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-505108
10.10828
2.513894
-2.761067
other
Fe4Sn4H48O24F24
104
148
1,179.95
mp-1205471
11.516711
11.032621
-3.755578
other
K10Hf3Mo12Pb1O48
74
148
1,323.87
mp-40134
10.17235
2.453666
-2.82782
other
Zn1Si1H12O6F6
26
148
259.82
mp-1181111
8.414471
7.490546
-4.33081
other
K3Yb1B2P2O14
22
148
360.88
mp-637295
4.122005
2.539769
-3.307131
other
Zn6Fe6C30N36O6
84
148
1,897.05
mp-1218677
14.32081
5.158838
-7.545141
other
Sr1Ca3Zr16P24O96
140
148
2,130.6
mp-643797
8.196248
6.296434
-3.195542
other
K10Hf3Mo12Pb1O48
74
148
1,335.62
mp-1173402
10.067416
2.616714
-2.875865
other
Ni1Ge1H12O6F6
26
148
269.55
mp-1019555
13.825692
4.17386
-2.246825
other
Ba2Na2Li6B12O24
46
148
501.14
mp-1200443
11.526769
4.80169
-5.427127
other
Ca1Sn1P6H12O12
32
148
429.8
mp-1182342
13.370977
4.583056
-1.503065
other
Ba2Na2Y2B4O12
22
148
307.99
mp-1181370
8.848739
7.329727
-4.407865
other
K3Lu1B2P2O14
22
148
346.29
mp-1221856
12.753698
6.699405
-7.501623
other
Mn1Al2Sb2P6O24
35
148
442.3
mp-1196748
9.074263
6.819896
-3.753156
other
Li1Mn3H6Se8O24
42
148
562.61
mp-725423
11.819697
7.833347
-7.411169
other
Mn1Fe2Sb2P6O24
35
148
462.9
mp-24376
7.930756
1.56334
-4.244912
other
Cr1Co1H18C6N12
38
148
397.2
mp-1179785
9.356289
7.449388
-5.439828
other
Rb3Ga1P6H6O18
34
148
615.8
mp-1189708
9.412147
2.661188
0.086758
other
Na3Ag3W2O6F6
20
148
287.43
mp-505405
10.077875
2.414044
-2.711848
other
Ti4Mn4H48O24F24
104
148
1,141.42
mp-1203669
8.527586
0.988253
-4.364079
other
Zr1H24C8N2F6
41
148
442.81
mp-778000
13.415404
8.356552
-7.975987
other
Li6Mn2V2P6O24
40
148
478.73
mp-704600
14.184052
6.921371
-6.622839
other
Li1Ti4Mn1P6O24
36
148
457.37
mp-39888
8.996667
12.404453
0.895763
other
Nd1Ti3Fe1Cu3O12
20
148
210.3
mp-698654
9.926578
5.006115
-7.242032
other
Na2Mg2Fe2S6O24
36
148
479.35
mp-695967
11.476449
4.130301
-5.185067
other
Ag6P12H24N6O38
86
148
962.66
mp-559039
9.685147
2.514421
-4.51483
other
P6H18Pb6C6O18
54
148
864.08
mp-24577
10.083338
2.668627
-2.849773
other
Ni4Sn4H48O24F24
104
148
1,121.72
mp-866804
10.079495
2.422502
-2.730852
other
Ti1Mn1H12O6F6
26
148
279.41
mp-1181127
10.481148
5.160241
-4.291626
other
Li2Ga3Te6H12O24
47
148
661.74
mp-1227263
8.024951
13.641291
-1.237074
other
Ca1Mn3Cu3Ru1O12
20
148
207.55
mp-1201714
9.66434
2.896798
-4.574684
other
Sc4H60C12S12O48
136
148
1,500.6
mp-685281
10.097416
2.451761
-2.694157
other
Ti1Zn1H12O6F6
26
148
273.25
mp-1227585
13.587624
6.05358
-7.452254
other
Ca1Ti8Mn1P12O48
70
148
