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-1213944
8.663964
9.909274
-3.651078
other
Cr4Cu4As4Pb8O36
56
14
818.36
mp-831264
15.087316
8.572843
-4.498374
other
Li16V8P8O32F8
72
14
770.62
mp-705194
5.729105
3.43349
-4.646183
other
Mn16Sn8C80Br8O80
192
14
3,501.97
mp-1201748
10.460456
3.924895
-4.459739
other
Na4Mg2H40S4O36
86
14
809.61
mp-1203438
10.100214
3.256889
-3.919659
other
Mg4H64Ru4Cl20O34
126
14
1,490.73
mp-1221830
13.315216
5.08738
-2.603396
other
Mn2Al2B4Pb4O16
28
14
349.87
mp-1202956
7.742075
1.9257
-4.294883
other
Ni4H16C8S16N8
52
14
804.38
mp-1048770
12.398253
6.738337
-1.371031
other
Ca4Be12Co8Si12O48
84
14
857.94
mp-706284
10.413774
3.454568
-4.50774
other
Zn2H40S4N4O28
78
14
702.67
mp-1196089
6.588704
-0.014795
-3.69214
other
Y4B12H72C8S4
100
14
1,013.67
mp-720258
10.310711
3.261244
-4.301814
other
Cr4P8H64N12O40
128
14
1,401.19
mp-1211983
8.709467
1.976694
0.20533
other
K8Mo4H4O8F16
40
14
722.06
mp-1197342
8.960158
2.354647
-2.530452
other
As4H20C8O8F24
64
14
783.31
mp-758504
11.665668
4.439785
-4.781179
other
K4Mg6P8H40O48
106
14
1,036.15
mp-1193261
6.905782
3.830321
-4.882663
other
Cs4H4C4N8O8
28
14
528.4
mp-1212742
8.006286
1.607264
-4.444663
other
H28C8S4I4N16
60
14
1,028.12
mp-1195376
8.392732
5.948596
-5.566698
other
La4H8S8N4O36
60
14
820.64
mp-1198099
8.289208
3.574065
-4.845968
other
Co2H36C4N32O32
106
14
1,087.72
mp-1200555
10.465125
5.477364
-5.098039
other
Yb4P8H16N4O28
60
14
739.37
mp-707494
6.904223
1.233829
-3.753457
other
B44H36C4Br24O16
124
14
2,095.29
mp-709540
4.589474
2.81942
-3.836101
other
Co4H16C16N8Cl16
60
14
1,304.23
mp-640915
11.32496
4.430465
-7.144218
other
Na8La4P4S8O28
52
14
795.23
mp-24112
10.494468
4.041455
-4.974008
other
Rb4Zn2H24S4O28
62
14
709.29
mp-735142
7.107556
8.418106
-3.596376
other
Cr8Hg4N8Cl8O28
56
14
1,298.96
mp-704542
5.735909
3.514365
-4.584973
other
Ge4W8C40Br8O40
100
14
1,985.09
mp-1199434
8.316749
2.246211
-1.122173
other
Tc4As4H8O8F40
64
14
962.99
mp-24688
10.437009
4.115321
-4.96447
other
Rb4Ni2H24S4O28
62
14
696.21
mp-1198024
7.215317
0.176211
-3.909899
other
B64P8H192Pt8C56
328
14
3,460.98
mp-720256
10.665935
3.165882
-4.428342
other
Cr4P8H56N12O36
116
14
1,111.39
mp-554484
8.685958
1.288639
-4.42887
other
Ce4H64C16Cl12O16
112
14
1,306.17
mp-1196618
7.063569
0.368346
-3.948801
other
Co4B40H84C48Cl8
184
14
2,276.42
mp-655025
8.777682
4.647079
-4.606075
other
Mo4H24C8N4O30
70
14
1,225.81
mp-540847
4.182432
2.168317
-3.187174
other
Cs4Li2Cr2C12N12
