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-1188146
-4.712272
-5.347013
0.558278
other
Ca8As8
16
60
576.24
mp-1105681
10.319165
9.106992
0.137924
original
In8O12
20
60
248.15
mp-1197685
-4.912328
-0.408858
3.104433
other
Os16C24
40
60
393.62
mp-1214386
5.804919
2.733532
-3.453103
other
C56Cl40
96
60
1,795.83
mp-560203
14.967382
5.922122
0.05632
other
Si12O24
36
60
439.04
mp-639748
15.639881
5.613894
0.355641
other
Si36O72
108
60
2,478.78
mp-28353
-6.014164
-3.424755
-2.033696
other
Na24Te24
48
60
1,448.94
mp-542233
-4.803101
-4.787344
0.136742
other
Rb12As44
56
60
1,903.5
mp-1193639
-4.276814
-3.357663
-2.885848
other
Np8Se20
28
60
641.68
mp-9981
-0.245898
2.306531
2.188291
other
Mn8N4
12
60
120.29
mp-22192
-6.177054
-1.899735
5.254707
other
Si24Ru16
40
60
550.27
mp-850068
-5.474357
-0.993316
-4.04719
other
Ni4S8
12
60
181.9
mp-1568
-3.368993
-3.916233
0.544666
other
K12P44
56
60
1,556.09
mp-773920
7.796107
10.400106
-3.797889
other
Cr20O48
68
60
1,020.37
mp-510417
10.573917
11.17265
-3.117979
other
W8O24
32
60
461.42
mp-1172828
10.663907
11.165395
-3.065952
other
W8O24
32
60
432.33
mp-16610
-7.119962
-1.765079
4.144488
other
Ge24Os16
40
60
617.62
mp-1188655
-5.596147
-1.102509
-3.103329
other
Ir8S12
20
60
317.55
mp-473
-3.418757
-3.923283
0.546313
other
Na12P44
56
60
1,275.91
mp-1190124
9.506258
8.59403
-0.611117
other
Bi8O12
20
60
346.19
mp-21476
-6.874564
0.545033
3.607822
other
Fe8N4
12
60
112.84
mp-669501
-6.164228
-1.9685
5.312068
other
Si24Ru16
40
60
563.95
mp-1938
12.573315
7.559809
0.339914
other
Al8O12
20
60
171.32
mp-1102412
9.25106
13.492019
-1.93401
other
Cr4O8
12
60
111.77
mp-776097
10.768094
9.944072
3.650835
other
Hf12O24
36
60
442.84
mp-2034
-5.138092
-0.145289
3.192438
other
W8C4
12
60
152.23
mp-13869
7.836255
10.383714
-3.769542
other
Cr20O48
68
60
868.75
mp-10948
12.608588
7.05304
-1.289129
other
Si4O8
12
60
94.64
mp-1087553
-4.261649
-4.980608
-3.421256
other
Ce12Se24
36
60
2,162.62
mp-1014444
0.207703
2.189849
2.198713
other
Cr12N8
20
60
183.44
mp-1190478
-8.237777
-6.246819
2.161658
other
Pb8Au16
24
60
519.89
mp-20633
5.972905
8.783318
-1.899669
other
Pb4O8
12
60
165.1
mp-1194185
-3.051798
-2.292068
-4.30763
other
U8S20
28
60
559.96
mp-556034
6.724038
4.97314
-4.685475
other
C4O8
12
60
171.6
mp-571232
-0.516521
0.933071
-4.147125
other
Yb4Br8
12
60
395.16
mp-21945
-7.481314
-2.057904
4.119841
other
Ge24Ru16
40
60
607.67
mp-16608
-5.883798
-2.006016
5.22014
other
Si24Os16
40
60
561.86
mp-510080
8.381111
13.423794
-1.192278
other
Fe8O12
20
60
207.25
mp-1096917
0.665359
3.138163
1.526253
other
Cr12N24
36
60
568.68
mp-555487
9.722937
10.009984
0.05155
other
Sn12O24
36
60
433.85
mp-1080302
-4.273073
-4.437989
-3.429018
other
Ce4Se8
12
60
388.96
mp-17173
-5.384483
-0.984475
-3.60867
other
Rh8S12
20
60
315.01
mp-1080851
-4.274817
-4.381773
-3.410565
other
Ce12Se24
36
60
1,109.16
mp-12978
9.687299
10.012472
0.003491
other
Sn4O8
12
60
142.89
mp-1666
-2.898459
-2.509117
-4.954687
other
Th8S20
28
60
600.85
mp-19342
10.56671
11.171949
-3.116001
other
W8O24
32
60
461.01
mp-555136
5.145341
2.95715
-3.938728
other
S16N16
32
60
675.24
mp-1105666
-5.115128
-1.782697
-2.690302
other
Rh8Se12
20
60
367.12
mp-1179780
-5.981889
-2.429574
5.525721
other
Si24Ru16
40
60
591.87
mp-23711
3.423158
-0.615434
