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-1178044
9.166658
13.882016
-1.156025
other
Li8Cr12Ni4O32
56
78
580.41
mp-1335176
9.977279
4.537631
-4.364799
other
V4P4H44O36
88
78
956.64
mp-568804
-0.538068
1.311279
-4.326509
other
Hg36Bi8As16Br48
108
78
3,684.39
mp-773482
11.823279
13.543616
-1.360646
other
Li8V12Fe4O32
56
78
604.11
mp-1366251
9.962108
4.554261
-4.363762
other
V4P4H44O36
88
78
1,025.63
mp-761004
10.384725
0.944248
0.581128
other
Li4Co8O4F12
28
78
319.92
mp-773844
11.610134
13.708311
-1.587047
other
Li8V12Cu4O32
56
78
598.68
mp-764789
10.626619
1.214381
1.860501
other
Li4Mn8O4F12
28
78
353.92
mp-775178
10.082373
2.454957
2.212774
other
Li4Fe8O4F12
28
78
337.9
mp-1103861
5.758845
5.12969
-4.217519
other
Rh1N7Cl1O6
15
79
293.43
mp-556364
12.357484
6.504452
-0.290129
other
Ca8Si4Cl8O12
32
79
553.23
mp-1227890
9.041742
3.574031
-5.619576
other
Ca4H16C8O25
53
79
585.59
mp-23565
7.752078
9.891468
-3.672309
other
Cr4Ag1Bi1O14
20
79
309.26
mp-1104768
5.818288
5.174072
-4.20885
other
Ir1N7Cl1O6
15
79
299.42
mp-1280283
10.967564
11.017484
0.232945
other
Fe1Re1Pb2O6
10
79
130.27
mp-558710
11.192452
11.191321
-2.528819
other
Na4Zr2W6O24
36
80
500.85
mp-1223988
13.84719
8.59314
-5.601265
other
K2Mo8P16O56
82
80
1,184.46
mp-1214498
8.099339
10.495844
1.775031
other
Ca6Nd16Ru8O48
78
80
1,057.99
mp-1203906
1.011643
2.66401
1.593417
other
Cs10Na2W8N20
40
80
908.31
mp-2228333
11.270081
11.746455
2.688721
other
Mg1Ta4Cu2O12
19
81
233.72
mp-2230430
12.050918
1.655545
0.104546
other
Mg1Fe6O8F4
19
81
216.22
mp-2230808
6.398268
9.118316
-1.482367
other
Mg1Hg2Bi4O12
19
81
296.6
mp-2230547
9.864378
10.223564
-0.990615
other
Mg1Cu2Sb4O12
19
81
237.54
mp-1235565
11.022466
7.679354
-2.307163
other
Li1Si2Ag8O8
19
81
288.04
mp-1228309
-4.644597
-3.138258
-3.843522
other
Ba8Ga10Ag2Se24
44
81
1,289.68
mp-2230359
10.318882
11.079338
-0.750708
other
Mg1Fe2Sb4O12
19
81
243.6
mp-2230282
11.869345
12.071152
-0.993128
other
Mg1Cr4W2O12
19
81
210.68
mp-542807
10.263279
9.457149
-2.182838
other
Cu4Te4Br4O10
22
81
409.16
mp-2230624
10.531086
13.741894
-1.756336
other
Mg1V2Cr4O12
19
81
198.66
mp-2230489
9.463567
11.69413
-1.130916
other
Mg1Mo2Rh4O12
19
81
214.03
mp-2230542
9.587298
12.345742
-1.446341
other
Mg1Fe4Te2O12
19
81
213.12
mp-2232138
13.794824
8.983923
-6.29852
other
Mg1V2P2O10
15
81
212.77
mp-1196785
12.483136
9.189553
1.271907
other
Ca36Co18Si36O30