32
14
638.9
mp-646605
10.231692
9.45379
-2.035135
other
Sr4Ni8Te12Cl8O32
64
14
1,121.38
mp-707039
10.099337
3.914629
-4.491864
other
Zn2H40S4N4O28
78
14
760.86
mp-568299
4.067117
2.315485
-3.239753
other
K4Pt2C8Br4N8
26
14
571.4
mp-1237189
10.705807
4.779502
-5.164671
other
Fe4P4H20C4O32
64
14
646.71
mp-850513
8.489978
2.559118
-4.788444
other
H24Pt2C12N12O16
66
14
670.61
mp-559681
10.45391
9.41508
-1.928918
other
Dy8Cu4Te20Br8O52
92
14
1,505.4
mp-1199324
9.871471
5.641909
-4.176223
other
Na4Cu6H16Se8O32
66
14
775.31
mp-728691
10.497672
3.430056
-4.496556
other
Cr2H40S4N4O28
78
14
721.77
mp-704255
5.975236
3.443768
-4.682646
other
Mn8Fe12Sn8C76O76
180
14
3,052.83
mp-942704
10.276018
4.432527
-6.167432
other
Li4Co4H4S4O20
36
14
374.88
mp-1181352
8.991684
3.122759
-5.000758
other
Mo4H24C8N4O30
70
14
794.7
mp-1194681
8.389296
2.359599
-4.822875
other
Mg4H32C16N8O24
84
14
950.55
mp-2647152
6.5598
-0.023462
-3.671673
other
Er4B12H72C8S4
100
14
984.95
mp-18838
10.034296
4.732012
-7.344626
other
K8Mn4S4O16F12
44
14
702.45
mp-720912
9.902006
3.040216
-3.769687
other
K4Zn4H16Br12O8
44
14
868.24
mp-559540
10.284041
4.602727
-6.979393
other
Rb4Zn4S4Cl4O16
32
14
611.98
mp-1211576
10.099788
4.658866
-6.279628
other
Nd8Co2Si8C8O44
70
14
964.78
mp-559046
10.448954
9.396975
-1.923895
other
Sm8Mn4Te20Cl8O52
92
14
1,556.67
mp-604490
10.181791
2.632131
-3.045487
other
U4Ni4H56O36F16
116
14
1,164.74
mp-556764
8.393337
7.003417
-3.740445
other
K8U4Mo4I8O48
72
14
1,317.22
mp-605078
7.798758
0.476833
-4.37343
other
Sn8H84C24Cl4O8
128
14
1,650.08
mp-1199926
10.025613
4.660913
-7.173145
other
Cs8Mn4S4O16F12
44
14
848.86
mp-1203598
11.926685
7.723981
-6.300119
other
Cs4Mo4P8H4O36
56
14
852.02
mp-725584
3.468947
3.33624
-4.126009
other
Pd4C4N4Cl8O4
24
14
563.62
mp-1198257
8.039966
2.947961
-2.214163
other
As4C4Cl4O8F12
32
14
608.34
mp-1205043
11.909582
7.293157
-7.21431
other
Rb14Fe14P16H8O72
124
14
1,800.94
mp-699496
9.87779
4.623159
-5.57979
other
K8Cd12H40S16O84
160
14
2,111.47
mp-554882
10.338604
9.48016
-1.950265
other
Dy4Cu4Te8Cl4O24
44
14
749.72
mp-1194821
9.251558
1.733069
-4.355445
other
H96C16S8N16O32
168
14
1,550.37
mp-1181555
8.616621
5.07268
-4.091454
other
Co2H16Se4Cl4O16
42
14
668.89
mp-554217
1.933216
2.799766
-4.378672
other
Hf2Mo4Se16Cl28O4
54
14
1,558.51
mp-555110
9.103102
2.205327
-2.796333
other
As4H20C8O8F24
64
14
763.88
mp-1195656
11.951038
7.233091
-7.385946
other
Ba4Mn4P4O16F8
36
14
495.18
mp-561487
8.055961
2.284725
-1.271376
