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-18204
7.192013
8.680684
-1.33174
other
Ba5Yb8Zn4O21
38
87
544.02
mp-21348
9.053071
9.865638
3.142543
other
Ba2Eu1Ta1O6
10
87
160.33
mp-10335
9.439358
9.511296
-0.096778
other
Ba2Cu1Te1O6
10
87
136.88
mp-1218746
8.339433
11.56433
2.288334
other
Sr8Mn4Nb4O24
40
87
519.99
mp-765578
13.043097
7.080199
-1.313706
other
Li4V2Si8O22
36
87
438.76
mp-555845
8.708455
1.449258
1.297783
other
Ba2Li2Zr4F22
30
87
376.64
mp-17339
10.204213
8.820251
2.584765
other
Ba5Ho8Mn4O21
38
87
564.29
mp-555105
8.84259
1.963298
0.893687
other
Ta9Pb12O20F29
70
87
1,072.79
mp-19485
10.018256
8.868951
2.504452
other
Ba5Gd8Mn4O21
38
87
586.5
mp-6254
9.442698
9.669357
3.537755
other
Ba2Tb1Nb1O6
10
87
157.18
mp-6304
9.443683
9.45488
1.212294
other
Sr2Ga1Sb1O6
10
87
126.86
mp-18757
10.160164
11.287455
0.739266
other
Sr2Cd1W1O6
10
87
136.55
mp-1080719
10.026328
9.885606
3.591445
other
Sr2Y1Ta1O6
10
87
140.72
mp-1078539
8.514339
11.275641
0.899972
other
Sr2Mg1Mo1O6
10
87
127.84
mp-18771
9.855639
11.401317
0.488001
other
Sr4Co2W2O12
20
87
258.6
mp-18857
9.887963
11.364868
0.645997
other
Sr2Fe1Mo1O6
10
87
128.11
mp-1214489
9.114614
8.997929
2.67394
other
Ba5Er8Ni4O21
38
87
536.35
mp-19420
9.765397
11.510581
0.941652
other
Sr2Mg1W1O6
10
87
124.08
mp-581206
7.440854
9.004133
0.686383
other
Ba5Eu8Zn4O21
38
87
586.07
mp-1086666
9.931456
10.023889
3.264782
other
Sr2Ta1In1O6
10
87
138.28
mp-722891
8.681114
1.270363
-3.912623
other
Na4Ni2H28N12
46
87
465.86
mp-12417
9.494844
10.624186
1.461408
other
Ba2Ca1Re1O6
10
87
148.71
mp-1223155
11.896042
10.008101
2.000691
other
La2Nb1Cr1O6
10
87
134.51
mp-19460
9.993191
8.826311
2.522148
other
Ba5Nd8Mn4O21
38
87
617.31
mp-17357
12.186785
6.616351
0.299448
other
Na4Sm4Si4O16
28
87
383.31
mp-1223257
11.701109
10.437979
1.082258
other
La2Cr1Mo1O6
10
87
129.73
mp-505618
9.468591
11.273893
0.67608
other
Ba2Cu1W1O6
10
87
141.82
mp-1205327
9.376293
9.818396
-0.337738
other
Sr2Ni1Te1O6
10
87
128.31
mp-12427
9.93659
10.62273
3.408331
other
Sr2Ta1Ga1O6
10
87
123.27
mp-1228543
-6.101718
-2.111176
1.2402
other
Ba4Na1Fe10As10
25
87
491.05
mp-754592
10.39024
1.634612
1.846753
other
Li16Fe4O4F16
40
87
370.51
mp-546295
7.596771
10.800978
0.822562
other
Sr2Cu1Os1O6
10
87
127.84
mp-1078180
7.480414
10.753873
1.228764
other
Sr2Mg1Os1O6
10
87
125.88
mp-1190669
-1.215272
2.203577
-2.317384
other
K4Ti4I12O1
21
87
777.84
mp-1218769
7.417837
11.155746
1.156554
other
Sr2Mn1Ru1O6
10
87
126.38
mp-1203661
8.869787
0.784857
1.097824
other
K5Rb10Cr5F30
50
87
823.4
mp-1079403
7.657285
10.797879
0.954574
other
Sr2Co1Os1O6
10
87
126.33
mp-1212957
9.384328
2.294993
1.648841
other
Fe8Ag2Xe2F10
22
87
397.46
mp-18940
8.874258
11.420934
0.361198
other
Sr4Ni2Mo2O12
20
87
253.89
mp-555322
12.24168
6.707734
-0.077042
other
Eu8Si4Cl8O12
32
87
608.09
mp-1228411
10.27594
9.155758
2.238494
other
Ba10Li4U6O30
50
87
781.58
mp-1198971
8.607533
0.740373
1.295083
other
K5Rb10Ga5F30
50
87
821.51
mp-1079192
7.896526
10.480553
1.492919
original
Sr2Gd1Ru1O6
10
87
143.75
mp-1095110
10.447191
10.482281
1.677534
other
Ba2Sm1Mo1O6
10
87
159.78
mp-6795
9.462099
8.529942
2.995731
other
Ba5Ho8Zn4O21
38
87
550.96
mp-1206645
7.24811
11.643209
2.006193
other
Sr4Ti2Mn2O12
20
87
236.33
mp-1080625
8.433809
11.060553
0.719936
other
Sr2Li1Re1O6
10
87
127.17
mp-1228343
9.341482
10.128106
3.329218
other
Ba10Ca4Nb6O30
50
87
786.25
mp-1519697
7.200728
8.75698
-1.044384
other
Pr1Mg1Bi2O6
10
87
142.63
mp-548691
9.675594
10.883126
1.229339
other
Sr2Zn1Re1O6
10
87
128.94