120
81
2,184.12
mp-1233523
11.657763
11.794124
-1.368035
other
Mg1Ga4W2O12
19
81
209.36
mp-1229267
-5.189091
-2.938945
-4.024305
other
Ce1In3Cu4Se8
16
81
419.2
mp-1221886
-4.894703
-2.73432
-3.933248
other
Mn1Cd1Ga4Se8
14
81
373.25
mp-1233615
11.136436
7.566069
-2.12747
other
Mg1Si2Ag8O8
19
81
303.73
mp-2232199
13.639705
8.971012
-6.227711
other
Mg1V2P2O10
15
81
207.81
mp-1226872
11.163864
11.012615
-3.479118
other
Cd4Mo3W1O16
24
81
315.95
mp-2231478
10.632967
11.149365
-0.683802
other
Mg1Cr2Sb4O12
19
81
247.48
mp-2230567
12.896615
12.02758
-0.78644
other
Mg1V4W2O12
19
81
215.86
mp-1224891
-5.07143
-2.832928
-4.205815
other
Ga3Cu3Si1Se8
15
81
347.35
mp-1228851
12.353178
6.306711
-5.29809
other
B1P5Pb6O20
32
81
503.4
mp-2228692
10.441043
5.150527
-6.244549
other
Mg1V2S2O10
15
81
219.98
mp-622018
11.382405
7.186262
-3.910295
other
B1As5Pb6O20
32
81
553.95
mp-1234712
8.602768
4.912698
-5.071491
other
Mg1S8O20F8
37
81
635.02
mp-2232721
14.515929
8.154965
-3.844235
other
Mg1Nb2P2O10
15
81
229.57
mp-1224083
-6.032123
-3.437659
-2.348494
other
In3Ag3Hg2Te8
16
81
570.06
mp-2230280
9.964514
9.865997
-0.916379
other
Mg1Hg2Sb4O12
19
81
266.44
mp-1215615
-4.125142
-1.368128
-5.894563
other
Zn1Cd1Ga4S8
14
81
316.17
mp-1233372
11.681253
11.659039
-1.232708
other
Ca1Ga4W2O12
19
81
216.07
mp-2231096
10.704928
14.289974
-0.993735
other
Mg1Mn6O8F4
19
81
222.01
mp-1224343
-6.071984
-3.324217
-2.289353
other
In4Cu1Ag3Te8
16
81
546.2
mp-2230544
11.906655
11.895706
1.733073
other
Mg1Nb4Ni2O12
19
81
224.77
mp-2230983
10.012313
9.945841
-0.577448
other
Mg1Zn2Sb4O12
19
81
241.49
mp-2232637
12.154203
8.083998
-7.024427
other
Mg1Cr2P2O10
15
81
204.43
mp-1221562
-4.943098
-2.70088
-3.937431
original
Mn1Zn1Ga4Se8
14
81
353.43
mp-1204954
12.022738
6.528381
-1.590795
other
Cd12Ge17B8O58
95
81
1,096.29
mp-581276
10.220496
9.460356
-2.099519
other
Cu4Te4Cl4O10
22
81
384.15
mp-2228679
13.959654
8.909541
-4.288566
other
Mg1Mo2P2O10
15
81
225.5
mp-1223550
7.873128
7.956343
-4.056402
other
K1P4N3O16
24
81
468.65
mp-2230224
6.278218
9.586916
-1.562233
other
Mg1Co2Bi4O12
19
81
264.95
mp-1234365
10.982637
7.665794
-2.12645
other
Ca1Si2Ag8O8
19
81
326.68
mp-2230641
6.334346
9.611929
-1.596623
other
Mg1Ni2Bi4O12
19
81
264.46
mp-1224530
-5.096638
-2.847552
-4.094598
other
In3Cu3Si1Se8
15
81
383.55
mp-1226985
-6.059646
-3.385696
-2.336442
other
Cd2In3Ag3Te8
16
81
567.36
mp-1229199
1.028215
