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-561308
8.556453
1.157205
-4.503937
other
Cu4H56C12N4Cl12O8
96
14
1,031.87
mp-726682
4.979702
3.129041
-3.865571
other
Te2C8S8N16Cl4O4
42
14
908.11
mp-683831
5.832895
3.39039
-4.740973
other
Fe12Mo4C44Se4S12O44
120
14
2,150.52
mp-1203632
9.906315
2.574504
-2.329783
other
Na4V4Cu2H8O12F12
42
14
465.62
mp-1205162
8.768326
2.916518
-4.878214
other
Np4Cr4H32C8N16O32
96
14
1,087.75
mp-733848
8.887058
2.924796
-4.663166
other
Cd4Re8H32C8N16O40
108
14
1,375.06
mp-1196779
8.904846
4.082267
-4.292313
other
La4H56Pt2N8Cl12O52
134
14
1,585.19
mp-560718
8.186803
0.733037
-4.466094
other
Te4H48Au4C16S12N4
88
14
1,221.45
mp-735489
8.92797
3.52454
-5.787883
other
K4Ca4Cr4H40C24O68
144
14
1,711.14
mp-605302
8.598123
2.973734
-4.557814
other
Dy4H24C24Cl12O36F24
124
14
1,777.82
mp-708969
8.250593
0.984349
-4.454262
other
P4H48Pd2C24Br4N12
94
14
939.91
mp-767297
9.054762
2.735836
-4.586535
other
Mn2H16C4S4N4O8
38
14
519.26
mp-561321
7.526289
2.518001
-1.83901
other
As8Se8S16N16Cl8F48
104
14
2,013.37
mp-1180975
7.228405
5.048412
-4.499383
other
Mg2C8S8N4O32F24
78
14
1,244
mp-766427
8.863282
3.607188
-6.445906
other
K4Na2Zn4H10C8O28
56
14
620.52
mp-560084
8.139204
2.780575
-2.135609
other
Ni4As8S24N16O32F64
148
14
2,429.26
mp-1201285
8.447106
2.345579
-4.656736
other
Cd4H64C16S16N40O24
164
14
1,982.76
mp-1200250
12.591584
7.011329
-7.278491
other
Na4Li4Ni4P4O16F4
36
14
392.87
mp-707219
9.716708
2.256152
-2.11393
other
K4Zr4Zn2H24O12F24
70
14
762
mp-849783
8.380321
1.878683
-4.368206
other
Te4H56C12S12N24F16
124
14
1,499.14
mp-1197566
10.835805
4.086439
-4.573458
other
Na4Co4P4H40C4O40
96
14
948.6
mp-707907
8.588964
2.555501
-4.671638
other
Mg2H48C12N24Cl4O24
114
14
1,141.59
mp-707312
8.231727
2.461397
-4.536071
other
Sr4H24C8S8N8O12
64
14
921.89
mp-1195950
11.619454
4.458006
-5.102703
other
Na4La4P8H16C4O28
64
14
751.43
mp-555329
7.232309
3.737021
-3.846211
other
C4Se8S8N8O12F12
52
14
898.16
mp-1200189
8.335554
1.695767
-4.565968
other
Cd2H24C4S4N16Cl4
54
14
677.66
mp-1213452
8.040107
1.697343
-4.631595
other
H20Pb4C8S4I4N24
64
14
963.21
mp-605047
7.761443
1.536427
-4.515609
other
P8H24C20N8Cl16O4
80
14
1,214.61
mp-721128
12.009806
4.937823
-5.459895
other
Ga12P12H24C8N4O52
112
14
1,432.24
mp-707239
7.993227
1.671991
-4.423137
other
H32C8Se4S8Br8N16
76
14
1,207.43
mp-1190848
7.774731
2.527508
-4.472906
other
Na2H8C4I2N4O4
24
14
386.05
mp-1204634
8.242733
0.940716
-4.446116
other
U4H168C56S28Cl16O28
300
14
3,722.54
mp-561162
9.190582
1.526274
-4.075241
other
Co4B4H72Br8N24F16
128
14