mp-1079778
9.871403
11.434742
0.781172
other
Sr2Zn1W1O6
10
87
130.84
mp-6416
9.598361
8.553942
3.102585
other
Ba5Er8Zn4O21
38
87
545.73
mp-1078671
9.979031
11.272511
0.976963
other
Sr2Ca1W1O6
10
87
143.8
mp-1223626
-6.034946
-2.10873
1.214122
other
K1Ba4Fe10As10
25
87
500.42
mp-1095141
9.899117
11.34983
0.662851
other
Sr8Mn4Mo4O24
40
87
486.63
mp-1228258
9.393515
9.378555
-0.22238
other
Ba10Li4Te6O30
50
87
702.23
mp-557304
12.049704
6.549657
-0.140843
other
Sr8Si4Cl8O12
32
87
616.95
mp-16538
9.296982
8.526835
2.699947
other
Ba5Gd8Zn4O21
38
87
574.03
mp-1228312
9.196272
10.190163
3.293581
other
Ba10Ca4Ta6O30
50
87
776.31
mp-1205359
10.096781
9.338209
2.441258
other
Ba2U1Cu1O6
10
87
153.2
mp-732277
8.463631
1.469113
0.742618
other
K4Sn4O2F12
22
87
419.75
mp-13000
9.40564
9.713046
3.595579
other
Ba2Ho1Ta1O6
10
87
154.29
mp-510294
9.521769
11.424598
0.484306
other
Sr2Cu1W1O6
10
87
129.86
mp-1079971
8.713333
11.403831
0.805144
other
Sr2Zn1Mo1O6
10
87
129.98
mp-1078518
6.960479
10.862823
0.139277
original
Sr2Ni1Ir1O6
10
87
126.29
mp-758359
12.337775
6.962054
-1.440022
other
Li4Cr2Si8O22
36
87
434.39
mp-1218763
7.922195
10.511786
1.339009
other
Sr2Mn1Sb1O6
10
87
129.9
mp-1221018
-6.013057
-2.079256
1.187163
other
Na1Sr4Fe10As10
25
87
456.98
mp-15318
8.124512
0.817957
1.827506
other
Rb2Na1Ho1F6
10
87
181.01
mp-1080028
9.879457
10.348218
3.790468
other
Sr2Zr1Ti1O6
10
87
133.69
mp-1205677
9.928478
10.627786
3.426626
other
Sr2Nb1Ga1O6
10
87
127.6
mp-19182
9.682685
11.120723
1.284664
other
Ba2Ca1W1O6
10
87
154.9
mp-19471
10.211577
8.869764
2.499153
other
Ba5Sm8Mn4O21
38
87
599.05
mp-1078907
10.299659
10.514419
1.68904
other
Ba2Gd1Mo1O6
10
87
156.85
mp-556283
12.988091
6.252331
-0.816483
other
Na4Ti2Si8O22
36
87
468.19
mp-1202157
-0.75144
1.044218
-4.72978
other
Tl2Hg12Se8Br10
32
87
1,012.59
mp-541580
6.73946
9.993885
-0.091109
other
Ba5Yb8Ni4O21
38
87
517.2
mp-1173638
7.762194
10.667023
1.361459
other
Sr10Cu1Ru4O20
35
87
485.85
mp-20794
9.801127
11.450587
0.311014
other
Sr4Ni2W2O12
20
87
256.54
mp-1194777
10.289964
9.375191
-2.16784
other
Cu6Hg4Te12O32
54
90
905.01
mp-726654
8.431004
1.234377
1.38929
other
Li4Th10O2F44
60
90
884.07
mp-1181700
8.591714
2.07741
-4.463558
other
H48C12N24O12
96
92
909.72
mp-1196663
-2.702447
-2.501202
-5.615077
other
La32In8Sb8S72
120
92
3,058.82
mp-1214430
7.955108
5.03897
-6.190801
other
Ca8Y8C16O64
96
92
1,338.97
mp-704115
12.724483
6.952992
-6.382469
other
Cr8P16Pb12O64
100
92
1,333.86
mp-1200599
7.618688
8.239936
-3.244133
other
Na4Al12P8O56
80
92
995.96
mp-1196332
11.004262
4.597965
-4.619294
other
Fe8H40S8O44
100
92
976.7
mp-720526
8.583144
2.126843
-4.45157
other
H48C12N24O12
96
92
974.62
mp-651051
5.812903
3.479648
-4.536715
other
Te8W12C60O60
140
92
2,620.28
mp-1210715
10.170584
4.691538
-6.995236
other
Mn4Pb4S8O32
48
92
658.18
mp-559054
10.325147
4.106415
-4.398402
other
Ni4H48S4O40
96
92
856.92
mp-561266
10.734632
12.301971
-3.508434
other
Sr12V16Cd4O56
88
92
1,335.18
mp-560210
8.559405
3.268901
-5.756916
other
Ca4H8C8O16
36
92
457.96
mp-1197098
8.485445
3.251845
-5.74417
other
Sr4H8C8O16
36
92
549.96
mp-707105
13.697786
4.216677
-2.530474
other
Li12B20H8O40
80
92
704.38
mp-24500
10.347312
4.299382
-4.263347
other
Zn4H48Se4O40
96
92
923.47
mp-1211141
11.136671
4.310818
-3.84682
other
Na20Al4H32O32
88
92
888.88
mp-695815
11.522692
4.514859
-5.308845
other
Be4P8H16O16
44
92
530.49
mp-1210916
10.949244
4.11819
-6.782038
other
Mg12H8S8O40
68
92
747.04
mp-768074
10.357117
11.057215
-2.488518
other
Li4Ta4W4O24
36
91
578.89