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-1110702
1.190993
2.228256
-5.804636
other
Rb2Na1Nd1Cl6
10
225
331.45
mp-1112998
1.238097
2.340032
-5.978847
other
Cs2Li1Tm1Cl6
10
225
282.61
mp-1110761
-1.24813
2.675056
-2.493376
other
Rb2Y1Cu1I6
10
225
414.93
mp-1112957
8.132807
1.255655
0.997332
other
Cs2Hg1Sb1F6
10
225
245.52
mp-556264
8.862211
0.755004
1.107508
other
K1Rb2Cr1F6
10
225
168.63
mp-1205512
8.063224
7.080095
-2.491993
other
K1Ba2I1O6
10
225
167.23
mp-1114027
-0.439174
1.261782
-4.624867
other
Rb2Li1Tl1Br6
10
225
340.25
mp-1111511
1.502065
2.535512
-5.424497
other
Na2Cu1Au1Cl6
10
225
241.93
mp-1112935
-1.356767
2.616641
-2.564252
other
Cs2Ta1Ag1I6
10
225
415.77
mp-1112411
8.504922
0.774242
1.38439
other
Rb2Al1Hg1F6
10
225
176.04
mp-1113732
8.67625
0.731138
1.248744
other
Rb2Li1Ga1F6
10
225
144.5
mp-1111084
8.39583
1.127618
1.448951
other
Na2Sc1Au1F6
10
225
176.28
mp-989570
1.320122
2.556108
-5.934975
other
Cs2Ca1Sn1Cl6
10
225
344.46
mp-1110626
9.147139
0.441312
0.499643
other
Rb1Na2Co1F6
10
225
172.44
mp-6613
9.49636
9.755227
3.552683
other
Ba2Y1Ta1O6
10
225
155.96
mp-1112619
1.578753
2.748119
-5.721517
other
Cs2As1Au1Cl6
10
225
292.59
mp-1213766
7.800238
2.415051
-2.831451
other
Cr1H12C8F8
29
225
251.49
mp-1112422
1.182302
2.259042
-5.795249
other
K2Nd1Au1Cl6
10
225
326.13
mp-558895
8.847296
1.329837
1.450308
other
Cs2K1V1F6
10
225
196.56
mp-1113450
1.248223
2.37537
-5.885733
other
Rb2Tm1Au1Cl6
10
225
307.04
mp-1521551
10.258441
8.896749
2.439775
other
Sr2Ce1Si1O6
10
225
131.81
mp-1110739
-0.321092
1.028801
-4.333024
other
Rb2Na1Pr1Br6
10
225
392.14
mp-1113936
8.275167
1.135795
0.702227
other
Rb2Hg1Ru1F6
10
225
228.23
mp-1110687
1.148546
2.155222
-5.677955
other
Rb2Pr1Cu1Cl6
10
225
298.19
mp-24411
3.493678
-0.655308
-2.469584
other
K4Li2Al2H12
20
225
233.71
mp-1113747
8.759659
0.669919
1.460876
other
Rb2Li1Al1F6
10
225
139.25
mp-1521167
11.410995
9.964392
2.273769
other
Sr2Nb1Sn1O6
10
225
139.33
mp-1110676
1.428053
2.730506
-5.385757
other
Rb2Cu1Mo1Cl6
10
225
255.97
mp-1111787
-1.230488
3.063462
-3.045001
other
Rb2Tl1Au1I6
10
225
440.79
mp-1111008
8.431028
0.958596
0.454541
other
K1Na2Pd1F6
10
225
180.77
mp-1110857
8.320188
1.438722
1.022431
other
K2Ta1Ag1F6
10
225
265.53
mp-1110703
-0.687057
1.285066
-4.419533
other
Rb2Na1Mo1Br6
10
225
339.08
mp-1111790
-1.281055
2.959939
-3.027512
other
Rb2Sb1Au1I6
10
225
