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-754930
9.227418
3.922384
-7.55329
other
Li2V2C2S2O14
22
4
326.11
mp-554570
8.649976
1.833025
-4.371037
other
H20C6N2Cl2O8
38
4
382.9
mp-706243
11.991234
4.057474
-3.695985
other
Al8Si12H32N8O40
100
4
1,115.24
mp-770937
9.548289
3.629817
-8.196414
other
Na6Co2P2C2O14
26
4
315.67
mp-1221674
11.556999
4.663023
-4.691282
other
Na4As2P2H16O20
44
4
455.35
mp-1204628
10.597608
4.257481
-7.339183
other
Na12Hf2H2S10O42
68
4
1,046
mp-1224654
10.553886
10.073035
1.707557
other
Gd2Ti2Nb2Bi4O18
28
4
378.46
mp-774499
9.244428
4.760345
-8.336903
other
Na8Fe4P4C4O28
48
4
619.13
mp-1218544
7.402816
11.263585
1.052318
other
Sr2Ca2Mn2Ru2O12
20
4
245.67
mp-770905
8.274582
5.387189
-7.041181
other
Li2Mn2As2C2O14
22
4
297.06
mp-768216
9.324855
3.657796
-7.911514
other
Li4Bi2P2C2O14
24
4
323.01
mp-781078
13.365639
8.101675
-7.337484
other
Li6V4P8H4O32
54
4
575.69
mp-770901
8.763092
4.818052
-7.119939
other
Li2Fe2C2S2O14
22
4
298.39
mp-768618
8.625589
5.589567
-7.747704
other
Li6Fe4P4C4O28
46
4
554.54
mp-1259697
11.845544
6.410813
-1.142884
other
Cs2Sr2Si2H2O8
16
4
269.98
mp-768122
8.843126
5.537055
-6.676708
other
Na2Bi2P2C2O14
22
4
361.01
mp-1198250
8.834638
7.582214
-4.318366
other
Zn8As6C6N6O26
52
4
996.32
mp-677138
12.472452
5.241592
-5.465097
other
Rb8P8H8O24F8
56
4
914.3
mp-560324
9.892244
4.73511
-6.768009
other
Rb6Hg4S6Cl2O24
42
4
776.84
mp-1651906
7.84193
6.457969
-3.331591
other
K8Co4H16I16O56
100
4
1,497.01
mp-1218075
12.541059
6.415887
-0.321237
other
Sr2Ca2Zn2Si4O14
24
4
329.3
mp-600208
8.603995
1.817993
-4.558044
other
Zr2H72C32N8O32
146
4
1,424.45
mp-1196628
7.052347
6.605714
-4.297637
other
Ca6Si2C2S2O48
60
4
866.99
mp-1105566
10.895997
11.123945
0.51218
other
K2La2Mn2W2O12
20
4
272.73
mp-770949
9.6554
4.000699
-8.255587
other
Li4V2P2C2O14
24
4
274.6
mp-771890
9.724293
4.275179
-7.552214
other
Li2Sn2As2C2O14
22
4
325.71
mp-779443
11.321382
7.603599
-7.662445
other
Li4Mn2P4H2O16
28
4
293.11
mp-1221204
12.852219
6.467245
-0.795632
other
Na4Mg12Si16H4O48
84
4
939.79
mp-1226678
11.255391
6.821684
-1.512822
other
Cs6K2Zr4Si12O40
64
4
1,096.84
mp-720941
13.318247
7.137229
-6.980295
other
K8Ba8Cr16P24O96
152
4
1,966.52
mp-1182189
10.68393
3.556738
-4.410439
other
Co2P6H32N8O22
70
4
800.05
mp-764248
14.068084
8.16701
-7.20349
other
Li4V2Cr2P8O28
44
4
532.9
mp-25414
14.232439
8.121843
-5.114072
other
Li2P2W2C2O14
