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-20143
8.747276
10.184413
2.255385
other
La4Ni2O8
14
64
194.57
mp-697948
3.266734
-0.697188
-2.572171
other
Cs8Mg6H20
34
64
629.14
mp-504805
-1.26004
1.903321
-2.144168
other
Cs2Zr12I28
42
64
1,649.44
mp-1029959
1.10763
2.240074
1.526411
other
Ca8Mn4N12
24
64
332.94
mp-753096
5.873384
12.852011
-2.5806
other
Fe2Co4O12
18
64
207.47
mp-1245710
4.296898
2.2964
-3.324398
other
Co4C8N8
20
64
329.75
mp-1211955
8.279211
0.68253
0.574218
other
K4Ag2F8
14
64
259.9
mp-1246807
1.451044
1.914891
1.396626
other
Sr8Mn4N8
20
64
384.46
mp-1207461
-1.285644
1.826632
-2.177336
other
Zr12P2I28
42
64
1,593.36
mp-27132
14.545388
5.140996
-7.4609
other
Zr4P4O18
26
64
344.64
mp-1246333
1.613145
1.888753
1.182756
other
Sr8Pb4N8
20
64
430.12
mp-1203552
-8.643167
-0.049117
2.608532
other
Tm8Ni60B36
104
64
1,029.03
mp-14765
-5.982242
-1.283278
0.943111
other
Ba2Ni20P12
34
64
457.57
mp-764905
10.482201
0.896379
1.709757
other
Li4Mn6F16
26
64
347.34
mp-849289
7.554015
11.048427
-0.481006
other
Na36Co12O36
84
64
1,106.54
mp-573282
-9.014152
-0.892834
2.531446
other
La8Ni88C12
108
64
1,258.45
mp-985705
-5.203736
-4.20219
0.510882
other
Ce4Ag4As8
16
64
346.28
mp-1178408
9.672361
8.511268
0.395054
other
Cs8Hf4O12
24
64
617.68
mp-753123
9.897094
0.344866
0.576262
other
Li4Cu2F8
14
64
145.95
mp-1247569
1.597828
1.833163
1.291151
other
Sr8In4N8
20
64
418.64
mp-27494
8.703766
9.759776
2.381132
other
La8Co4O16
28
64
395.79
mp-559210
9.553102
9.635611
-0.872729
other
Ca10Te6O28
44
64
589.67
mp-1245767
1.131264
2.076439
1.425681
other
Ca8Ir4N12
24
64
363.21
mp-1188696
-6.752347
-4.749056
5.590631
other
Ho4Al6Ge8
18
64
351.82
mp-1193282
-4.038195
-1.703724
-5.112445
other
Cs12Fe4S12
28
64
975
mp-1198795
9.228686
7.544195
-2.509913
other
K8Si8O24
40
64
670.22
mp-849263
13.213224
12.435821
-0.596141
other
Na2V20O30
52
64
596.08
mp-1207498
-1.258449
1.855237
-2.166242
other
Zr12Si2I28
42
64
1,556.84
mp-1245464
1.191301
2.565581
1.754175
other
V4Cd8N12
24
64
331.3
mp-1029550
1.149789
2.275546
1.674417
other
Ca8Cr4N12
24
64
330.65
mp-752633
7.466827
13.798661
-1.92121
other
Mn4Co2O12
18
64
207.7
mp-1245619
1.496069
2.638465
1.541638
other
V4Pb8N12
24
64
408.57
mp-21634
11.285835
11.175321
-2.481954
other
Na8W8O28
44
64
672.57
mp-1179976
-6.772248
-4.558983
5.698412
other
Nd4Al6Ge8
18
64
368.81
mp-1029770
0.91691
2.326289
1.908392
other
Ba4Cr4N8
16
64
265.09
mp-4049
13.702675
7.878429
-3.105186
other
U4P4O18
26
64
406.56
mp-768570
-1.182122
2.028261
-1.888863
other
Sr4Ca2I12
18
64
779.82
mp-1029923
1.301846
2.152852
1.576776
other
Sr8Cr4N12
24
64
378.32
mp-17689
7.721103
10.363074
0.860334
other
Ba8Ir6O20
34
64
516.54
mp-755448
9.436458
8.452114
-0.023088
other
Rb8Sn4O12
24
64
535.8
mp-569096
-8.912379
-0.88919
2.533942
other
Ce8Ni88C12
108
64
1,233.62
mp-17545
10.55923
12.29004
-3.726592
other
V4Zn6O16
26
64
304.56
mp-558186
8.407599
1.07102
1.922243
other
Rb4Lu12F40
56
64
858.12
mp-1191753
10.96164
11.349187
-2.554612
other
Hg4W4O16
24
64
304.38
mp-1246082
2.43402
1.861813
1.751635
other
Y8Al4N12
24
64
326.19
mp-1205368
10.201652
11.840568
-2.160855
other
Zn4W4O16
24
64
230.23
mp-753901
9.426208
8.965091
2.59738
other
Er4Cu2O8
14
64
175.81
mp-1196471
9.09812
0.331598
0.722941
other
Cs8Co6F20
34
64
616.59
mp-1246830
1.05142
2.233735
1.531218
other
Ba4Co4N8
16
64
255.47
mp-1208465
8.052821
3.860044
-6.217348
other
Tl20C16O24
60
64
