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-1226234
13.405367
5.965406
-7.466067
other
Cs2Ti6P10O38
56
9
829.29
mp-764791
13.473766
7.239255
-0.781734
other
Li8Mn4Si8O24
44
9
543.89
mp-1220774
-3.445546
-4.647885
0.723523
other
Na10Sr2Ta2P8
22
9
548.09
mp-2715784
14.205091
3.624138
-8.569061
other
Nb12Si12S6O72
102
9
1,587.17
mp-1227412
2.625259
2.272266
1.879724
other
Be2Al2Si2N6
12
9
109.96
mp-673144
11.786942
7.353573
-7.308151
other
Li4Sn4P8O28
44
9
574.16
mp-753867
9.400107
8.026145
-5.949922
other
Li2Mn2P4O16
24
9
304.19
mp-757306
11.274896
7.710093
-7.174141
other
Li2Cu2P8O24
36
9
492.09
mp-1195810
7.573713
6.61131
-3.046982
other
Y4Ag4I16O48
72
9
1,138.6
mp-1218545
11.992542
7.970102
-4.527436
other
Sr4V2As4O18
28
9
381.1
mp-26335
12.235593
7.60524
-7.553082
other
Li2Fe2P8O24
36
9
503.83
mp-1258227
6.987117
9.65828
-0.058371
other
Ca4Al2Ag2O10
18
9
240.91
mp-1177533
13.734441
8.667648
-5.52926
other
Li6P10W8O48
72
9
993.02
mp-1048915
14.231197
7.309071
-6.689812
other
Ca4Mn8P8O32
52
9
685.02
mp-861538
13.377805
12.424214
-0.451698
other
Li8V4O8F4
24
9
227.57
mp-759994
11.9602
8.866471
-7.894588
other
Li10V6P16O58
90
9
1,185.01
mp-765980
12.016974
7.292527
-1.729246
other
Li8Cu2Si4O14
28
9
292.46
mp-1046382
7.371485
10.429267
0.850341
other
Sr4Al2Cu6O14
26
9
327.21
mp-1101532
10.13247
8.128172
-6.506758
other
Li2Cr4P6O24
36
9
440.25
mp-6318
10.310424
4.213424
-7.17378
other
K2Li2S2O8
14
9
207.53
mp-755994
10.903329
7.34165
-2.208887
other
Li2Co2Si4O12
20
9
264.71
mp-849951
10.241194
2.197281
2.296253
other
Li4Fe8O2F16
30
9
354.89
mp-504246
11.929651
7.47463
-7.461846
other
Li16Ni16P16O64
112
9
1,384
mp-764593
10.30517
1.962371
2.225832
other
Li6Fe6O2F14
28
9
331.24
mp-1227827
12.446642
8.701575
-5.092821
other
Ba4V8As8O40
60
9
828.09
mp-26439
14.539984
8.616866
-4.609483
other
Li6Mo4P6O24
40
9
497.22
mp-1020896
13.717637
4.400373
-2.228358
other
Rb8Ge6B12O34
60
9
855.95
mp-555195
11.831952
8.655266
-5.947469
other
Ba2Mo4P6O28
40
9
541.91
mp-772421
8.769624
11.798374
-0.127049
other
K2Li4Fe2O6
14
9
178
mp-1661410
8.349653
14.839348
-1.003082
other
Li4Mn6Fe2O16
28
9
284.98
mp-761911
12.845087
7.099123
-6.969888
other
Li4Cu2P8O24
38
9
497.82
mp-754677
8.578067
13.569953
-0.49941
other
Li8Fe4O8F4
24
9
227.93
mp-1251416
8.49834
8.202868
-3.038613
other
Mg2Fe2Si2O10
16
9
172.38
mp-696347
10.261019
4.274251
-5.343454
other