433.52
mp-1209464
-0.347662
0.762404
-3.878189
other
Rb8Zr6B1Br20
35
225
1,247.34
mp-1114111
-0.368398
0.99434
-4.433944
other
Rb2Sc1Tl1Br6
10
225
398.81
mp-1213864
-4.84294
-2.670617
-4.104293
other
Cd2Ga2Ag4Se8
16
31
433.66
mp-1044725
11.693649
11.333485
0.739419
other
Ca2Pr2V4O12
20
31
236.9
mp-1043921
5.950794
11.144908
-0.338889
other
La2Zn2Fe4O12
20
31
228.27
mp-1221064
7.767926
9.869419
0.47415
other
Na2Eu2Ti4O12
20
31
231.88
mp-849544
10.324311
1.964236
2.17072
other
Li16Fe12O4F32
64
31
744.35
mp-1188558
-4.627951
-1.159793
-5.849523
other
Fe2Cu4Si2S8
16
31
289.44
mp-649774
-3.913763
-1.615453
-5.630018
other
Cu4Sb4Pb4S12
24
31
576.07
mp-1044499
10.482103
9.355977
0.829666
other
Pr2Zn2Sn4O12
20
31
279.98
mp-1216250
10.906782
7.791091
2.86938
other
Y16U4S20O12
52
31
1,010.91
mp-18968
13.766458
8.014444
-0.874149
other
Li8Fe4Si4O16
32
31
324.48
mp-755669
7.291723
11.807059
-1.369614
other
Li4Al2Ni2O8
16
31
168.76
mp-1218069
5.84735
10.926007
0.053776
other
Sr2Pr2Fe4O12
20
31
243.09
mp-568970
1.54952
2.655285
-5.616843
other
K6Sn2Ir2Cl16
26
31
758.93
mp-1210929
-4.8722
-2.60535
-3.933491
other
Mn2Ag4Sn2Se8
16
31
443.92
mp-1211190
13.401308
9.174324
-0.987337
other
Li2Fe4Si2O8
16
31
184.81
mp-7688
11.862454
7.442789
-0.973603
other
Li4Cd2Ge2O8
16
31
195.92
mp-759970
10.443747
1.135688
1.630499
other
Li16Mn12O4F32
64
31
735.58
mp-1239139
-5.127217
-0.272859
-5.62149
other
Ta2Cr6Cu4S16
28
31
572.04
mp-1205334
-4.559852
-1.302332
-5.934974
other
Mg2Cu4Si2S8
16
31
303.15
mp-1239138
-5.556888
-0.119755
-5.70887
other
Ta2Cr6Cu4S16
28
31
475.32
mp-1041120
9.107924
12.180582
0.940203
other
Ho2Zn2Cr4O12
20
31
213.51
mp-725997
8.970631
5.736759
-6.098056
other
Cd2P2N2O10
16
31
235.72
mp-1041153
6.093759
11.763752
-1.134891
other
Ho2Zn2Ni4O12
20
31
205.13
mp-817993
8.320889
7.713989
-4.814557
other
Co2P2N2O10
16
31
221.98
mp-27047
14.363109
7.191556
-5.847523
other
Li4Cu2P2O8
16
31
167.89
mp-781825
9.963651
10.251101
-1.005967
other
Li18Cu4H8O16
46
31
446.57
mp-1193391
6.782093
6.36593
-4.079281
other
Co2P2N2O20
26
31
474.72
mp-756200
12.031161
7.451921
-1.637144
other
Li8Si4Ni4O16
32
31
333.24
mp-754873
15.278473
6.981169
-2.097678
other
Li8V4B4O16
32
31
301.66
mp-1041214
5.931336
10.941088
-0.066218
other
Ca2Ho2Fe4O12
20
31
226.61
mp-1105189
-3.758359
-0.925674
-5.467621
other
Cu4Ag2P2S8
16
31
300.54
mp-1190490
10.03919
9.593788
-1.971708