1,148.61
mp-1179432
-5.415109
-4.350142
0.395125
other
Sm8As16Au8
32
64
689.32
mp-1106370
5.32936
3.336322
-3.780258
other
B4N8Cl4
16
64
270.11
mp-752759
5.957391
13.088543
-2.25648
other
Co4Ni2O12
18
64
198.46
mp-640080
-6.382293
-0.91776
4.202163
other
Fe8Si8Ge8
24
64
325.08
mp-753941
10.370525
13.883189
-0.628564
other
Li4Cr6O12
22
64
230.59
mp-583615
-4.670532
-5.450748
0.326526
other
K12In8As12
32
64
1,009.51
mp-1178060
6.453691
12.960215
-1.431189
other
Li4Fe6O12
22
64
239.03
mp-1247314
1.767103
2.075387
1.119922
other
Ca8Bi4N12
24
64
407.19
mp-770745
7.737713
10.046257
-3.888222
other
Li8Cr8O28
44
64
511.8
mp-569740
-8.718554
-0.055898
2.620358
other
Yb8Ni60B36
104
64
1,018.1
mp-1192533
-4.761567
-5.317526
0.581775
other
Sr12Al4As12
28
64
808.44
mp-1200944
2.524497
2.031682
1.836325
other
Pr20Si12N36
68
64
969.14
mp-759777
6.618329
13.705357
-2.287092
other
Mn2Co4O12
18
64
204.73
mp-754263
9.087338
9.026558
2.588977
other
Ho4Cu2O8
14
64
177.73
mp-28941
-3.983811
-1.078565
-5.448966
other
Hf4Ag8S12
24
64
495.89
mp-23508
1.366045
2.591573
-5.894938
other
Rb4Cu2Cl8
14
64
399.72
mp-641441
10.803971
11.097899
-2.162295
other
Pb4W4O16
24
64
317.44
mp-1246340
2.483593
2.085984
2.070698
other
Sc20Si12N36
68
64
793.83
mp-8977
2.637424
2.266807
1.169091
other
Ca8P4N12
24
64
301.64
mp-1212013
6.80069
10.248013
-0.994709
other
K8Co4O12
24
64
430.53
mp-1199522
-8.694992
-0.034062
2.600235
other
Er8Ni60B36
104
64
1,026.15
mp-768732
-1.296442
1.911527
-1.545668
other
Ba12Sr2I28
42
64
2,194.84
mp-568338
1.823557
1.943855
1.401596
other
Sr8Ge4N8
20
64
376.46
mp-5571
-8.695433
-0.054037
2.576542
other
Ho8Ni60B36
104
64
1,031.8
mp-754532
8.588919
15.136639
-0.696711
other
Li4Mn6O12
22
64
238.81
mp-1193753
8.088345
2.032889
-0.290048
other
Hf4N4F20
28
64
514.26
mp-1246653
2.35782
2.305251
1.397177
other
In20Ge12N36
68
64
992.73
mp-1177989
10.304586
1.834129
2.224566
other
Li4Fe6F16
26
64
329.61
mp-18952
8.001433
11.681804
1.948181
other
Ca8Mn4O14
26
64
337.76
mp-626864
11.891456
6.424341
-2.488556
other
U2H4O8
14
64
154.01
mp-29298
10.465524
12.081752
2.516062
other
Ba8Ti26O60
94
64
1,225.12
mp-17733
8.969589
0.351125
0.573251
other
Cs8Ni6F20
34
64
604.92
mp-16156
-5.978196
-1.300988
0.910812
other
Sr2Ni20P12
34
64
450.84
mp-621932
-1.091894
1.801269
-2.127029
other
K2Zr12I28
42
64
1,658.21
mp-1189724
7.176962
10.229919
-0.757873
other
Cs4Co4O8
16
64
305.89
mp-19034
10.507335
12.74004
-3.38931
other
Mg6V4O16
26
64
286.86
mp-11749
-7.159681
-6.12708
5.667481
other
Tm10Si4Sb4
18
64
444.68
mp-541715
-3.224659
-4.610675
0.949002
other
Ba12Ga4P12
28
64
868.27
mp-645124
10.76652
11.663808
-2.24904
other
Zn4W4O16
24
64
260.98
mp-1215155
-5.204214
-6.335818
1.137457
other
Ba84Cd16Bi72
172
64
7,131.81
mp-5476
8.342767
0.544036
1.599337
other
Cs8Mg6F20
34
64
604.86
mp-1180676
8.697805
9.663645
2.305094
other
La4Cu2O8
14
64
191.49
mp-1214451
7.288349
10.203446
0.377432
other
Ca8Cu10O20
38
64
466.11
mp-1198230
8.084978
6.427465
-5.193432
other
Ti8C8O36
52
64
847.35
mp-1103827
8.106522
2.377915
-1.142536
other
Cu2N4F8
14
64
204.29
mp-1213377
-8.136103
-0.0123
2.454524
other
Ga6Ni72B48
126
64
1,121.96
mp-754798
9.184278
8.330452
-2.198575
other
Bi4Se2O12
18
64
232.92
mp-1199895
-5.232073
-3.169916
5.877665
other
Ho6Si24Ru8
38
64
611
mp-973391
-3.363156
1.705778
2.752513
other
Li4Si4B24
32
64
281.68
mp-1245838
4.172002
2.391984
-3.216928
other
Pd4C8N8
20
64
425.18