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-1045602
10.467349
10.017153
-0.427516
other
Y1Cu3Sb4O12
20
204
249.01
mp-1045656
9.777438
10.327944
-0.070601
other
Y1Cu3Sn4O12
20
204
236.36
mp-1105917
9.96315
12.493362
0.972396
other
Ca1Ti4Pd3O12
20
204
217.37
mp-1043063
8.059472
14.063507
-1.484143
other
Mn4Zn1Cu3O12
20
204
199.28
mp-1200504
8.156456
3.85487
-5.486576
other
Ga4H12C15O31
62
204
806.77
mp-2229993
11.5112
12.72786
0.877314
other
Mg1Ti4Fe3O12
20
204
212.23
mp-1106031
11.481568
13.450983
-1.846097
other
Na1Mn3V4O12
20
204
209.72
mp-22592
9.488325
12.342662
1.199565
other
Ca1Ti4Cu3O12
20
204
207.59
mp-1210001
9.157591
12.23973
0.831757
other
Na1Ti4Cu3O12
20
204
205.1
mp-1045770
6.939601
12.852078
-1.266684
other
Y1Fe4Cu3O12
20
204
206.32
mp-1043224
9.095997
13.472139
-1.470445
other
Ca1Cr4Cu3O12
20
204
201.13
mp-6036
7.797594
11.656808
0.042869
other
Ca1Cu3Ru4O12
20
204
210.88
mp-1181730
8.229538
14.185861
-1.233508
other
Gd1Mn4Cu3O12
20
204
204.92
mp-1105220
7.871887
11.370481
-0.553284
other
Ca1Cu3Ir4O12
20
204
213.41
mp-1045838
12.471334
11.319831
-1.19242
other
Y1Cu3Mo4O12
20
204
229.07
mp-1105546
6.773969
12.681048
-1.265315
other
La1Fe4Cu3O12
20
204
211.68
mp-570995
0.776284
1.980427
-4.975939
other
Ti4Hg24As16Cl28
72
205
1,970.84
mp-1199809
3.344415
3.225151
-3.830066
other
Tl4Co4N24Cl24
56
205
1,307.7
mp-1213906
7.353786
2.496866
-1.724817
other
Cr4Ru4N24F24
56
205
891.21
mp-24006
9.503798
4.682964
-4.162031
other
Mg4H48Br8O48
108
205
1,172.95
mp-1199122
2.607996
2.228839
1.589278
other
Li24Ca12Si24N48
108
205
1,203.96
mp-1196731
6.061742
3.081636
-3.341067
other
Sc8C24N72F48
152
205
2,287.28
mp-1204271
-3.662999
-1.642892
-5.46574
other
Hf28Tl72Pb8S100
208
205
5,559.3
mp-1180390
6.749162
5.914952
-3.538259
other
Mg4Te4I24O24
56
205
1,424.33
mp-1213629
6.925444
7.38937
-3.431962
other
Fe4S8N4O80
96
205
1,453.64
mp-728892
9.39008
4.800939
-4.100409
other
Co4H48Br8O48
108
205
1,264.31
mp-570405
0.545817
1.657974
-4.912644
other
Ti4Hg24P16Cl28
72
205
1,748.29
mp-1202143
6.176563
5.731653
-4.408965
other
Ce4Mg4N24O96
128
205
1,956.15
mp-1196033
11.257464
12.685985
-3.20646
other
Ba4Mn36V24O104
168
205
2,172.62
mp-559730
10.299369
9.318306
-2.08866
other
K4Ga4Te24O56
88
205
1,357.56
mp-651768
8.240343
2.356061
-1.013927
other
Cs8Xe24O24F104
160
205
2,972.44
mp-23592
-0.752669
2.035421
-3.671846
other
Ag8Hg28As16I24
76
205
2,505.38
mp-1202514
12.129725
6.497369
-0.481709
other
K64Ca16Si48O144
272
205