1,259.13
mp-707208
8.016793
1.742355
-4.448119
other
H32C8Se4S8N16Cl8
76
14
1,044.59
mp-1195463
7.914945
0.203403
-4.468225
other
U4Si24H216C72N12F4
332
14
3,816.56
mp-1212364
12.787517
6.112626
-1.029562
other
K4Na4Ti4Si12H8O40
72
14
926.23
mp-23777
9.068416
1.897494
-4.351727
other
H32C12S4N4O12F12
76
14
837.99
mp-729048
8.472383
2.857041
-4.721942
other
Co4H64Ru4N40Cl4O40
156
14
1,632.35
mp-696485
9.969276
4.728839
-5.563979
other
Na8Te4H4S4O20F12
52
14
691.83
mp-1198949
8.208268
0.937214
-4.440789
other
P4H48Pt2C24I4N12
94
14
1,006.77
mp-1200002
10.285315
4.051564
-4.794948
other
U4P8H32C8N4O32
88
14
1,084.49
mp-729102
8.640552
1.899407
-4.455345
other
Mo8As4H72C24N4O48
160
14
1,795.07
mp-1196440
7.781203
0.200433
-4.500641
other
Zn4Si16H140C52Cl4O4
220
14
2,837.48
mp-1199835
11.788405
5.631989
-6.028131
other
Cs4Fe4P8H12C4O40
72
14
974.72
mp-1238260
8.596473
3.870967
-5.846625
other
Cs8Mo8H16C16S8O56
112
14
2,018.78
mp-1196080
10.361786
3.179025
-4.470111
other
Co4P12H60C12N4O48
140
14
1,349.17
mp-557822
8.765831
2.122432
-4.638323
other
H48Pb4C16S16N8O32
124
14
1,474.23
mp-1195079
8.193564
3.520044
-3.602216
other
Na8C16S16N8O32F48
128
14
1,889.15
mp-1202300
9.43508
2.230712
-4.59705
other
V4H60C16S8N8O40
136
14
1,275.91
mp-1179213
8.470754
1.230163
-4.307141
other
Te4H60C20N4O4F24
116
14
1,302.75
mp-558267
13.807262
4.421364
-2.325917
other
Na4Li4Si4B12H4O32
60
14
615
mp-1194882
12.106553
7.130341
-7.152513
other
Ba4Mn4P4Cl4O16F4
36
14
552.9
mp-1197408
8.322316
1.436633
-4.550205
other
Fe4H48C24N4Cl8O16
104
14
1,369.4
mp-707803
8.784727
3.289755
-4.519934
other
Cs8H16Ru4N4Cl20O12
64
14
1,350.1
mp-1210891
12.565706
7.199153
-1.442532
other
Na12Ti8Mn12Si16O64F8
120
14
1,399.58
mp-1197429
8.452189
3.577229
-5.802552
other
K8U4H16C20N8O48
104
14
1,490.5
mp-555532
7.975447
2.707742
-2.434797
other
Cs4B4C12N4O4F36
64
14
994.24
mp-707983
10.77964
3.951684
-4.576265
other
Ca4Mg2B4H32C4O36
82
14
725.9
mp-1202041
10.125659
2.82215
-4.63066
other
Sr4P12H40C12N4O36
108
14
1,114.64
mp-605173
8.35332
0.85244
-4.507789
other
As12H36Rh4C12Br12O12
88
14
1,376.41
mp-1203956
8.995124
2.388996
-4.685803
other
Mn4Sn4H64C24S12O44
152
14
1,752.53
mp-1200298
7.982085
3.578262
-3.57127
other
Rb4Au4C16S16O48F48
136
14
2,369.79
mp-704755
5.912982
3.465052
-4.68958
other
Fe12P4W4C60Br4O60
144
14
2,473.05
mp-1199057
13.717823
4.216764
-2.137838
other
Ba8Na2B20Cl2O36F4
72
14
914.7
mp-1199292
7.941192
2.376672
-4.905892
other
K4B4H16C16N32O16
88
14
1,252.12
mp-560589
7.620048
2.466599
-1.424459
other
Nb4Se8S4N8Cl4F24
52
14
1,091.83
mp-709326