other
Na2U2Te4O16
24
31
374.02
mp-734034
9.214489
4.744971
-4.208395
other
V2H20S2O20
44
31
617.88
mp-1048854
10.670553
9.375737
0.748543
other
Ho2Zn2Sn4O12
20
31
265.44
mp-764402
10.740141
8.238894
-7.576644
other
Mn2Fe2P4O16
24
31
292.16
mp-1041076
9.048162
11.945699
1.258613
other
Ho2Mg2Cr4O12
20
31
209.93
mp-1194001
11.346285
7.452584
0.553292
other
Pr8P2Cl2O16
28
31
459.69
mp-863421
13.934919
8.219586
-0.90166
other
Li12V6Si12O36
66
31
739.31
mp-1219552
10.59817
12.070601
2.462668
other
Rb2Ti6Nb2O18
28
31
376.27
mp-1048852
8.602729
11.587793
1.711595
other
Ca2La2Cr4O12
20
31
232.75
mp-1049287
10.797005
9.310786
0.902974
other
Ho2Mg2Sn4O12
20
31
256.49
mp-1194621
4.151542
3.720843
-3.911179
other
Co4I6N12O6
28
31
502.45
mp-1223312
10.585538
12.068538
2.462905
other
K2Ti6Nb2O18
28
31
371.94
mp-9066
11.990377
7.317977
-4.345733
other
Na2Li4As2O8
16
31
193.91
mp-770663
13.065524
5.941624
-2.905383
other
Li4Fe2B2O8
16
31
149.57
mp-1239232
-5.390759
-0.13157
-5.692873
other
Ta2Cr6Ag4S16
28
31
509.06
mp-1239249
-5.422638
-0.104163
-5.695459
other
Nb2Cr6Ag4S16
28
31
505.27
mp-6449
-4.553537
-1.351225
-5.888509
other
Cd2Cu4Si2S8
16
31
312.71
mp-1188784
-3.82909
-1.480201
-5.772666
other
Li4Cd2Sn2S8
16
31
374.14
mp-1106310
-4.423168
-1.378371
-6.019128
other
Cu4Si2Hg2S8
16
31
307.66
mp-1043900
5.972528
10.993799
0.090018
other
Ca2La2Fe4O12
20
31
238.22
mp-1247017
-5.062167
-0.516131
-5.536694
other
Zr4Cr4Cu4S16
28
31
517.78
mp-1044753
8.86686
11.825392
1.227132
other
Pr2Zn2Cr4O12
20
31
222.44
mp-1275338
6.925605
10.923237
1.370307
other
Sr4La4Co4O16
28
31
379.38
mp-1227099
11.548239
10.376901
2.637038
other
Ca2Y2Ti4O12
20
31
231.66
mp-1239215
-5.511842
-0.146096
-5.643278
other
Ta2Cr6Cu4S16
28
31
468.1
mp-766231
13.950449
8.200515
-0.887257
other
Li12V6Si12O36
66
31
738.37
mp-1246997
-5.438979
-0.056033
-5.768141
other
Nb2Cr6Ag4S16
28
31
503.59
mp-1220916
12.635708
12.340192
-2.479225
other
Na2V4O8F2
16
31
214.85
mp-1247013
-4.898251
-0.471957
-5.641031
other
Zr4Cr4Ag4S16
28
31
543.85
mp-1105265
9.219544
6.087738
-6.494895
other
Mg2P2N2O10
16
31
210.16
mp-1219355
-4.638575
-2.672683
-4.158426
other
Si2Ag12Hg2Se12
28
31
706.64
mp-1044443
10.709878
9.346421
0.783581
other
Ca2Pr2Sb4O12
20
31
294.21
mp-1211010
6.82874
6.524228
-4.035549
other
Ni2P2N2O20
26
31
431.1
mp-12797
12.596203
6.314929
-0.782591
other
Ba2Be4Si4O14
24
31
267.49