4,216.27
mp-731883
3.013618
2.992999
-3.597167
other
Bi4Br28N24F16
72
205
1,871
mp-1180545
7.137049
7.602772
-3.576737
other
Na4Al4S8O80
96
205
1,468.08
mp-1198961
2.983212
3.028821
-3.872416
other
Tl4Co4Br24N24
56
205
1,270.77
mp-1199775
6.291307
5.788873
-3.646902
other
Mg4Te4Br24O24
56
205
1,317.36
mp-1205185
11.875698
7.02079
-3.930712
other
Rb48Sc32As48O192
320
205
5,088.08
mp-1213535
7.958134
2.778992
-1.691056
other
Fe4Ru4N24F24
56
205
697.5
mp-568757
0.845288
2.130697
-4.959902
other
Hg24Mo4As16Cl28
72
205
1,933.48
mp-16464
13.0943
6.319607
-6.563296
other
Cs12In12P48O144
216
205
3,506.36
mp-1196384
7.119213
7.60751
-3.558765
other
K4Al4S8O80
96
205
1,466.25
mp-1200733
13.226025
6.399783
-6.749645
other
Cs12Ga12P48O144
216
205
3,137.88
mp-1238525
7.118893
6.476905
-4.339031
other
Al4S8N4O80
96
205
1,515.5
mp-1182920
7.152622
6.521967
-4.370595
other
Al4S8N4O80
96
205
1,586.7
mp-740737
8.62849
5.088537
-4.092251
other
Cu4H48Br8O48
108
205
1,179.55
mp-1198287
13.043839
6.222833
-6.640749
other
Na16Zn16P48O144
224
205
3,023.56
mp-569456
-0.557489
1.236183
-4.286682
other
Ti4Hg24As16Br28
72
205
2,056.34
mp-1209098
6.987224
6.448883
-4.219406
other
Tl4Cr4S8O80
96
205
1,458.06
mp-1201362
11.8957
5.202733
-2.680109
other
Na8B48N8O80
144
205
1,937.66
mp-695957
8.554703
5.514518
-4.322518
other
Ni4H48Br8O48
108
205
1,379.31
mp-571341
0.721239
1.976861
-4.973455
other
In4Hg24As16Cl28
72
205
1,925.8
mp-567910
-0.490512
1.306928
-4.321513
other
Cd4Hg24As16Br24
68
205
2,049.64
mp-1203885
-0.443198
1.273813
-4.26255
other
In4Hg24Sb16Br28
72
205
2,393.18
mp-1203391
12.041365
6.504851
-0.477349
other
K64Sr16Si48O144
272
205
4,392.59
mp-978840
2.639593
2.202193
1.571784
other
Sr12Li24Si24N48
108
205
1,226.53
mp-1212822
6.96865
6.406539
-4.219434
other
K4Cr4S8O80
96
205
1,511.88
mp-568828
-0.572675
1.225893
-4.279386
other
Hg24Bi4Sb16Br28
72
205
2,298.06
mp-1197526
14.230935
7.632286
-6.5975
other
Cs12V12P48O144
216
205
3,255.66
mp-1180537
9.051576
4.715538
-4.100344
other
Ni4H48Cl8O48
108
205
1,143.32
mp-647152
-1.114975
1.338351
-1.719582
other
Cs4Er52Co8I96
160
205
6,228.47
mp-1202540
3.03535
2.994383
-3.723073
other
Bi4Br28N24F16
72
205
2,088.68
mp-1195090
9.537367
7.03578
-3.396113
other
Cs4Y4Se8O24
40
205
722.85
mp-1181191
7.063321
6.457734
-4.283311
other
K4Al4S8O80
96
205
1,555.93
mp-1195585
10.248324
9.4289
-1.984913
other
Na4U4Te24O64
96
205
1,461.54
mp-1196753
13.18664
6.067929
-6.748085
other
Na16Mg16P48O144
224
205
3,005.98