10.878682
3.722509
-5.03096
other
Zn12P12H40C8N4O52
128
14
1,524.1
mp-1202043
8.751934
4.441457
-5.94373
other
Ce4H8C8S4N4O36
64
14
802.66
mp-1199663
9.357814
2.314241
-4.400444
other
Cr8Co4H80N24Cl4O32
152
14
1,459.84
mp-605688
8.532862
3.00915
-4.461943
other
Gd4H24C24Cl12O36F24
124
14
1,823.03
mp-722880
8.731511
2.616727
-4.636483
other
Ba4Re8H48C12N24O44
140
14
1,677.91
mp-1194606
8.044212
0.937612
-4.509042
other
H24Pb4C12S8I4N4
56
14
971.28
mp-746580
10.458388
4.277406
-5.760194
other
Y8Cu4H20S8O48F4
92
14
1,131.66
mp-1194811
12.013758
5.434
-5.61615
other
U4Ag8P8H8C4O32
64
14
861.01
mp-1204854
12.230392
6.297029
-6.733382
other
K4Fe4B4P8H4O36
60
14
756.36
mp-24757
11.734163
4.319197
-5.178953
other
Al4B4P8H20N4O36
76
14
736.77
mp-1199675
9.868757
3.678824
-4.733469
other
Fe4P4H24C8S4O28
72
14
848.89
mp-1202135
8.019492
1.570437
-4.479888
other
H96Pt2C64S8N12O16
198
14
2,180.93
mp-654887
8.61393
1.545635
-4.424096
other
Co2H64C16S8N4O20
114
14
1,266.82
mp-1202452
8.166484
1.379878
-4.549291
other
Sn4H48C24S8N8O8
100
14
1,347.88
mp-1203517
8.717712
2.027972
-4.63568
other
Cs4H24C8S8N4O16
64
14
973.7
mp-605808
8.50297
1.656217
-4.387311
other
Ag8H64C32S24O24F24
176
14
2,271.27
mp-24648
12.31656
6.272209
-6.807463
other
Rb4Fe4B4P8H4O36
60
14
778.67
mp-1196380
9.737126
3.803978
-5.866007
other
Sm4Ag4H16C8S4O40
76
14
854.41
mp-1198602
8.365348
4.846631
-5.609964
other
Dy4H8C8S4N4O36
64
14
804.35
mp-1203768
8.058767
0.548809
-4.42201
other
Ta4Si4H132C44N20Cl4
208
14
2,220.18
mp-1202473
8.277772
0.821433
-4.489903
other
Ga8Sb8H64C16S28N8
132
14
2,166.55
mp-765959
8.482605
2.327904
-4.91264
other
Na4P4H12C8N12O16
56
14
597.72
mp-1202938
10.666137
6.209283
-5.395422
other
Na4Gd4P8H8C4O28
56
14
687.42
mp-1196721
9.118193
1.766056
-4.165393
other
Co4H80I4N24Cl8O16
136
14
1,375.06
mp-1200021
11.883994
4.99487
-5.138576
other
Co6P8H16N4O24F8
66
14
789.7
mp-2219481
-7.888095
2.851576
-4.964607
other
Mg1Te2Mo3W1Se4S2
13
156
430.71
mp-2219161
-9.135195
2.71537
-4.209325
other
Mg1Te4Mo3W1Se2S2
13
156
386.61
mp-2218904
-9.206802
2.684408
-4.147688
other
Mg1Te4Mo3W1Se2S2
13
156
460.79
mp-2219054
-7.822278
2.84982
-4.964985
other
Mg1Te2Mo3W1Se4S2
13
156
449.77
mp-2219677
-9.168655
2.69053
-4.174847
other
Mg1Te4Mo3W1Se2S2
13
156
452.2
mp-2226953
-8.162388
2.98414
-5.193621
other
Mg1Te2Mo2W2Se4S2
13
156
436.06
mp-2242293
-8.156707
2.973934
-5.180601
other
Mg1Te2Mo2W2Se4S2
13
156
438.22
mp-2218919
-8.179559
2.994405
-5.203714
other
Mg1Te2Mo2W2Se4S2
13
156
437.08
mp-2222881
-8.132961
3.118669
-5.220856
other
Mg1Te2Mo2W1Se2S2
10
156
345.82