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-1218732
8.181415
9.787315
1.364149
other
Sr14Cu4Hg2Bi2Sb2O30
54
51
823.12
mp-605006
8.910548
2.214448
-4.637073
other
Li8H64C16S16N8O40
152
52
1,569.07
mp-562114
8.46238
2.957466
-4.673025
other
V8Co4H16C16N8O24
76
52
938.96
mp-1221076
12.824471
6.427551
-0.482429
other
Na1Ca1Sc1Zn1Si4O12
20
5
232.83
mp-776520
13.76371
5.761491
-7.326041
other
Na2Li2Ti2Al2P6O24
38
5
457.06
mp-1234212
8.886873
1.811845
1.90508
other
Ba6Mg1Sc2C2O6F14
31
5
489.32
mp-1223684
12.970469
6.305327
-0.746926
other
K2Na2Mg6Zn4Si24O60
98
5
1,325.43
mp-534889
12.871023
6.673398
-0.845159
other
Na3Ca3Mg3Cr3Si12O36
60
5
672.19
mp-720332
13.059295
6.643329
-0.701386
other
Na5Ca1Al5Fe1Si12O36
60
5
635.73
mp-1173558
13.187325
7.749245
-7.426644
other
Na2Mn4Fe2Ag2P6O24
40
5
471.64
mp-1173820
13.307687
7.41848
-5.786685
other
Na4Mn2Cd2Fe2P6O24
40
5
544.58
mp-705485
12.736013
6.464595
-0.619776
other
Na1Ca5Sc1Zn5Si12O36
60
5
690.88
mp-1235142
9.498055
9.429422
1.699457
other
Sr4Li1Mn2Cu3S4O4
18
5
302.44
mp-2228384
9.350121
6.12359
-4.39027
other
Na1Mg1Cu2H2Se2O10
18
5
222.79
mp-1235689
9.487461
9.443682
1.683022
other
Sr4Li1Mn2Cu3S4O4
18
5
306.58
mp-1222576
12.253662
4.957825
-5.107272
other
Mn3Al4Fe1P4H16O28
56
5
539.28
mp-1219802
12.976295
6.299801
-0.741408
other
Rb2Na2Mg6Zn4Si24O60
98
5
1,331.33
mp-720704
12.720804
6.482045
-0.651394
other
Na1Ca9Sc1Zn9Si20O60
100
5
1,146.75
mp-977569
8.773561
2.035001
-4.526322
other
Na2H12C2N4Cl2O4
26
5
289.9
mp-1229035
13.19499
6.940877
-0.690065
other
Ba2Ce2Ti2Fe1Si8O26
41
5
588.22
mp-752778
13.422329
6.628829
-6.732807
other
Cs4Li4Mn4P12H4O40
68
5
1,051.32
mp-721039
12.5527
6.743993
-0.702467
other
Na2Ca6Mg7Fe1Si16O48
80
5
911.47
mp-1221075
12.368736
6.914752
-1.108364
other
Na4Ca4Mg4Fe4Si16O48
80
5
902.31
mp-684743
11.683474
4.728789
-3.610817
other
Ga1Ge5H6C4N1O12
29
5
387.07
mp-1173728
12.697525
7.349327
-7.492927
other
Na4Mn2Cd2Fe2P6O24
40
5
477.8
mp-1226397
8.987977
2.492913
-4.70048
other
Cu1H16Pt1C4N4O11
37
5
398.83
mp-1226113
9.052471
2.407824
-4.65758
other
Cu1H18Pd1C4N4O11
39
5
398.57
mp-1173750
13.428159
7.083698
-0.746393
other
Na3Ca3Al3Fe3Si12O36
60
5
663.65
mp-1236434
9.472128
9.438142
1.703639
other
Sr4Li1Mn2Cu3S4O4
18
5
308.91
mp-1173694
13.203766
6.767804
-0.699905
other
Na3Ca3Mg3Cr3Si12O36
60
5
773.93
mp-697210
8.175273
8.667806
-1.260885
other
Ca11Y1Al15Cr4Si1O48
80
5
902.99
mp-2230838
11.755823
11.259733
-1.535001
other
Mg1Ti2Tl2W2O10F2
19
5
290.24
mp-1221089
12.86185
6.564892
-0.565975
original
Na1Ca1Mg1Al1Si4O12
