-505233
8.448983
1.197502
-3.877258
other
Cs2Sn1H12N6
21
147
257.35
mp-760377
14.526982
7.626139
-5.378245
other
Li2Nb1P2O8
13
147
163.24
mp-1204525
9.589329
4.882176
-6.402749
other
K4Sn2S12O42
60
147
980.18
mp-1217434
9.796478
12.304235
1.24674
other
Ti12Cu9Bi2O36
59
147
624.33
mp-1202012
9.666382
4.83776
-6.502734
other
Na12Sn6S36O126
180
147
2,894.44
mp-555534
11.498957
11.070307
-3.619008
other
K8Mn2Mo8O30
48
147
808.37
mp-1218492
10.289124
8.60938
3.192939
other
Sr1Ca2Sc6O12
21
147
260.6
mp-1104879
10.240993
3.951632
-4.075735
other
Li2H6Pt1O6
15
147
126.61
mp-17035
13.45502
5.295153
-6.385997
other
K9Sc3P6O24
42
147
612.53
mp-1193049
8.067477
5.343916
-3.65567
other
Cs2Sn1H6O12
21
147
273.02
mp-1202597
8.088494
6.485861
-5.364127
other
Na18Fe6S18O90
132
147
1,826.69
mp-752892
13.652837
7.855748
-0.931477
other
Li4Fe4Si4O14
26
147
405.01
mp-1216233
9.55634
12.310434
1.286171
other
Y2Ti12Cu9O36
59
147
615.69
mp-560765
12.789745
10.850398
2.366036
other
Rb4Nb35Al2O70
111
147
1,473.01
mp-554634
10.148251
4.590237
-7.196893
other
Sr3Mn15S18O72
108
147
1,448.06
mp-1205100
8.408322
6.107835
-5.412514
other
Sn2S12N4O42
60
147
1,056.26
mp-1207391
10.11235
7.364688
-6.003545
other
Zr2P4H2O14
22
147
316.88
mp-763559
12.398463
8.829827
-7.912184
other
Li8V4P8O32
52
147
602.7
mp-563010
11.235678
11.039678
-4.044636
other
Rb2Fe2Mo4O16
24
147
448.01
mp-558292
10.068033
4.669832
-7.133115
other
Mn15Pb3S18O72
108
147
1,455.88
mp-1212266
6.200161
4.970734
-4.549792
other
K6Th3N18O54
81
147
1,137.41
mp-557690
14.320944
8.533809
-4.703974
other
Si6Mo12P18O75
111
147
1,442.19
mp-684028
12.895938
6.503925
-6.513658
other
Li9Bi3P6O24
42
147
477.93
mp-1020711
9.681137
4.782585
-6.510765
other
Rb4Si2S12O42
60
147
953.17
mp-1182737
9.71184
4.79997
-6.547322
other
Cs12Si6S36O126
180
147
3,060.36
mp-1216965
9.537216
12.328548
1.28237
other
Tm2Ti12Cu9O36
59
147
615.07
mp-746778
6.678839
3.590936
-4.51049
other
Mn8H8C24O32
72
147
1,055.45
mp-1197599
9.440043
5.119624
-6.223311
other
Ag12Sn6S36O126
180
147
2,653.43
mp-1019775
9.555797
4.877167
-6.380794
other
K4Ge2S12O42
60
147
939.13
mp-17516
13.49073
5.725298
-5.955155
other
Ca10P6Se1O24
41
147
551.05
mp-583981
13.695299
8.456901
-6.617066
other
Li2Mo1P2O8
13
147
157.79
mp-632760
10.348848
4.191015
-3.994052
other
Na2H6Pt1O6
15
147
140
mp-1225949
9.596933
12.323061
1.282547
other
Er2Ti12Cu9O36
59
147
617.06
mp-1224566
10.123763
9.29584
-0.908872
other
K6Sb14Se6O25
51
147
1,083.89
mp-643013
13.521599
5.576986
-6.774776
other
Zr1P2H2O6
11
147
148.24
mp-1216087
9.235685
12.084275
0.931745
other
Yb2Ti12Cu9O36
59
147
615.76
mp-758988
10.560098
7.973804
-6.847053
other
Li2Cr1P2O8
13
147
152.16
mp-1223853
13.93446
4.971972
-7.137379
other
K2Zr1P2O8
13
147
217.53
mp-1104244
12.653451
7.074475
-6.794892
other
Ba1Co2P2O8
13
147
206.2
mp-16990
13.12244
5.767782
-5.446536
other
Ba10P6S1O24
41
147
725.83
mp-1224439
9.5816
12.31129
1.327622
other
Ho2Ti12Cu9O36
59
147
615.92
mp-1021330
9.58222
4.814935
-6.457581
other
Rb4Ge2S12O42
60
147
969.1
mp-556741
8.431346
1.079083
1.720543
other
K2Na2Th2F12
18
147
267.74
mp-1019524
3.78957
2.964534
0.545454
other
Ba3P6N8O6
23
147
302.84
mp-26673
12.566511
8.80889
-7.876507
other
Li6V3P6O24
39
147
450.54
mp-1211946
11.283923
4.012944
-7.692942
other
Mg15Pb3S18O72
108
147
1,351.01
mp-562390
11.297312
10.94256
-3.706536
other
K8Co2Mo8O30
48
147
790.39
mp-1198640
6.199384
5.567366
-4.304766
other
Mg1Hg6N6O26
39
147
681.85
mp-1205906
7.677522
7.466376
-3.56081
other
K2Mn2I2O12
18
149
279.13
mp-2217076
10.966963
10.454543
-0.033486
other
Mg1Mn1Sb2O6
10
149
136.3
mp-549697
8.29919
7.068429
-3.603252
other
Rb1Ge1I1O6
9
149
147.82
mp-1211288
10.762736
10.299694
0.560219
other
La1Ti1Te1O6
9
149
128.3
mp-550959
7.500079
7.846727
-3.369109
other
K1Ni1I1O6
9
149
133.56
mp-2217494
10.219015
9.761971
-0.25931
other
Mg1Hg1Sb2O6
10
149
145.79
mp-1222719
10.225389
10.604153
2.061242
other
La1Ti1Sb1O6
9
149
125.74
mp-2239945
8.368968
11.227551
0.557418
other
Sr1Mg1Ru2O6
10
149
129.84
mp-1222773
-2.561174
-0.32437
-5.220105
other
Li2Fe1P2S6
11
149
195