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-780362
6.444539
5.919944
-3.572922
other
La2Cl6O24
32
161
526.16
mp-542054
11.247859
7.547077
-4.076852
other
Hg18P8O32
58
161
896.49
mp-998543
11.369914
10.682023
1.053184
other
Ca2Tc2O6
10
161
119.53
mp-989524
0.832618
2.631727
1.851328
other
La2W2N6
10
161
130
mp-8007
11.686389
9.019139
1.978914
original
Li2U2O6
10
161
126.89
mp-1199459
8.087722
6.269462
-5.182338
other
Yb16S24O96
136
161
2,426.85
mp-1104271
-3.726019
-1.32423
-5.611362
other
Ag6Sb2S6
14
161
367.1
mp-23683
9.001699
2.116511
-4.599945
other
H12C6O6
24
161
219.72
mp-1216392
12.405087
12.656769
-0.606314
other
V2Cr2O6
10
161
99.7
mp-768310
9.562263
8.506519
1.219981
other
La2Bi2O6
10
161
174.44
mp-998606
-0.394379
1.230244
-4.662632
other
Rb2Tl2Br6
10
161
393.95
mp-4514
10.544817
11.82511
3.188876
other
Na2Nb2O6
10
161
121.69
mp-560086
-2.905632
-2.373027
-5.795854
other
Nd8Ge6S24
38
161
870.97
mp-772186
6.44546
5.902898
-3.576875
other
Tm2Cl6O24
32
161
452.95
mp-705354
13.177689
7.902177
-7.914719
other
Mn8P6O24
38
161
532.52
mp-1203590
11.255116
5.665291
-2.850924
other
Ho2B12O24
38
161
433.24
mp-4431
-3.776846
-1.211205
-5.466587
other
Ag6As2S6
14
161
303.31
mp-850194
9.901567
13.046057
-0.014336
other
Ti2Ni2O6
10
161
100.01
mp-1216763
12.896403
11.752932
0.50209
original
Ti2V2O6
10
161
103.87
mp-1219626
6.570427
6.681882
-3.79442
other
Rh2Cl6O42
50
161
721.88
mp-1196638
-2.889713
-2.295613
-5.829939
other
Gd8Ge6S24
38
161
840.6
mp-998750
1.497433
2.657875
-5.635098
other
K2Ag2Cl6
10
161
255.93
mp-1202527
11.214586
5.650239
-2.857564
other
Gd2B12O24
38
161
453.1
mp-770754
6.455245
5.923425
-3.582089
other
Ho2Cl6O24
32
161
461.78
mp-730190
9.564034
1.69982
-3.946106
other
H32N8F8
48
161
329.44
mp-998324
1.14294
2.226851
-5.751352
other
Rb2Ca2Cl6
10
161
305.22
mp-1219630
-2.683192
0.743439
-3.586062
other
Re12Se14Br8
34
161
971
mp-998753
1.254167
2.549453
-5.746681
other
Rb2In2Cl6
10
161
322.54
mp-1078358
8.162271
11.500068
0.145365
other
Li2Os2O6
10
161
98.52
mp-1203225
7.684686
7.484912
-4.200381
other
Al4Se6O24
34
161
491.25
mp-28680
-0.387771
1.156051
-4.387471
other
K6Ga6Br24
36
161
1,270.5
mp-1001793
1.524299
2.600304
-5.605643
other
K2Co2Cl6
10
161
234.19
mp-996940
0.807148
2.067975
2.182406
other
Ti2Re2N6
10
161
106.79
mp-998457
8.356103
1.338772
1.295564
other
Cs2Sn2F6
10
161
227.8
mp-768166
6.432261
5.927927
-3.574582
other
Dy2Cl6O24
32
161
466.11
mp-1101165
6.693004
8.891006
-1.195142
other
Yb2Bi2O6
10
161
151.05
mp-677284
8.533007
10.9579
-2.894721
other
Ca22Cr14O56
92
161
1,309.18
mp-759066
8.905822
0.777484
-0.043761
other
Li2Ag2F6
10
161
130.29
mp-31476
-0.030016
0.779805
-0.798723
other
Cs6H6C12
24
161
598.44
mp-1196898
-3.027182
-2.2584
-5.926883
other
Sm8Si6S24
38
161
827.22
mp-19270
11.94589
12.57004
0.62289
other
Ti2Fe2O6
10
161
102.29
mp-1078668
6.252986
11.401083
-1.541183
other
Ni2Pb2O6
10
161
117.63
mp-20282
8.102778
0.760416
1.37482
other
Cs2Pb2F6
10
161
220.03
mp-1224632
-6.941942
-3.502015
0.198592
other
Ge4Te8Pd32
44
161
740.26
mp-768221
9.642037
8.487598
1.165412
other
Y2Bi2O6
10
161
160.11
mp-752764
10.125145
2.91388
1.922639
other
Li2V2F6
10
161
107.34
mp-1120737
9.678782
8.51574
2.76687
other
Li2La4O7
13
162
263.91
mp-1047842
12.708861
10.399583
-0.195007
other
Ba1Mo4O8
13
162
238.41
mp-754517
-1.195275
2.003446
-1.905585
other
Sr1Ca2I6
9
162
402.29
mp-9125
9.8472
9.917935