20
5
217.85
mp-1223700
12.703886
5.683344
-2.079121
other
Mg1Al8Fe3Si8H16O40
76
5
733.79
mp-1233888
9.694563
9.446218
1.769046
other
Sr4Mg1Mn2Cu3S4O4
18
5
322.67
mp-1173587
12.777984
7.49883
-6.791865
other
Na2Mn4Fe2Ag2P6O24
40
5
608.22
mp-1221077
12.853207
6.673079
-0.863711
other
Na2Ca2Mg2Cr2Si8O24
40
5
447.31
mp-1218546
7.662181
10.185888
1.595333
other
Sr4Ca1Y1Ga2Cu4O14
26
5
344.91
mp-1217853
8.618032
3.729288
-5.998263
other
Sr1Zr1Cd1H8C8O22
41
5
570.02
mp-534793
12.766762
6.545829
-0.506643
other
K1Ca5Mg5Al1Si12O36
60
5
678.73
mp-1233034
9.185811
7.48842
-4.463986
other
Ba1Mg1Al3P2H2O14
23
5
252.84
mp-1216341
11.439787
7.087099
-3.943695
other
Zn9Si2Te3P4Pb9O42
69
5
1,001.51
mp-1209124
8.340004
9.208736
1.106998
other
Sr4Ca2Cu4Bi4I2O16
32
53
546.58
mp-1212132
4.249012
2.357999
-3.179507
other
K6Na2Mo2C8N8O4
30
53
772.74
mp-556641
12.925886
5.355594
-6.031281
other
Na16Li8Al8P16H16O72
136
54
1,423.49
mp-13726
12.767775
6.316266
-0.495178
other
Na12Sr4La4Zn4Si24O68
116
54
1,539.39
mp-649756
7.208298
2.857331
-2.675115
other
Ag4As4S24N16O8F24
80
54
1,470.59
mp-1179600
8.340199
2.337583
-4.594283
other
Zn4H64C16S16N40O24
164
56
2,355.05
mp-707466
8.287687
3.337476
-3.28774
other
H4C8S8N4O16F24
64
56
895.56
mp-706601
8.373825
2.396762
-4.623834
other
Zn4H64C16S16N40O24
164
56
2,102.71
mp-557395
8.180782
3.473449
-3.554477
other
Li4C8S8N4O16F24
64
56
901.49
mp-1198217
8.939301
2.328058
-4.526155
other
Zn12H96C16Se20N48O60
252
57
2,956.4
mp-1202565
9.195728
1.70199
-4.529804
other
Ga4P8H60C20N8O32
132
58
1,304.48
mp-1197419
12.380795
6.792911
-0.644323
other
Rb12Na2U6Si8O40F2
70
58
1,238.97
mp-695945
5.034277
2.645918
-3.838141
other
Na8H16Ru4C20N24O12
84
58
1,220.17
mp-690698
7.648921
2.164516
-1.601749
other
Ag2Sb2H4C4N4F12
28
58
467.23
mp-540591
5.226945
2.626515
-3.922036
other
Na8Fe4H16C20N24O12
84
58
1,153.08
mp-722188
12.495922
5.295293
-2.403731
other
Na2Ca8Si16H32O56F2
116
58
1,285.55
mp-559419
12.634838
6.37232
-0.714435
other
Ba18Li2Si20C2Cl14O56
112
59
2,022.18
mp-1196395
9.254332
1.821567
-4.209614
other
Co4H72S8Br4N24O16
128
55
1,316.5
mp-705014
8.015718
2.807992
-2.359514
other
Ni8P16C44S8O12F96
184
60
2,902.15
mp-772852
12.563414
5.089979
-5.732462
other
Na12Zn16P16H16N4O64
128
60
1,535.63
mp-1202516
4.429309
3.010471
-3.751015
other
Hg4H16C8S8N24Cl8
68
60
1,965.66
mp-1200704
8.324144
1.214752
-4.51085
other
H112C40S8N24Cl8O16
208
60
2,422.72
mp-6902
8.14939
3.525704
-3.581633
other
K16C32S32N16O64F96
256
60
4,062.66
mp-1196575
8.376534
1.165659
-4.483923
other
H64C16S8Br8N8O8