1.5022
-4.992462
other
Ba17Sr1Sm12Cl68
98
83
2,770.91
mp-1228072
9.734704
9.625932
3.892904
other
Ba4Ca1Zr5O15
25
83
379.45
mp-641778
-7.570984
-3.571457
5.269714
other
Dy7In1Co4Ge12
24
83
455.52
mp-1218523
5.298468
10.883488
-1.121352
other
Sr8Ca2Fe10O30
50
83
593.66
mp-641845
-7.567109
-3.640769
4.757252
other
Yb7In1Co4Ge12
24
83
459.21
mp-1279341
9.687673
11.406043
0.807309
other
Sr4Mn2Mo2O12
20
83
261.55
mp-1190414
-7.496559
-4.094232
4.604957
other
Yb7In1Ni4Ge12
24
83
460
mp-1220514
-7.209658
-1.334408
4.28488
other
Nb5Cr1B4Ru10
20
83
266.12
mp-558557
8.05829
9.699375
1.855434
other
Ba1La4Cu5O12
22
83
295.58
mp-570940
-7.551511
-3.483544
5.219525
other
Ho7In1Co4Ge12
24
83
450.06
mp-1220578
-7.188328
-1.333292
4.305633
other
Nb5Ni1B4Ru10
20
83
264.32
mp-1201161
10.997145
7.791054
1.10914
other
Pr16As4Br4O32
56
84
939.08
mp-1199840
-4.29735
-2.73646
-3.359919
other
Cs10As2P8Se24
44
84
1,575.62
mp-621926
14.284829
4.799302
-5.445364
other
Na16Ti8Si8O40
72
84
954.14
mp-604147
8.261337
1.163842
-3.987185
other
Na8Li4H24N12
48
84
457.18
mp-707477
7.976824
0.416798
-4.531856
other
As10H120C40I30
200
84
3,281.34
mp-1218670
7.455247
11.963862
1.99451
other
Sr8La2Mn10O26
46
84
608.41
mp-866641
8.180145
1.218128
-3.851562
other
K8Na4H24N12
48
84
613.87
mp-1211567
10.642818
7.918509
1.506261
other
La16As4Br4O32
56
84
992.97
mp-1198663
8.146188
1.197232
-3.831788
other
K8Li4H24N12
48
84
588.98
mp-26477
11.519093
7.379615
-7.254895
other
Li1Cu1P1O4
7
82
84.51
mp-16577
8.740414
1.233503
1.396135
other
Li2Ca1Hf1F8
12
82
134.59
mp-1220735
11.35577
11.136384
-2.459337
other
Na1La1W2O8
12
82
165.91
mp-1226100
-5.274693
-2.503132
-4.037808
other
Co1Cu2Sn1Se4
8
82
186.18
mp-1226052
-5.276856
-2.557028
-4.10854
other
Co1Cu2Ge1Se4
8
82
175.07
mp-695799
12.137387
4.995206
-5.148846
other
K4P4H8O16
32
82
430.66
mp-2226747
-3.574858
-1.55505
-5.407562
other
Na3Mg1Sb1S4
9
82
242.88
mp-1224851
-4.928863
-2.801602
-4.004131
other
Ga1Cu1Ge1Se4
7
82
163.89
mp-1221085
11.651149
11.137713
-3.527975
other
Na1Ce1Mo2O8
12
82
168.74
mp-1078111
-3.421824
-0.413822
-4.77959
other
Cu1Mo1S4N1
7
82
185.73
mp-2223052
-4.69896
-1.317587
-5.812561
other
Mg1Ti1Cu4S4
10
82
172.22
mp-1103543
11.06651
11.006866
0.456597
other
Ba1Dy1Fe4O7
13
82
188.36
mp-569711
4.171462
2.138974
-2.997102
other
K5Nb1C8N8
22
82
400.68
mp-1222335
9.723598
10.557459
-3.89175
other
Li1Yb1Mo2O8
12
82
152.45