other
Te16As8S4O8F48
84
14
1,683.78
mp-1202312
7.80563
0.131558
-4.504841
other
Si16Sb4H152C56Cl4
232
14
2,849.02
mp-1201008
4.158491
2.191654
-3.172802
other
Cs4K2Cr2C12N12
32
14
754.37
mp-1197263
8.319901
3.807649
-4.685164
other
Ag4H40Rh4N24O40
112
14
1,198.63
mp-605694
10.490407
3.884342
-4.804809
other
Nd4H48S8N4O48
112
14
1,135.4
mp-505659
4.175128
2.28476
-3.211717
other
Rb4Na2Mn2C12N12
32
14
620.65
mp-761134
13.74471
8.2101
-7.30852
other
Rb4Li4V4P8O32
52
14
726.63
mp-1214996
7.613143
2.505882
-1.796836
other
As8Se8S16N16F48
96
14
1,728.29
mp-733680
13.376482
7.543535
-1.179788
other
Mn16Si12As4H4O52
88
14
1,047.14
mp-1197457
12.796189
6.383792
-0.254726
other
Rb4Ba4Sc4Si12O36
60
14
850.25
mp-733862
12.095061
4.921593
-5.21357
other
K4Ca4P12H24O48
92
14
1,083.51
mp-1193315
8.452269
3.372617
-5.771475
other
K2Co2H6C6O12
28
182
381.54
mp-1224564
-3.429555
-0.74878
-4.854944
other
K8Ba2Ti12S40O2
64
182
1,477.12
mp-567129
4.881401
2.077234
-2.740516
other
K2La2Si2C8N16
30
18
510.33
mp-1193461
5.553629
3.443988
-4.042949
other
Cd2C8S4N8O8
30
18
638.41
mp-761745
10.153632
3.134814
-3.684618
other
Sr2Cd4H32Br12O16
66
18
954.19
mp-736446
4.956571
2.813957
-3.671117
other
In2H16C16N8Cl14
56
18
1,252.14
mp-738618
8.337381
0.749645
-4.46409
other
Nd2H64C16N8Cl14
104
18
1,273.74
mp-647987
4.72199
2.729192
-3.60833
other
Rb2Bi2C8S8N8
28
18
572.43
mp-1204101
13.586041
5.9938
-6.131569
other
Al12P12C16N4O52
96
18
1,487.37
mp-758974
6.717484
0.205123
-3.535759
other
Fe2B36H64C16S4
122
18
1,183.13
mp-556258
12.896258
6.284966
-0.753288
other
Na6Be2Al2Si4O16
30
18
371.1
mp-753087
13.731615
7.152895
-6.312746
other
Li2V2P4H4O16
28
18
297.53
mp-1180684
9.018158
4.60389
-4.244166
other
Na4H32Se4N4O24
68
18
963.45
mp-1214647
13.292417
8.694217
-0.585092
other
Ba2Al4Si6W8O20
40
18
687.44
mp-1208677
8.304015
2.138882
-4.699403
other
Zn8H64C16N72O28
188
18
1,828.95
mp-755468
11.686039
6.870573
-6.948201
other
Li4Mn4P8H8O32
56
18
595.31
mp-571170
8.377214
0.76865
-4.446512
other
H64Ru2C16N8Cl14
104
18
1,175.3
mp-863014
8.34399
0.740857
-4.455569
other
Sm2H64C16N8Cl14
104
18
1,262.37
mp-705854
11.485106
4.154254
-4.904248
other
Ca4P12H40N4O48
108
18
1,189.55
mp-1223809
14.100712
8.638935
-5.045535
other
K4Mo4P12W4O48
72
18
1,072.71
mp-568081
8.371431
0.785549
-4.480258
other
H64W2C16N8Cl14
104
18
1,198.29
mp-24767
8.49429
1.518926
-4.37996
other
H48C16N4Cl4O16
88
18
863.12
mp-708994
8.376417
0.771212
-4.4841
other
Sb2H64C16N8Cl14
104
18
1,247.52