112
60
1,348.61
mp-774723
8.830651
2.490947
-4.735046
other
Cu4H48C12S4N24O28
120
60
1,116.36
mp-720283
7.392848
2.255122
-4.368453
other
K8H24Pt4C16N16O12
80
60
1,118.67
mp-1204048
8.094967
1.845255
-4.357406
other
B8H104C32N80Cl8O4
236
60
2,403.53
mp-761258
14.405081
7.620786
-6.47191
other
Li12Mn4Fe4Co4P12O48
84
6
907.74
mp-2231511
11.574818
9.657982
2.408257
other
K2Na2Pr2Mg1Nb2O10
19
6
302.58
mp-1227606
7.63945
9.826849
1.259982
other
Ba1Sr1Y1Tl1Cu2O7
13
6
186.23
mp-764969
14.39608
7.618535
-6.480114
other
Li12Mn4Fe4Co4P12O48
84
6
905.61
mp-766588
9.867046
3.90314
-7.824156
other
Li12V3Co1P4C4O28
52
6
557.34
mp-1234626
11.849299
7.306149
-4.185279
other
Mg1Cd4Cu4As4H4O20
37
6
455.36
mp-1177594
14.396261
7.629971
-6.49279
other
Li12Mn4Fe4Co4P12O48
84
6
911.45
mp-757146
9.588786
3.660415
-8.634081
other
Li12Mn2Fe2P4C4O28
52
6
560.31
mp-2242141
10.747093
10.128119
1.673047
other
Ba1Y1Mg1Cr1Cu1O5
10
6
157.6
mp-766535
9.994284
4.057199
-7.638763
other
Li12V3Fe1P4C4O28
52
6
558.36
mp-766533
9.747968
3.850087
-8.372437
other
Li12Cr3Fe1P4C4O28
52
6
559.63
mp-766534
9.668078
3.778745
-8.366117
other
Li12Cr1Fe3P4C4O28
52
6
553.35
mp-861267
9.918266
3.975213
-7.815609
other
Li12Mn1V3P4C4O28
52
6
561.98
mp-753777
9.546977
3.62084
-8.496688
other
Li6Fe1Co1P2C2O14
26
6
267.79
mp-766814
9.512286
3.669368
-8.656452
other
Li12Mn1Co3P4C4O28
52
6
548.99
mp-768847
9.425628
3.869123
-8.216663
other
Na10Li2Ni4P4C4O28
52
6
608.66
mp-766513
9.402822
3.830008
-8.651803
other
Li12Mn1Ni3P4C4O28
52
6
538.18
mp-1227794
7.081102
9.898721
0.614576
other
Ba1Sr1Ca2Tl1Cu3O9
17
6
232.4
mp-764707
14.400218
7.628434
-6.488627
other
Li12Mn4Fe4Co4P12O48
84
6
910.66
mp-2240418
11.675138
9.90835
2.13872
other
Ba1Y1Mg1Ti1Cu1O5
10
6
156.41
mp-757178
9.524431
3.647524
-8.716756
other
Li12Mn2Co2P4C4O28
52
6
555.31
mp-753882
9.721085
3.729453
-8.289786
other
Li6Mn1V1P2C2O14
26
6
281.33
mp-753761
9.637623
3.687589
-8.575717
other
Li6Mn1Cr1P2C2O14
26
6
281.88
mp-1228542
12.126539
6.577797
0.165891
other
Ba2Sr3Ca1Mg2Si4O16
28
6
375.11
mp-977011
8.252032
1.529276
-4.103109
other
H3Pb1C1I3N1F3
12
6
274.68
mp-1178079
9.707582
3.79414
-8.495728
other
Li12Mn1Cr3P4C4O28
52
6
562.44
mp-1233740
8.884938
1.785969
1.922481
other
Ba6Mg1Sc2C2O6F14
31
6
541.61
mp-766539
9.428697
3.805566
-8.594047
other
Li12Fe1Ni3P4C4O28
52
6
535.23
mp-1235047
8.061157
9.971943
1.638434
other
Ba2Li1Sm1Co1Cu2O7
14
6
191.48
mp-766677
9.504171
3.702948
-8.546237
other
Li12V1Ni3P4C4O28
52
6
541.31
mp-757109
9.675266
3.689108
-8.269337
other
Li12V2Co2P4C4O28
52
6
552.69