22
4
300.32
mp-1105374
11.112664
11.182922
-0.105581
other
Rb2Y2Mn2W2O12
20
4
298.72
mp-706225
11.355034
10.969368
0.70216
other
Sr6La2Mn4W4O24
40
4
545.33
mp-767538
9.566566
3.809559
-7.738241
other
Na2Ce2P2C2O14
22
4
370.2
mp-862999
13.213447
5.334951
-2.089047
other
Na2Si4B2H4O14
26
4
317
mp-772778
9.770735
3.85687
-7.665668
other
K2Hf2P2C2O14
22
4
383.46
mp-1182664
11.244048
4.939411
-5.072168
other
Mg4Be6P6H26O38
80
4
758.16
mp-768250
8.655243
5.447881
-6.828012
other
Li2Pr2P2C2O14
22
4
331.33
mp-1221087
9.230618
4.817764
-4.328322
other
Nd4P4H16S8O30
62
4
1,006
mp-729342
8.924628
5.216749
-5.553747
other
Rb6Bi4S4Cl10O20
44
4
1,032.44
mp-777803
13.139838
8.362426
-8.024364
other
Li4Mn2V2P8O28
44
4
541.38
mp-705896
10.961042
11.19637
-3.941262
other
Mg2V2Fe2Mo6O28
40
4
619.51
mp-559184
11.915213
6.748396
-1.627143
other
Zn4Si6Pb8S2O30
50
4
746.85
mp-1225394
10.305446
10.286896
1.702932
other
Eu2Ti2Nb2Bi4O18
28
4
380.37
mp-771344
9.62735
3.717521
-8.451995
other
Li12Fe4P4C4O28
52
4
566.3
mp-1651026
12.876374
5.814653
-5.442874
other
Li2Fe2P2H4O10
20
4
226.44
mp-1201087
4.873761
2.789247
-3.464461
other
Ag2W2C18S8N6
36
4
945.37
mp-780314
13.409753
8.093459
-7.309462
other
Li6V4P8H4O32
54
4
575.52
mp-686268
7.55005
1.875048
-4.415211
other
Cu8H16C16N12O4
56
4
604.85
mp-771252
9.914254
4.780287
-5.630592
other
Li2Mn2H8S4O20
36
4
373.44
mp-1200300
13.597177
4.371938
-2.428329
other
K4Sr2V2B10O24
42
4
573.62
mp-771345
9.29688
3.985054
-8.547882
other
Li12Ni4P4C4O28
52
4
542.89
mp-1201890
9.71663
7.434618
-5.440983
other
Al8P10H2N4O42
66
4
947.24
mp-1649942
9.571899
3.681272
-8.059229
other
K12Co4P4C4O28
52
4
756.63
mp-1104819
4.242737
2.83504
-3.566968
other
Pb2C2S2Br4N4
14
4
448.93
mp-1210586
11.301789
6.803363
-1.330852
other
Na4Ca8Zr4Si8O36
60
4
815.41
mp-863078
8.236295
5.509058
-6.296576
other
Na2Ni2C2S2O14
22
4
307.23
mp-1224197
8.814469
4.662746
-5.062355
other
K6Sn4S6Br2O6
24
4
599.07
mp-754902
9.268245
3.886623
-7.286583
other
Li2Sb2C2S2O14
22
4
333.25
mp-1229132
11.103129
8.128226
0.403281
other
Ba6Al4Ga4Fe4O24
42
4
688.98
mp-761240
13.140144
8.361157
-8.023682
other
Li4Mn2V2P8O28
44
4
538.83
mp-705889
13.874623
5.273011
-7.038797
other
Cs8Zr6Mn2P12O48
76
4
1,161.02
mp-1219683
13.870742
5.810475
-6.503102
other
Rb6Ti8Tl2P8O40
64
4
922.44
mp-25408
8.391226
5.726012
-7.448387
other
Li2Mn2P2C2O14
22
4
278.44
mp-1651273
10.953534
6.843233