-0.644793
other
Ca1Sb2O6
9
162
120.22
mp-1079825
7.570124
9.305243
-1.24342
other
Ca1Ti2O6
9
162
116.62
mp-1078318
10.100194
11.257091
-0.726358
other
Mn4Sb8O24
36
162
435.93
mp-20015
11.283916
7.996081
-3.673532
other
As2Pb1O6
9
162
114.43
mp-1222989
-7.0748
-4.790399
5.666241
other
La2Er8Ge6
16
162
409.08
mp-1079784
7.755411
11.265099
0.090032
other
Sr2Ru4O12
18
162
247.93
mp-1222161
-6.768721
-0.95081
3.655766
other
Mn8Fe2Ge6
16
162
222.26
mp-9127
9.776482
9.718952
-0.507825
other
Ba1Sb2O6
9
162
142.98
mp-30284
11.21614
8.111316
-3.823457
other
Hg2As2O6
10
162
157.82
mp-1412406
6.462302
11.138568
-1.495322
other
Ba1Fe4O8
13
162
211.11
mp-570238
-3.304283
-3.647798
0.393558
other
P10Au7I1
18
162
373.81
mp-22286
6.696358
9.145472
-1.292433
other
Ag5Pb2O6
13
162
198.66
mp-1079829
7.402085
9.400927
-1.478985
other
Ti2Cd1O6
9
162
109.8
mp-7128
11.289725
7.981417
-3.905976
original
Cd1As2O6
9
162
99.84
mp-754118
11.47384
7.835117
-3.85375
other
Sr1As2O6
9
162
112.35
mp-676749
1.400629
2.049869
-5.113136
other
Li2U1Cl6
9
162
210.92
mp-1120766
9.530235
8.425837
2.708243
other
K2La4O7
13
162
273.15
mp-1216643
-6.072161
-0.949468
3.786225
other
V10Si6B1
17
162
211.53
mp-1120771
8.715612
13.082479
-1.090125
other
Na2Fe4O7
13
162
160.14
mp-19384
10.833131
8.217132
-4.170597
other
Ni1As2O6
9
162
87.32
mp-768846
8.966308
12.655694
-0.745692
other
Rb2Fe4O7
13
162
175.95
mp-754710
-1.203629
1.989846
-1.827955
other
Sr2Ca1I6
9
162
413.71
mp-9752
9.267394
1.767437
1.417255
other
Li2Nb1F6
9
162
103.17
mp-1041288
10.194202
11.509693
-1.819404
other
Ba1Cr4O8
13
162
217.1
mp-28357
8.444818
1.84704
0.549784
other
Nb1Hg3F6
10
162
171.08
mp-765499
10.054151
1.933172
1.744654
other
Li3V1F6
10
162
106.9
mp-1207124
8.403797
1.793756
0.523906
other
Ta1Hg3F6
10
162
170.86
mp-22544
12.622836
12.012046
-0.028433
other
U1V2O6
9
162
103.31
mp-1041292
6.740734
11.037406
-1.436088
other
Ba1Co4O8
13
162
209.56
mp-6915
10.784985
8.382157
-3.971176
other
As2Pd1O6
9
162
95.16
mp-19292
11.050193
8.108754
-4.406972
other
Co1As2O6
9
162
88.74
mp-753667
10.099645
1.653964
0.7348
other
Li2V1F6
9
162
95.47
mp-1225222
-4.659766
-1.456324
-5.793086
other
Er2Cu6S6
14
162
239.28
mp-1220750
-5.685442
-2.192265
3.513871
other
Nb10Ge6C1
17
162
273.72
mp-1212727
4.341434
2.478858
-3.303628
other
Fe1C6N6
13
162
243.84
mp-1217381
-5.761113
-3.247944
3.477619
other
Ti10Cu1Sn6
17
162
317.34
mp-569185
1.449059
3.161914
-4.856598
other
K2W6Cl18
26
162
647.32
mp-1041312
7.239748
11.23098
-1.172464
other
Ba1Mn4O8
13
162
214.57
mp-22172
11.299879
12.390153
-0.049423
other
U1Cr2O6
9
162
104.44
mp-675140
10.987511
11.244035
-2.695616
other
K1W6O18
25
162
362.41
mp-1178465
10.88816
7.911642
-3.96989
other
Cs2As2O6
10
162
219.98
mp-1211505
-0.305547
0.581892
-3.765168
other
Li3U3Br12
18
162
594.92
mp-27862
10.857076
11.504827
2.283958
other
U1Ta2O8
11
162
133.74
mp-1205984
6.871584
7.78463
-3.320169
other
Na2Pt1O6
9
162
117.4
mp-1047467
7.721491
8.834105
-1.095703
other
Ba1Bi4O8
13
162
282.01
mp-19409
11.434293
8.161507
-4.367426
other
Mn4As8O24
36
162
375.66
mp-752557
10.032852
0.27235
-0.229337
other
Li2Mn1F6
9
162
93.36
mp-1180647
6.89615
7.783571
-3.343356
other
Li2Pt1O6
9
162
96.28
mp-1215691
-5.903903
-3.375065
4.114361
other
Zr10Al6O1
17
162
331.93
mp-4555
11.328553
7.857206
-3.82414
other
Ca1As2O6
9
162
103.84
mp-1216135
-5.19618
-4.524939
5.900382
other
Y8Zr2Si6
16
162
376.1