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-1245389
1.671826
1.811503
1.361637
other
Ba28Si4N24
56
60
1,262.45
mp-1181112
6.746703
6.008241
-3.899163
other
Na16Xe4O56
76
60
1,279.51
mp-12221
9.806148
9.721872
-1.534798
other
Ca4Te4O16
24
60
332.55
mp-28426
5.320208
2.76474
-3.738788
other
B32P16Cl32
80
60
2,145.73
mp-780710
10.636115
-0.071482
0.252794
other
Li4Mn4F16
24
60
277.93
mp-772337
7.661753
9.957869
-3.833525
other
Cr12Cu8O48
68
60
975.99
mp-754967
9.84096
9.603937
-1.433212
other
Ba4Te4O16
24
60
415.81
mp-781948
10.663398
11.632817
2.453576
other
Na8Ti8O20
36
60
592.91
mp-28364
8.881258
8.540394
0.032032
other
Rb8Cd4O8
20
60
425.79
mp-16025
11.932102
3.735025
-7.978992
other
Y8S12O48
68
60
1,097.3
mp-3552
12.760186
6.518649
-0.875467
other
Li8Si8O20
36
60
395.36
mp-1205219
6.719496
6.172296
-3.916571
other
Ca8U4O68
80
60
1,370.45
mp-1210382
7.332454
2.465958
-2.923455
other
P4C72F68
144
60
1,881.02
mp-754411
10.363484
12.835074
0.980482
other
Ta4Fe4O16
24
60
267.22
mp-776130
11.241212
12.768212
-3.440799
other
Li8V20O48
76
60
1,063.66
mp-683981
11.266535
8.824472
1.005824
other
Rb32U36O124
192
60
3,544.63
mp-580597
-1.24348
3.07348
-2.931057
other
Cs4Cr4I12
20
60
823.96
mp-540077
10.650419
7.900933
-6.928216
other
Fe4P16O48
68
60
1,032.12
mp-684495
11.300719
7.151958
-6.642907
other
Bi4P16O48
68
60
1,131.03
mp-28104
-4.794899
-1.667872
1.279493
other
Fe8Mo4P48
60
60
862.4
mp-9754
7.716582
9.746464
-3.788542
other
Tl8Cr12O48
68
60
989.91
mp-1200687
12.327832
5.410669
-2.48333
other
Dy8B12O32
52
60
507.47
mp-9160
8.506529
9.731222
1.793964
other
La16Au8O36
60
60
929.7
mp-771771
11.073988
11.553929
2.740722
other
Ta8Pb4O24
36
60
514.25
mp-504552
10.806277
12.143263
1.963949
other
Nb8Co4O24
36
60
403.98
mp-1245851
1.623376
1.752436
1.475767
other
Ca28Cr4N24
56
60
895.51
mp-1211986
-3.670475
-1.559507
-5.913993
other
K8Hg12S16
36
60
972.02
mp-570555
1.939841
1.768135
1.394687
other
Ca28Ge4N24
56
60
894.36
mp-769301
10.41403
10.55923
3.285837
other
Ca16Ta8O36
60
60
836.52
mp-753803
8.824121
8.557728
0.00933
other
Cs8Ca4O8
20
60
514.03
mp-752403
11.280949
12.474638
1.2126
other
Ta4Cr4O16
24
60
270.56
mp-17901
9.209648
7.093663
-3.495179
other
Mn4Se8O20
32
60
454.15
mp-773509
9.989361
13.517376
-2.680825
other
V4Cr8O24
36
60
364
mp-1245667
1.666152
1.698492
1.46301
other
Sr28Zr4N24
56
60
1,172.14
mp-22100
11.152093
12.080616
1.992074
other
Mn4Nb8O24
36
60
427.02
mp-1179344
6.389898
5.523493
-4.36555
other
U4N8O28
40
60
724.72
mp-623092
8.468502
9.89933
1.741122
other
Gd16Au8O36
60
60
827.76
mp-772950
8.304308
10.393793
-3.82671
other
Ti8Cr12O48
68
60
1,074.38
mp-1029474
1.975918
1.773497
1.457822
other
Ca28Si4N24
56
60
868.16
mp-780506
10.850506
11.535246
2.262979
other
Ta8Zn16O36
60
60
687.77
mp-768800
12.129356
3.723764
-8.013078
other
Ho8S12O48
68
60
1,118.86
mp-540864
10.434516
11.74639
-3.276644
other
V4Bi4O16
24
60
330.84
mp-1201603
7.899204
7.634319
-3.891104
other
Pb4Se8O24
36
60
533.45
mp-1245740
1.810015
1.88262
1.153634
other
Ca28Se4N24
56
60
970.78
mp-769283
10.459506
10.239571
3.419069
other
Sr16Ta8O36
60
60
948.18
mp-1245330
0.232806
2.642291
1.960299
other
Fe28Ge4N24
56
60
548.95
mp-1246791
1.709626
1.676218
1.389269
other
Sr28Sn4N24
56
60
1,136.21
mp-766348
-1.226441
1.905928
-1.690969
other
Ba4Ca4I16
24
60
1,147.69
mp-1213521
8.20802
2.490265
-1.034481
other
Fe8N16F40
64
60
1,019.41
mp-1246607
1.250793
2.602856
1.885137
other
Al16Fe16N32
64
61
693.83
mp-1246191