-6.013979
other
Na12Co4B4P4O28
52
4
625.14
mp-1210016
10.166036
11.287697
0.798365
other
Na2Nd2Mg2W2O12
20
4
246.22
mp-1104712
3.620275
3.028079
-3.802573
other
Hg2C2S2N4Cl4
14
4
354.43
mp-770820
8.374568
5.476831
-6.316867
other
Na2Co2C2S2O14
22
4
306.61
mp-1189143
11.293609
11.184062
0.226034
other
Na2Nd2Fe2W2O12
20
4
252.45
mp-569084
7.526248
1.485999
-4.276846
other
H6Au2C4N2Cl2
16
4
271.91
mp-1221020
8.428452
11.436108
0.902961
other
Nd2Mn2Fe2Bi2O12
20
4
273.27
mp-995190
12.537511
5.814937
-1.521346
other
K2Ca2Si2H2O8
16
4
209.97
mp-1177014
12.055953
8.010258
-8.25056
other
Li12Mn6V2P12O48
80
4
929.82
mp-1105157
11.036934
11.13027
0.086744
other
Rb2Nd2Mn2W2O12
20
4
303.79
mp-768152
9.974254
3.892747
-7.70765
other
Na2Zr2P2C2O14
22
4
361.87
mp-771979
9.611081
4.245175
-7.574976
other
Li2Si2Sb2C2O14
22
4
303.53
mp-684783
-0.095259
0.713171
-3.74591
other
Na4Pr8Br18N2O2
34
4
982.8
mp-771337
9.780587
3.562972
-8.20237
other
Na12Fe4P4C4O28
52
4
642.01
mp-756295
8.942657
4.74293
-7.698421
other
Li4V4As4C4O28
44
4
631.48
mp-756658
9.777355
3.903831
-7.862161
other
Li12V4P4C4O28
52
4
552.98
mp-759323
9.569525
3.797964
-8.501896
other
Na10Fe4P4C4O28
50
4
628.57
mp-699606
8.08882
2.385964
-1.397101
other
Sb6W2C12O12F34
66
4
1,100.22
mp-761112
14.071837
8.167521
-7.199831
other
Li4V2Cr2P8O28
44
4
532.82
mp-555799
10.278793
3.883162
-4.567291
other
V2H20S2N2O18
44
4
404.68
mp-559646
8.094407
3.611592
-3.749914
other
K6C6S6O18F18
54
4
917.33
mp-695307
9.5131
3.837327
-4.567255
other
K12Sb4H36S16O18
86
4
1,394.87
mp-556868
10.169309
9.46755
-2.006176
other
Sr2Cu4Te4Cl4O12
26
4
448.39
mp-1016213
9.977419
2.769082
-4.514477
other
Sn6H16C4N2O14
42
4
529.56
mp-1638522
12.839151
5.868012
-5.423187
other
Li2Fe2P2H4O10
20
4
217.14
mp-1229091
10.537667
5.59643
-5.50482
other
Fe4P4H12C4O26
50
4
627.23
mp-759630
14.071671
8.166889
-7.198845
other
Li4V2Cr2P8O28
44
4
533.06
mp-757110
9.409174
3.810539
-8.209922
other
Na12Ni4P4C4O28
52
4
621.22
mp-1105199
10.991418
11.068694
0.501872
other
Rb2La2Mn2W2O12
20
4
279.08
mp-1224290
13.524079
5.55668
-6.783177
other
K8Ti2Sn6P8O40
64
4
950.91
mp-697304
14.099564
5.202441
-7.300324
other
K8Hf6Mn2P12O48
76
4
1,048.81
mp-1983876
9.084642
4.27607
-7.465133
other
Li8Co4C4S4O28
48
4
565.57
mp-1173447
6.581191
4.930727
-4.545887
other
Rb8Sb4N8O24F12
56
4
920.25
mp-573281
12.156284
7.132236
-0.437361
other
K2Na6Al8Ge8O32
56
4
812.12