924.08
mp-703231
11.666918
7.71056
-7.303194
other
Cd1Fe2Sb2P6O24
35
148
441.29
mp-1223398
13.744059
5.652734
-7.537036
other
K1Na1Ti4P6O24
36
148
483.42
mp-601924
8.246075
0.68079
-4.433182
other
Bi4H96C24I24N12
160
148
2,594.42
mp-698695
11.498013
7.662607
-7.325868
other
Ca1Fe2Sb2P6O24
35
148
462.61
mp-1223406
13.651649
5.699315
-7.459444
other
K1Rb1Ti4P6O24
36
148
487.26
mp-1201530
7.844304
5.302023
-5.933914
other
Ba1Na6Th1C6O24
38
148
483.18
mp-600242
8.368382
0.820965
-4.449166
other
In4H96C24Br24N12
160
148
2,150.64
mp-705900
11.653507
11.039617
-3.497782
other
Hf3Tl10Mo12Pb1O48
74
148
1,282.56
mp-24122
10.246004
2.542141
-2.941109
other
Co1Si1H12O6F6
26
148
256.69
mp-792807
13.216793
8.371432
-7.818612
other
Li12Mn4V4P12O48
80
148
828.88
mp-1266086
8.638139
5.930589
-4.276513
other
Cs4Al4H96S8O80
192
148
2,294.86
mp-505281
9.223828
5.036057
-5.826947
other
Cs1Sb1S6O18F6
32
148
475.22
mp-1205007
10.899259
8.963995
-0.669482
other
K6Sb12Te12H12O24
66
148
1,299.75
mp-704950
12.090525
6.734259
-7.337807
other
Sr2Fe2Sn2P6O24
36
148
495.59
mp-696387
10.185627
3.106945
-3.838233
other
Ca1Mg2H24Cl6O12
45
148
539.32
mp-1217444
11.632704
8.233192
-7.581287
other
Ti7P12C6N2O48
75
148
1,053.99
mp-39540
10.142041
2.447614
-2.713428
other
Cr1Si1H12O6F6
26
148
258.14
mp-1196508
7.67681
1.950126
-4.347344
other
Cr2H12C6S12N6
38
148
678.07
mp-1182298
13.4138
4.543238
-1.524143
other
Ba2Na2Sc2B4O12
22
148
282.12
mp-645189
9.010044
5.526928
-5.821003
other
Cs2K2Pt12S12O56
84
148
1,161.63
mp-542912
9.950525
3.310071
-3.854136
other
Fe2H24Pt2Cl12O12
52
148
729.56
mp-505732
7.953065
1.599837
-4.228613
other
Fe1Co1H18C6N12
38
148
384.01
mp-721943
10.290545
2.543368
-2.982994
other
Cu4Si4H48O24F24
104
148
959.07
mp-1203195
10.181817
3.035162
-3.791153
other
Mg2Cd1H24Br6O12
45
148
593.39
mp-555945
8.572051
1.006583
-4.368112
other
H24Os1C8N2F6
41
148
388.71
mp-557127
11.229067
4.30119
-3.979536
other
Cs6Na2Nb6H36O37
87
148
1,078.21
mp-40373
8.953497
2.148894
1.515557
other
In14Ga3Pt2O8F15
42
148
671.76
mp-2231811
10.622221
12.231562
1.657924
other
Mg1Ti3Nb1Cu3O12
20
148
210.52
mp-703370
12.633339
5.780881
-1.522299
other
Ca13Si10H12O34F10
79
148
954.84
mp-1227254
7.791309
11.989301
-0.217316
other
Ca1Mn1Cu3Ru3O12
20
148
212.23
mp-1188917
8.134011
3.555049
-3.595867
other
Ag2C2S2O6F6
18
148
288.23
mp-1228270
12.750718
6.323246
-0.76561
other
Ba4Ti1Si12Sn3O36
56
149
799.69
mp-567861
4.133029
2.323963
-3.201617
other
K1Ni1Au3C6N6
17
149
322.94
mp-1235376
10.012108
