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-770715
10.339575
11.688595
-2.450321
other
Ga8W4O24
36
13
399.02
mp-1019513
13.645131
5.594102
-6.861574
other
Al6P6O24
36
13
460.15
mp-569569
1.424178
2.089637
-5.164816
other
Sm2Al4Cl16
22
13
647.56
mp-561313
11.154307
7.38716
-2.377927
other
Si4Ag12O14
30
13
426.27
mp-756569
7.025103
12.856451
-1.576171
other
Li6Cr2O8
16
13
138.37
mp-605646
4.853738
2.99287
-3.347996
other
Rb2Ba4N30
36
13
595.87
mp-1100380
-3.55652
-1.433485
-5.75737
other
Ca2Sn8S18
28
13
689.64
mp-753510
10.731091
9.278165
-0.754427
other
Sb6O8F2
16
13
287.96
mp-27889
-4.787341
0.337119
-4.524226
other
K2V20S32
54
13
933.48
mp-19387
11.031741
11.227486
-2.18907
other
Cd2W2O8
12
13
151.67
mp-727148
6.669406
5.906802
-3.615427
other
Pr2Cl6O12
20
13
330.8
mp-1103309
10.078746
11.426762
-2.789529
other
Cu2W2O8
12
13
135.56
mp-676300
10.67999
9.540925
3.270597
other
Sc6Nb2O14
22
13
252.94
mp-27022
13.658607
8.583339
-7.208602
other
V4P10O32
46
13
667.66
mp-1210588
9.631876
10.748145
-1.355035
other
Mg2Te2O8
12
13
131.64
mp-694894
8.301908
14.351161
-1.617989
other
Li2Mn24O48
74
13
852.71
mp-28606
-4.344275
-2.163176
-3.514433
other
K6Au2Se26
34
13
1,026.24
mp-1182093
6.867108
5.957645
-3.476963
other
Ba2Pd2O10
14
13
194.49
mp-570270
1.35241
2.447643
-4.225362
other
Nb4Se4Cl12
20
13
537.96
mp-1020588
12.277334
7.389276
-0.289098
other
Zr2Si2O8
12
13
119.39
mp-1003638
8.254661
14.420212
-1.559763
other
Na2Mn16O32
50
13
545.33
mp-850199
12.874757
-0.82366
0.370414
other
Mn8O8F8
24
13
274.31
mp-680309
2.071264
2.919131
-4.491742
other
Mo8N4Cl32
44
13
1,300.27
mp-17201
10.547952
10.700073
0.98086
other
Er8W4O24
36
13
436.42
mp-560778
11.563769
12.434751
-3.058264
other
Na18V28O70
116
13
1,596.17
mp-1190940
4.6123
2.206966
-3.082493
other
Li4C8N12
24
13
334.3
mp-1189170
6.534887
5.993259
-3.80419
other
Lu2Cl6O12
20
13
392.91
mp-753809
-1.222788
1.916258
-1.663911
other
Ba2Ca2I8
12
13
541.87
mp-1228782
8.283878
14.310528
-1.450192
other
Ba2Mn16O32
50
13
557.37
mp-1353537
10.493806
3.632467
-4.100034
other
Ba2H32O20
54
13
482.53
mp-882498
12.246084
7.720483
-7.63367
other
Mn4P10O30
44
13
597.18
mp-27026
10.886498
8.147101
-7.58739
other
Mn4P10O32
46
13
636.39
mp-761315
6.627917
13.352335
-1.784706
other
Mn2Fe2O8
12
13
122.43
mp-1019592
14.026093
4.533832
-2.156696
other
Ce4B16O30
50
13
439.85
mp-27669
5.158574
3.077534
-4.047087
other
H8S24N8
40
13
896.84
mp-1003641
8.782629
14.673894
-0.65287
other
Mg8Mn16O32
56
13
745.66
mp-754727
-5.450912
-0.835408
-4.562039
other
Li2Ni2S4
8
13
117.06
mp-1195596
1.543515
1.907362
1.376753
other
Sr20Co8N16
44
130
948.16
mp-762244
9.148371
0.740353
-0.037293
other
Li8Ag4F16
28
130
430.2
mp-1247417
1.729924
1.946782
0.994226
other
Cs8Ca20N16
44
130
1,122.15
mp-1043406
12.829432
6.334192
-1.07233
other
Ti4Si16O40
60
130
826.37
mp-1198317
-2.897023
-7.607074
7.373066
other
Mg16Al4Si12
32
130
594.62
mp-1043424
11.124939
7.027475
-1.75969
other
Si16Bi4O40
60
130
933.35
mp-758688
9.772097
0.382265
0.316707
other
Li8Cu4F16
28
130
336.89
mp-769019
8.297888
8.81157
-0.707923
other
Li4Bi8O16
28
130
412.28
mp-27761
8.678743
1.170031
1.234398
other
Li12Th4F28
44
130
591.76
mp-29259
9.613691
8.682494
-0.794543
other
Bi8Pd4O16
28
130
439.8
mp-1043416
13.312223
6.394941
-0.821775
other
Si16Sb4O40
60
130
895.17
mp-1245420
1.604758
1.958521
1.075694
other
Ca20Au8N16
44
130
847.74
mp-1246246
1.619295
1.838104
1.146329
other
Ca20Cu8N16
44
130