mp-795584
7.097934
7.608858
-3.55467
other
Rb4Al4S8O80
96
205
1,465.33
mp-567301
-0.501646
1.325025
-4.293377
other
Yb4Hg24As16Br28
72
205
2,039.59
mp-727638
8.388941
5.14735
-3.986613
other
Ni4H48Cl8O48
108
205
1,372.53
mp-1179805
7.00106
6.447768
-4.254527
other
Rb4Cr4S8O80
96
205
1,607.39
mp-567486
3.386376
2.633503
0.741003
other
Ba4Sr8P24N48
84
205
1,048.3
mp-1179109
4.32441
2.949365
-3.458224
other
Te4C24I24N8
60
205
1,965.14
mp-1180005
6.991794
6.434588
-4.246391
other
Na4Cr4S8O80
96
205
1,515.73
mp-1207895
7.800516
2.498609
-1.473134
other
V4Ru4N24F24
56
205
892.03
mp-567329
-0.497947
1.396445
-4.407004
other
Cr4Hg24As16Br28
72
205
2,005.73
mp-1210193
7.942604
2.69527
-1.767267
other
Sc4Ru4N24F24
56
205
709.97
mp-570652
0.727324
1.993539
-5.030086
other
Hg24Bi4As16Cl28
72
205
1,865.92
mp-6404
3.431604
2.6607
0.743827
other
Ba4Ca8P24N48
84
205
1,004.95
mp-1205042
6.746516
6.178991
-3.926392
other
K4Al4S8O56
72
205
3,469.06
mp-1214014
-0.381376
0.877381
-4.346815
other
Cs8Na4U4Br24
40
205
1,596.35
mp-1214033
-1.05289
2.432017
-3.081872
other
Cd32As8P8I24
72
205
2,291.02
mp-1203209
8.272793
2.239226
-1.207752
other
Cs12B48As4F72
136
206
2,253.67
mp-1019527
13.508386
4.43005
-1.547647
other
Ba12Y8B24O60
104
206
1,503.87
mp-699485
8.402035
4.080926
-4.500434
other
Al4H48N12O60
124
206
1,335.19
mp-1154487
10.883042
7.762649
-2.350132
other
Mn12Al4Si12O48
76
206
790.95
mp-653631
9.092275
0.60146
0.714626
other
Ba8Na32Cu24F96
160
206
2,147.84
mp-1199830
5.435983
-0.442436
-3.08208
other
K16Cd16B48H192
272
206
2,981.96
mp-1201206
11.452704
4.154996
-4.520556
other
Li16P8H48O48
120
206
1,054.35
mp-1212139
9.945062
9.278583
1.694585
other
Li24La12Sb8O48
92
206
1,114.84
mp-1250723
10.698581
8.022243
-2.369843
other
Al4Fe12Si12O48
76
206
763.31
mp-1163946
9.829576
8.237031
-2.918777
other
Al4Co12Si12O48
76
206
750.17
mp-1198551
9.6471
4.840195
-6.537779
other
Ba4Ti4S24O84
116
14
1,804.67
mp-542767
7.756913
10.570179
1.500701
other
Sr4Tm2Ru2O12
20
14
276.64
mp-1200051
7.464682
3.191968
-4.680712
other
Rb4H4C16O16
40
14
596.17
mp-561198
8.832554
1.12049
1.396799
other
Na4Sr8Cr4F32
48
14
699.15
mp-17268
13.96157
4.451622
-2.16218
other
Lu4Cu2B8O20
34
14
305.62
mp-758367
14.24813
7.906671
-5.332438
other
Li4P16W4O48
72
14
924.86
mp-1189102
9.348387
9.070733
2.248061
other
Sr4La2Sb2O12
20
14
311.06
mp-1188515
8.242538
10.730829
1.126955
other
Ca4In2Os2O12
20
14
253.81
mp-554832
13.58135
7.5644
-5.221101
other
Mo4P12Pb8O44
68
14
964.3