11.086431
-0.785303
other
Li1La2Fe2Te2O12
19
149
254.44
mp-1234219
10.505991
10.731135
-0.599428
other
La2Mg1Fe2Te2O12
19
149
271.47
mp-1211770
4.063712
2.309587
-3.170299
other
K1Cd1Au3C6N6
17
149
369.44
mp-571384
4.234461
2.289791
-3.189172
other
K1Mn1Ag3C6N6
17
149
343.39
mp-2223887
7.975715
7.562597
-2.864922
other
Na1Mg1Ni1I1O6
10
149
115.83
mp-2222843
8.076335
7.53345
-2.891626
other
K1Mg1Ni1I1O6
10
149
154.75
mp-568978
4.183668
2.346677
-3.138781
other
Rb1Cd1Ag3C6N6
17
149
380.56
mp-2239943
7.892462
7.378649
-2.906698
other
K1Mg1Ni1I1O6
10
149
126.8
mp-2222790
7.962362
7.229339
-2.961524
other
K1Mg1Ni1I1O6
10
149
139.53
mp-2222874
8.018396
7.349249
-3.017137
other
Na1Mg1Ni1I1O6
10
149
128.5
mp-1234351
10.380435
10.630036
-0.718553
other
Ca1La2Fe2Te2O12
19
149
281.95
mp-568906
4.198647
2.367712
-3.286584
other
K1Co1Au3C6N6
17
149
317.58
mp-2223065
8.005307
7.553113
-3.076524
other
Na1Mg1Ni1I1O6
10
149
136.24
mp-2232119
10.262406
11.238515
0.268113
other
Ba1Sr1Mg1Fe4O8
15
149
224.15
mp-1218231
13.55315
4.578551
-1.468374
other
Sr3Li3Y6B9O27
48
150
607.19
mp-1228226
12.910871
6.889392
-5.650558
other
Ba6Co6Te2P4O28
46
150
688.52
mp-1227930
7.292761
11.893171
2.063129
other
Ba2La2Sm2Mn6O18
30
150
370.37
mp-1190181
13.159857
6.014283
-5.799947
other
Sr3Zn3Te1P2O14
23
150
321.75
mp-16136
12.382398
6.656104
-0.112292
other
Sr3Ta1Ga3Si2O14
23
150
314.36
mp-1190340
12.126163
6.986475
-1.609923
other
Ba3Ta1Fe3Si2O14
23
150
345.21
mp-1223112
11.376292
7.817758
1.221922
other
La3Al2Ga3Sn1O14
23
150
310.27
mp-1207481
10.93298
7.592835
-3.038679
other
Zn3Sb1As2Pb3O14
23
150
350.79
mp-1190416
13.119184
6.009222
-5.683319
other
Ba3Zn3Te1P2O14
23
150
344.08
mp-31758
12.135179
6.983225
-1.608397
other
Ba3Nb1Fe3Si2O14
23
150
349.02
mp-1192249
13.077491
6.959469
-5.562951
other
Mn6Te2P4Pb6O28
46
150
667.7
mp-12881
12.282074
6.73845
-0.182559
other
Ba3Nb1Ga3Si2O14
23
150
341.85
mp-672262
11.307905
7.747423
0.128996
other
La3Zn3Ge2Sb1O14
23
150
323.28
mp-6853
12.395193
6.754447
-0.290182
other
Ca3Ta1Ga3Si2O14
23
150
293.57
mp-1208777
12.35757
6.685358
-0.138681
other
Sr3Nb1Ga3Si2O14
23
150
315.27
mp-1190411
10.782562
10.687046
-3.077615
other
V2Zn3Te1Pb3O14
23
150
352.64
mp-558298
11.246511
7.557435
-3.1912
other
Zn3Te1As2Pb3O14
23
150
332.68
mp-1214038
12.37081
6.79535
-0.318638
other
Ca3Nb1Ga3Si2O14
23
150
293.66
mp-622197
9.109591
5.018184
-5.837674
other
Cs2Pt1S6O18F6
33
150
601.57
mp-1227936
7.278455
11.874159
2.051754
other
Ba2La2Nd2Mn6O18
30
150
370.79