787.72
mp-1101351
10.428516
8.148193
1.315925
other
Sr12Ge4O20
36
130
549.82
mp-1245406
1.708703
1.919653
1.012145
other
Rb8Ca20N16
44
130
1,101.77
mp-28920
-4.67346
-3.173299
-4.300278
other
Tl20Se8Cl4
32
130
979.59
mp-1043728
10.906164
7.107954
-2.012135
other
Mn4Si16O40
60
130
866.8
mp-5487
10.928282
7.746949
1.328404
other
Sr12Si4O20
36
130
522.88
mp-1325790
10.238579
7.396319
-2.478601
other
Si16Ni4O40
60
130
852.54
mp-540618
7.947081
6.852121
-2.900505
other
K12I4O20
36
130
673.11
mp-9622
-3.65337
-1.903858
-5.501042
other
Tl16Sn4S12
32
130
962.57
mp-1043652
12.589122
6.885026
-1.50854
other
V4Si16O40
60
130
858.25
mp-616173
-6.951549
-5.096521
5.240805
other
Ce20Ni4Ge8
32
130
801.01
mp-571510
-2.383744
0.43281
2.496516
other
Pr20B8C20
48
130
835.82
mp-1246863
1.514356
1.827514
1.368526
other
Sr20Fe8N16
44
130
946.74
mp-643923
2.788267
-0.355583
-1.677646
other
Zr8Co4H20
32
130
273.45
mp-1043760
14.969728
6.535025
-0.312462
other
Si16W4O40
60
130
944.71
mp-734653
7.699312
6.929448
-4.45718
other
U4P4O40
48
130
795.35
mp-1245411
1.595993
1.923737
1.016713
other
Ca20Ag8N16
44
130
854.91
mp-1096811
10.705793
8.942632
-0.028638
other
Al4Bi8O16
28
130
441.68
mp-569383
1.541337
1.848004
1.403135
other
Ca20Co8N16
44
130
781.36
mp-583509
-4.448738
-1.109809
-4.874604
other
Ba20Fe36S72
128
130
2,994.02
mp-29359
1.545858
2.530673
-5.550901
other
Na8Pd4Cl16
28
130
676.7
mp-643907
2.772294
-0.230962
-1.653162
other
Zr8Fe4H20
32
130
265.74
mp-23947
3.152529
-0.571341
-2.496994
other
Cs12Mg4H20
36
130
913.24
mp-1246584
1.679603
1.888361
1.217528
other
Li8Ca20N16
44
130
821.37
mp-1043700
10.711905
7.282586
-2.215017
other
Fe4Si16O40
60
130
848.5
mp-1142841
11.368334
6.974231
-1.884092
other
Cr4Si16O40
60
130
917.78
mp-1043698
13.788839
6.640054
-0.984246
other
Si16Mo4O40
60
130
900.57
mp-1043403
12.786016
6.410894
-1.077613
other
Si16Sn4O40
60
130
912.04
mp-1245790
1.435149
1.841242
1.408397
other
Ca20Fe8N16
44
130
799.11
mp-1245602
1.565888
1.786165
1.119426
other
Ba20Fe8N16
44
130
1,124.05
mp-505042
9.526463
8.835639
-0.41162
other
Cu4Bi8O16
28
130
417.67
mp-23948
3.241046
-0.587147
-2.537215
other
Rb12Mg4H20
36
130
803.23
mp-24312
10.549673
3.46735
-4.084689
other
Sr4H72O40
116
130
938.26
mp-618309
7.583109
9.074186
-1.106051
other
Bi8Au4O20
32
130
431.55
mp-18628
-2.583008
0.403544
2.614106
other
Dy20B8C20
48
130
710.17
mp-1043669
10.451037
7.302527
-2.351232
other
Co4Si16O40
60
130
837.26
mp-778602
10.044127
8.250254
1.512511
other
Ba12Ge4O20
36
130
637.55
mp-1247306
1.750607
1.945401
1.032761
other
K8Ca20N16
44
130
1,057.23
mp-1245413
1.717105
1.863849
1.056466
other
Na8Ca20N16
44
130
936.07
mp-1195087
-4.493889
-3.163395
-4.009969
other
Tl16Pb4Se12
32
130
957.08
mp-1246123
1.365855
1.823584
1.507775
other
Ca20Os8N16
44
130
841.08
mp-675525
-4.648447
-2.697084
-4.002748
other
In4Ga4Se8
16
130
435.07
mp-1079430
-2.841579
1.060008
2.673595
other
Sm2B4C4
10
131
109.38
mp-1079886
-3.076907
1.218927
2.847692
other
Eu2B4C4
10
131
114.27
mp-676023
8.606348
1.352094
1.846993
other
Na2Y6F20
28
131
347.06
mp-558172
7.63002
10.597251
-0.741703
other
Ca2Pt4O8
14
131
192.13
mp-28645
1.334611
1.977304
1.439473
other
Ca2Ni2N2
6
131
88.14
mp-1087507
-2.744002
0.966099
2.536368
other
Ce2B4C4
10
131
109.33
mp-20350
-3.421541
1.249482
2.792566
other
Dy2Co2C2
6
131
90.26
mp-1147657
7.40766
9.368068
-1.901763
other
K2Au4O8
14
131
265.65
mp-33997
11.164246
11.45173
2.216474
other
Ta2O4F2
8
131
123.21