0.787142
2.288605
1.811665
other
Ca16Ru16N32
64
61
915.01
mp-1209328
-2.123285
-1.530997
-3.982621
other
Pr8S8I8
24
61
758.58
mp-1041875
12.784104
6.795613
-1.207757
other
Si16Sb8O48
72
61
1,043.01
mp-734274
12.921814
6.256722
-1.625005
other
Ca16Si8O40
64
61
853.89
mp-1245355
0.669293
2.255711
1.913043
other
Ca16V16N32
64
61
890.72
mp-22841
-3.278563
-1.691694
-5.533112
other
Ba16In16S40
72
61
2,041.89
mp-1195619
6.653715
5.932143
-4.375963
other
Pb16N8O40
64
61
1,022.49
mp-618929
-6.237018
-1.392169
1.231179
other
Ni16Ge8P8
32
61
423.52
mp-559464
8.528199
11.410167
-0.400937
other
K16Fe16O32
64
61
1,002.96
mp-1245337
2.751749
2.426335
1.705069
other
Si40Ni16N64
120
61
1,423.17
mp-654447
8.422576
2.232627
-0.871696
other
Ni8Xe16F128
152
61
2,451.09
mp-505511
-5.413029
-1.742389
-2.574426
other
Co8As8Se8
24
61
382.51
mp-22829
13.516798
4.441473
-2.575428
other
Co8B32O56
96
61
1,011.73
mp-1247495
2.85109
2.390097
1.699628
other
Cd16Si40N64
120
61
1,411.64
mp-1213183
7.616858
7.74528
-3.930828
other
Ga8As8O48
64
61
896.77
mp-1246181
2.660196
2.320658
1.796902
other
Mn16Si40N64
120
61
1,417.02
mp-1041763
12.925223
6.160648
-0.979698
other
Ti8Si16O48
72
61
1,035.88
mp-4659
12.982463
6.45524
-6.442743
other
Cd8P16O48
72
61
928.5
mp-1200785
10.576878
4.35019
-7.109601
other
U8S16O64
88
61
1,180.3
mp-13998
10.149995
8.580896
0.420046
other
Na40Al8O32
80
61
1,046.32
mp-568440
-8.869384
-0.255166
2.688938
other
Ho16Ni80B40
136
61
1,490.82
mp-17749
9.83245
12.423045
-3.982462
other
V8Hg4O24
36
61
423.33
mp-570755
1.557054
2.17171
1.905596
other
K16Ta16N32
64
61
1,174.37
mp-1202188
7.521142
6.611952
-3.029069
other
Ag8I8O24
40
61
589.65
mp-1029493
1.392302
2.180881
1.780381
other
Rb16Nb16N32
64
61
1,293.75
mp-1247426
2.856003
2.379434
1.694434
other
Zn16Si40N64
120
61
1,421.37
mp-1245517
0.735531
2.355002
1.871593
other
Li16Re16N32
64
61
813.73
mp-504924
10.126857
9.012336
-2.05842
other
Cs16Te16O40
72
61
1,570.56
mp-1247034
1.91768
2.066527
2.204009
other
Cr16Si16N32
64
61
678.57
mp-4066
11.1929
7.751482
0.196155
other
K16Ga16O32
64
61
966.8
mp-1246272
2.484138
2.40083
1.673632
other
Zn16Ge40N64
120
61
1,663.11
mp-637680
10.562887
10.73192
-3.787097
other
K16Mo32O104
152
61
2,301.52
mp-12209
14.137423
4.394347
-2.42133
other
Mn8B32O56
96
61
1,029.16
mp-667362
1.072537
1.355764
-4.424582
other
Ce24N8Cl48
80
61
1,982.57
mp-766689
12.591344
7.951547
-1.864743
other
V8Si16O48
72
61
845.49
mp-780570
10.918034
4.537978
-7.538521
other
Ti8S16O64
88
61
1,133.84
mp-1245344
1.004917
2.389089
1.703665
other
Y16Mn16N32
64
61
937.79
mp-23071
4.042741
2.741365
-3.955122
other
C8Cl24F8
40
61
923.98
mp-1180695
6.944729
6.89307
-4.020235
other
Rb24V8O64
96
61
2,196.37
mp-1199962
6.006521
5.181855
-4.341227
other
Pt8N32O48
88
61
1,313.96
mp-1214694
7.925501
7.894691
-4.425602
other
Cr8As8O48
64
61
915.12
mp-29102
0.991993
2.17857
-4.991906
other
Hg24Te8Cl32
64
61
1,871.51
mp-1246988
2.84689
2.35213
1.634039
other
Si40Pb16N64
120
61
1,504.34
mp-559356
-3.532024
-1.645955
-5.348506
other
Tl24As8S24
56
61
1,575.05
mp-780258
9.392489
8.734069
0.496624
other
Na40La8O32
80
61
1,379.92
mp-706654
5.317264
3.085704
-3.984248
other
H16S48N16
80
61
1,640.18
mp-734035
7.399936
6.586954
-3.621408
other
Na16Mo8O48
72
61
1,135.88
mp-1213401
10.738872
7.860625
-0.272841
other
Cs16Ga16O32
64
61
1,144.39
mp-571432
-1.016137
1.140628
-1.67593
other
La40C16I72
128
61
5,175.65
mp-727793
8.025656
6.293634
-5.319508
other
Gd8S24O96
128
61
1,977.09