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-736261
8.16846
1.087718
-4.503761
other
Sb16H32C8S28N4
88
64
1,578.61
mp-698416
8.372286
0.839768
-4.478856
other
Cd2H24C4N4Cl8
42
64
562.21
mp-722766
10.117506
3.156499
-3.834321
other
Ca4Hg4H64Br16O32
120
64
1,656.87
mp-557006
10.471398
4.537253
-6.766577
other
Na8Sb4S4O16F12
44
64
582.36
mp-703293
3.21712
2.862945
-4.319411
other
P20H4C4N12Cl72
112
64
2,836.47
mp-1210711
11.132142
7.421171
-2.531157
other
Mg4Mn4Zn4Si4O24
40
64
451.97
mp-1228553
9.318708
9.314916
0.889619
other
Ba4Na2Sr4Sb6O24
40
64
575.08
mp-568514
3.166028
2.738137
-4.122936
other
B4P4Br8N4Cl12
32
64
904.9
mp-1204858
9.580545
3.299681
-4.426426
other
K8P4H16Se12O8
48
64
925.41
mp-707441
8.504389
1.199756
-4.256958
other
Sn2H24Pt2N8Cl12
48
64
718.51
mp-1195142
12.920117
6.23101
-0.582761
other
Cs16Er8Si48O112F8
192
64
3,224.78
mp-1205470
10.169877
3.104928
-3.861799
other
Ca4Hg4H64Br16O32
120
64
1,625.93
mp-1208188
11.48651
4.670889
-4.15214
other
U4Co2Si4H28O36
74
64
806.2
mp-699213
12.887407
5.673175
-6.198247
other
Cs2Zn4P4H2O16
28
64
407
mp-15543
13.005239
6.180488
-0.735189
other
Na4Li4Zr4Si24O60
96
64
1,317.23
mp-1203841
11.884466
5.315986
-5.130576
other
Li4V4P4H16O28
56
64
543.31
mp-622268
-4.167463
-2.707747
-4.609289
other
Ba4Zn2Ag4Se4O4
18
64
381.67
mp-1196244
11.010685
8.031585
-3.320823
other
Mn14Zn8Si4As4O48
78
64
910.98
mp-1020705
13.055737
5.621703
-6.542187
other
Rb8Li12B4P16O56
96
64
1,252.06
mp-735131
9.650254
1.031081
0.02497
other
Sr8Fe8H8O4F40
68
64
873.06
mp-1198506
7.970508
0.48628
-4.479496
other
Cu16H72C24S12I16
140
64
2,200.3
mp-1019778
13.053542
5.690248
-6.551784
other
K8Li12B4P16O56
96
64
1,210.04
mp-1197784
-3.632446
-2.357087
-5.419479
other
Ba8Mn2Ga4S12F8
34
64
767.42
mp-554602
6.278985
5.268739
-4.668579
other
Rb4Pd2N4Cl4O8
22
64
477.46
mp-698417
8.524584
0.847555
-4.46351
other
Mn2H24C4N4Cl8
42
64
487.89
mp-1020163
12.534304
6.44449
-0.652407
other
Na12Li8Al4Si8O32
64
64
758.63
mp-1212184
9.502114
11.203794
-3.06759
other
Mn24Zn12Si4As8O80
128
64
1,483.85
mp-40873
9.94462
11.14395
3.277976
other
Ba3Na2Ti3Nb2O15
25
65
326.08
mp-684786
6.123793
8.669302
-1.086876
other
K2Ba6Yb3Bi5O24
40
65
660.47
mp-1218229
10.588191
8.800715
2.505501
other
Sr1La4Ti1Al4O15
25
65
283.51
mp-1228154
6.946037
9.887859
0.787858
other
Ba4Yb1Pr1Cu6O14
26
65
359.26
mp-1229203
7.165754
9.743069
1.048602
other
Ba10Pr1Y4Cu20O40
75
65
1,040.67
mp-684872
9.863839
10.842533
2.589067
other
Ba4La6Ti4Cr6O30
50
65
625.15
mp-1228157
9.690717
10.452964
3.215672
other
Ba4Sc1Ti4Bi1O15
25
65
330.46
mp-2230596
9.887368
8.801928
2.427091
other
Ba2Pr4Mg1Cu2O10
19
65
327.87
mp-1228182
7.221296
9.742749
1.184625
other
Ba4Pr1Y1Cu6O14
26
65
363.29
mp-2230007
-3.666913
-1.196779
-5.479068
other
Cs4Mg1Ti2Ag4S8
19
65
547.77
mp-1227920
9.91944
10.868394
2.423714
other
Ba2La4Ti2Cr4O18
30
65
373.26
mp-1227678
9.982614
10.957931
2.15034
other
Ba1La4Ti1Cr4O15
25
65
307.49
mp-2230093
-3.975965
-1.213846
-5.608661
other
Rb4Mg1Ti2Cu4S8
19
65
449.09
mp-684769
8.907415
9.583694
2.455767
other
Sr2La6Ti1Cu3O16
28
65
386.92
mp-1229306
8.998285
8.786915
2.577863
other
Ba2La2Sm2Cu2O10
18
65
272.31
mp-559339
7.039737
10.172863
0.286147
other
Sr8Tl3Cr1Cu4O20
36
65
507.79
mp-862811
12.932586
7.529323
-0.434087
other
Cs2K1U2Si4O14
23
65
388.35
mp-1228142