-2.54108
other
Mg4H8
12
60
118.25
mp-1195045
-1.709361
2.327101
-3.027677
other
W24I96
120
60
5,472.29
mp-2383161
10.555868
11.173045
-3.11408
other
W8O24
32
60
458.8
mp-2392
-4.034658
-3.910086
-3.350464
other
Th8Se20
28
60
690.3
mp-1439
10.479002
12.441511
1.803759
other
Ti4O8
12
60
123.16
mp-1552
-5.160376
-0.025291
3.097787
other
Mo8C4
12
60
149.1
mp-775980
10.769634
10.044638
3.82887
other
Zr12O24
36
60
460.02
mp-1197062
-3.301778
-3.868526
0.480055
other
Rb12P44
56
60
1,698.99
mp-571642
1.184366
1.963732
-5.329565
other
Ca4Cl8
12
60
334.94
mp-568293
1.720521
1.686934
1.352949
other
Ca12N8
20
60
350.72
mp-1015582
0.507594
2.887465
1.809001
other
Cr4N8
12
60
118.35
mp-755749
11.414745
13.099605
-0.172345
other
Cr8O12
20
60
188.93
mp-556585
10.784077
0.609805
1.802268
other
Mn4F8
12
60
153.74
mp-628781
-5.622195
-3.324553
-2.041746
other
Ge8Te8
16
60
604.86
mp-541000
-4.807313
-4.757803
0.129172
other
K12As44
56
60
1,755.06
mp-20648
-4.890583
-0.097692
2.975843
other
V8C4
12
60
130.08
mp-10913
11.43919
7.823591
-1.419405
other
Ge4O8
12
60
109.78
mp-1716
8.476792
11.66591
-0.819243
other
Rh8O12
20
60
203.43
mp-775938
10.541752
12.464546
1.861528
other
Ti12O24
36
60
373.52
mp-7709
9.125282
1.005995
0.987194
other
Zn4F8
12
60
136.18
mp-1209834
-3.143487
-2.052761
-4.23062
other
Np8S20
28
60
552.74
mp-684193
-0.158665
0.650669
-3.172688
other
Sm44Br96
140
60
4,264.12
mp-7228
11.710876
11.045558
-0.412336
other
Re4O8
12
60
125.99
mp-863730
-5.20667
-7.250302
1.953485
other
K12Tl12
24
64
962.94
mp-1200191
-7.974848
-3.872265
4.727548
other
Ga42Rh8
50
64
875.26
mp-1371
-7.64168
-5.105768
2.426425
other
Sn12Pd4
16
64
368.25
mp-1105231
-3.407364
-4.871902
1.174336
other
Ba10P8
18
64
600.2
mp-600041
15.668328
5.637368
0.399263
other
Si16O32
48
64
882.42
mp-32758
-4.570978
-2.448028
-4.242509
other
Ag4Se2
6
64
124.29
mp-1191883
-6.458215
-7.396003
2.802359
other
Li12Tl12
24
64
552.1
mp-667377
15.547919
5.676162
0.344678
other
Si56O112
168
64
3,106.95
mp-1079707
9.370024
8.634722
2.0826
other
Ca4O4
8
64
186.12
mp-637255
-6.282319
-3.838765
3.220825
other
Ti8Sn12
20
64
419.66
mp-29647
-6.055428
-4.689181
1.264579
other
Sm4Sb8
12
64
347.27
mp-1209592
9.55964
7.466059
-5.721334
other
P8O24
32
64
784.76
mp-2456335
-0.035713
1.41895
-4.28604
other
Pb4Br8
12
64
508.49
mp-569054
-8.446683
-1.184778
5.11074
other
La4Co6
10
64
201.15
mp-667376
15.53219
5.680618
0.339531
other
Si56O112
168
64
3,108.73
mp-32791
-4.023719
-1.462654
-5.473689
other
Ag4S2
6
64
117.63
mp-1071625
-3.933445
-2.134352
-3.538889
other
C2Se4
6
64
202.32
mp-545820
11.103679
9.127603
0.387779
other
Sn4O4
8
64
153.19
mp-734654
-4.735562
-2.937279
-3.794847
other
K16Se16
32
64
1,036.85
mp-856161
5.972913
13.384231
-2.567282
other
Co4O8
12
64
124.2
mp-1198538
-0.934759
0.799576
-3.24292
other
Ta12Br28
40
64
1,179.58
mp-1102139
-6.066127
-4.64008
1.221413
other
Nd4Sb8
12
64
356.99
mp-1714
-5.999891
-1.396987
4.451501
other
Fe8Si16
24
64
292.75
mp-1188077
-7.720066
-4.187647
4.068401
other
Zr14Cu20
34
64
547.68
mp-600051
15.674385
5.635379
0.401113
other
Si24O48
72
64
1,322.35
mp-1103044
-7.839904
-4.129252
2.792353
other
Sn8Rh4
12
64
246.96
mp-1250551
15.530931
5.684916
0.325563
other
Si112O224
336
64
6,193.3
mp-17123
-5.692691
-2.133244
5.170612
other
Si16Os8
24
64
339.35