Na2H6S2O10
20
9
224.47
mp-752430
13.16128
7.441124
-0.79059
other
Li16Mn4Si8O28
56
9
601.82
mp-1223021
10.603451
11.485039
-2.106235
other
Li8U4W4O28
44
9
551.12
mp-1227394
12.685061
4.197188
-3.055264
other
Be4B2H6O10
22
9
185.2
mp-1289063
10.127009
0.557083
0.988747
other
Li20Ni4O4F20
48
9
531.44
mp-1194424
11.623207
5.608119
-2.79558
other
La2B8Cl2O16
28
9
357.81
mp-1202493
9.564262
7.225706
-2.573566
other
Ca2Al4Si6O26
38
9
566
mp-765686
10.225463
0.64803
0.349346
other
Li4Co8O2F16
30
9
335.54
mp-758625
7.926657
4.475962
-6.653236
other
Li2Co4C4O14
24
9
313.17
mp-1221207
-3.366115
-4.659805
0.733084
other
Na8Ca4Si2P8
22
9
508.6
mp-775335
9.438535
14.070397
-0.902813
other
Li4Cr6Fe2O16
28
9
285.23
mp-758175
8.39434
3.868426
-7.073412
other
Li2V4C8O24
38
9
412.32
mp-2713207
13.024766
5.107561
-7.927741
other
Ti12P12S6O72
102
9
1,421.82
mp-772210
14.779803
7.727484
-5.596283
other
Li4Fe4P4O16
28
9
359.32
mp-1226440
13.331663
6.125962
-0.578784
other
Cs2Al2Si10O24
38
9
618.13
mp-1210734
10.907151
12.169948
-3.381763
other
Na18Pr6V12O48
84
9
1,215.53
mp-31729
13.297578
7.856889
-7.587929
other
Li6Cr4P6O24
40
9
461.14
mp-759166
11.402843
-0.332873
0.459224
other
Li2Mn2O2F4
10
9
106.98
mp-764043
8.243038
15.354103
-0.785832
other
Li6Mn6Ni2O16
30
9
280.03
mp-1214680
11.430065
12.060764
-3.075795
other
Ba4V4Cu2Cl2O14
26
100
456.5
mp-1214336
12.60146
5.778662
-1.662016
other
Ba2Sm2Cu2B2O10
18
100
231.87
mp-1214316
12.550256
5.925445
-1.616986
other
Ba2Tb2Cu2B2O10
18
100
227.14
mp-10350
12.557067
5.813824
-1.571759
other
Ba2Nd2Cu2B2O10
18
100
236.3
mp-558848
12.075118
6.666166
-1.063638
other
Ba8Mn4Si8Cl4O28
52
100
818.04
mp-1214529
12.564697
5.933516
-1.623253
other
Ba2Gd2Cu2B2O10
18
100
229.19
mp-1223530
8.34537
11.151149
1.461767
other
K2Sr4Nb8Fe2O30
46
100
630.76
mp-14970
12.526635
5.68905
-1.563036
other
Ba2La2Cu2B2O10
18
100
240.81
mp-765665
11.056624
3.543625
-4.643176
other
V2P4H16N4O16
42
100
412.56
mp-694891
9.018554
1.83474
0.391341
other
K2Rb4Mo2O6F6
20
102
379.53
mp-690372
9.139902
1.993578
0.284732
other
K4Na2Mo2O6F6
20
102
314.94
mp-1224714
12.405706
5.261378
-2.431307
other
K2Sr8Si16H34O58
118
104
1,412.34
mp-1218164
8.289037
9.738408
2.019446
other
Sr1La1Nd1Cu2O6
11
107
149.69
mp-40143
8.332078
1.054847
1.864528
other
Cs2K1Zr1O1F5
10
107
212.5
mp-1228366
7.519432
9.715251
0.182039
other
Ba2Tl2Cu2Hg1O8
15
107
226.86
mp-1223595
13.847794
8.195438
-0.858504
other
K1Cr12Si8Cl1O28
50
107
734.39
mp-42227
8.344697
1.083577
1.735023
other
Cs2Zr1Tl1O1F5
10
107
225.54
mp-2229285
8.20435
11.367739
1.985962
other
Sr4Mg1Mn3Cl2O8
18
107
287.03
mp-2228288
11.064952
9.607428
1.576202
other
Sr2Mg1Cu1O2F2
8
107
132.46
mp-1225836
9.650926
8.334428
-0.543856
other
Cu4Bi3Pb1Se4O4
16
107
293.18
mp-1218360
6.056966
11.465045
0.609449
other
Sr3Ca1Mn2Fe1O10
17
107
208.07
mp-2224761
-0.586634
2.103923
-2.369911
other
Sr2Mg1Cu1I2O2
8
107
220.06
mp-1235806
10.785187
10.198431
1.246579
other
Sr2Li1Fe1O3F1
8
107
114.38
mp-1223609
13.83625
8.183985
-0.846097
other
K1Cr12Si8Br1O28
50
107
738.75
mp-619126
8.179523
9.252136
0.643877
other
Ba2Tl1Cu1Hg1O5
10
107
183.93
mp-1227333
8.500737
1.455959
1.202075
other
Ba1Sr1Pd1O2F2
7
107
117.78
mp-1218815
7.944174
11.517248
1.928569
other
Sr2Gd1Mn1Cr1O7
12
107
150.67
mp-1218840
8.421948
10.279877
1.233377
other
Sr2Fe1Bi1Pb1O6
11
107
172.27
mp-24461
8.676991
1.45131
-4.291103
other
H12Os1N5Cl3O1
22
107
252.05
mp-1079737
3.665936
3.583582
-3.924886
other
Os1I1N5Cl2O1
10
107
183.59
mp-1221100
10.732982
10.481966
2.080689
other
Na1Ca1Nb3Bi2O12
19
107
255.86
mp-1277516
7.869716
11.481288
1.925975
other
Ba2Y2Mn2Co2O10
18
107
240.98
mp-684784
11.112803
7.79365
3.06818
other
Sr1Nd7Fe8As8O8
32
107
629.18
mp-1221115
13.8435
8.2089
-0.841628
other
Na1Cr12Si8Br1O28
50
107
721.58
mp-1221145
13.856238
8.220219
-0.854398
other
Na1Cr12Si8Cl1O28
50
107
721.22
mp-1228469
7.124239
11.018957
1.301405
other
Ba2Y2Co3Cu1O10
18
107
235.98
mp-1218216
10.998379
7.794147
3.07498
other
Sr1Nd3Fe4As4O4
16
107
319.25
mp-1218341
6.063539
11.474112
0.606078
other
Sr3Ca1Mn2Fe1O10
17
107
209.25
mp-556016
4.318318
2.538205
-3.415339
other
Fe1Cu1C5N6O1
14
107
281.75
mp-40204
8.449264
1.310054
1.537372
other
K1Zr1Tl2O1F5
10
107
200.19
mp-1218403
9.293156
10.529391
1.369541
other
Sr3Fe1Co1Cl2O4
11
107
188.37
mp-1223593
6.121881
11.333244
0.302935
other
K1Ba3Y2Co6O16
28
107
357.93
mp-1227696
9.412043
8.530772
2.673065
other
Ba1Sr2Sc1In1O6
11
107
180.26
mp-42190
8.738105
1.184343
1.45647
other
K2Na1Ti1O1F5
10
107
152.04
mp-2228100
8.042592
8.991389
0.983979
other
Sr2Mg1Cu1Br2O2
8
107
200.41
mp-42022
8.327657
0.994268
1.83876
other
Cs2Rb1Zr1O1F5
10
107
225.06
mp-39843
9.157782
1.440309
1.363355
other
K8Na4V4O4F20
40
107
602.55
mp-1228212
7.797905
9.475718
1.59506
other
Ba3Sr1Sm2Cu6O12
24
107
362.65