9.572686
10.782623
3.232778
other
Ba16La4Ti16Cr4O60
100
65
1,294.65
mp-1228518
8.904148
8.974017
2.355958
other
Ba2La4Cu1Pt1O10
18
65
285.4
mp-1302239
7.537292
10.855733
2.052897
other
Sr8La8Mn4Zn4O32
56
65
763.72
mp-1228601
7.087274
9.751621
0.939501
other
Ba4Pr1Eu1Cu6O14
26
65
365.74
mp-667498
10.172061
9.054948
2.450524
other
Ba16Ca2Y4U8O48
78
65
1,353.53
mp-766091
10.206981
10.881485
3.224547
other
Li4La5Ti6Nb2O26
43
65
521.15
mp-1224235
11.104898
8.752823
1.419725
other
K6Ba2Ca1U6O24
39
65
667.96
mp-1229217
7.171405
9.735412
1.044487
other
Ba10Pr1Y4Cu20O40
75
65
1,047.36
mp-684820
9.642481
10.838664
3.134819
other
Ba6La4Ti6Cr4O30
50
65
636.28
mp-1228680
7.167781
9.711503
1.013832
other
Ba6Pr2Y1Cu12O24
45
65
640
mp-41732
9.890081
10.875856
2.41431
other
Ba3La6Ti3Cr6O27
45
65
560.73
mp-1228409
9.839398
10.312949
3.198033
other
Ba2Sc1Ti2Bi1O9
15
65
199.27
mp-1232343
8.279078
8.572993
-0.093877
other
Sr6La2Ta2Al6O24
40
65
468.73
mp-1228560
7.164867
9.684688
1.029953
other
Ba6Nd2Y1Cu12O24
45
65
638.26
mp-1518023
6.833619
10.980936
0.18783
other
Li2Tb2Pr2Ni2O12
20
66
232.25
mp-1209149
9.034798
9.398305
1.381053
other
Sr4Dy2Cu4Bi4O16
30
66
454.11
mp-1209034
9.028936
9.365771
1.438858
other
Sr4La2Cu4Bi4O16
30
66
468.93
mp-1208863
9.034482
9.493025
1.355433
other
Sr4Y2Cu4Bi4O16
30
66
452.27
mp-1520041
9.376722
9.143697
2.186819
other
Sr2Ca2La2Sb2O12
20
66
305.92
mp-1520915
5.904214
8.589778
-0.137177
other
Sr2Ca2Gd2Bi2O12
20
66
308.19
mp-1208674
8.490577
9.282784
1.097806
other
Sr4Yb2Cu4Bi4O16
30
66
446.88
mp-1208800
8.597825
9.342131
1.08389
other
Sr2Ca4Cu4Bi4O16
30
66
451.83
mp-1228279
9.283136
9.297818
0.89351
other
Ba6Na2Sr2Sb6O24
40
67
587.98
mp-1209081
8.178883
10.677378
1.035153
other
Sr4Ca2Fe4Bi4O18
32
67
486.61
mp-1227616
7.826399
11.298869
1.96928
other
Ca4Nd4Mn2Ni2O16
28
67
357.6
mp-691065
11.110068
8.752584
1.411465
other
K12Ba4Ca2U12O48
78
67
1,328.62
mp-730074
7.465836
3.106757
-4.6466
other
Rb4Ca2H16N24O8
54
68
696.94
mp-707762
7.520288
3.097481
-4.652604
other
K4Ca2H16N24O8
54
68
654.56
mp-1244512
6.415401
4.944489
-4.468003
other
K2Co1Pb1N6O12
22
69
304.93
mp-12161
6.363026
4.979125
-4.46363
other
K2Sr1Cu1N6O12
22
69
308.48
mp-1233002
9.061491
10.590557
1.946415
other
Sr4Li1Mn2Ga2O10
19
69
265.62
mp-7680
6.343639
4.974294
-4.4605
other
K2Ca1Cu1N6O12
22
69
298.02
mp-1227966
8.111362
8.902976
1.28781
other
Ba2La2Eu2Zn2O10
18
69
273.99
mp-1218862
10.685892
8.086184
2.032078
other
Sr4Ca2Al2O8F2
18
69
249.93
mp-1173287
8.19998
9.679642
1.351647
other
Sr2Ca2Cu3Bi1O8
16
69
223.3
mp-1233475
10.552342
10.092236
1.667608
other
Sr4Mg1Mn2Ga2O10
19
69
281.24
mp-1233350
10.458321
10.077307
1.707379
other
Sr4Ca1Mn2Ga2O10
19
69
287.01
mp-1239379
6.416602
4.931313
-4.49684
other
Rb2Co1Pb1N6O12
22
69
310.74
mp-12145
6.359136
4.996256
-4.454361
other
K2Ba1Cu1N6O12
22
69
338
mp-1218585
6.882341
10.786117
1.067932
other
Sr4Y2Fe2Cu4O15
27
69
339.63
mp-1303430
7.473022
10.84264
2.027526
other
Sr4La4Mn2Zn2O16
28
69
382.23
mp-18823
6.438007
4.936106
-4.432073
other
K2Ba1Co1N6O12
22
69
315.67
mp-1228152
7.305623
9.875103
1.255356
other
Ba4Y2Cu5Pd1O14
26
69
362.38
mp-1203063
8.129336
2.219767
-1.154788
other
As16P8H8Cl24F88
144
62
2,633.6
mp-1200198
8.059131
7.294397
-4.944047
other
Cd8Cu8P8S4O68
96
62
1,337.58
mp-1204626
8.764536
3.63244
-5.758731
other
Na4U8H20C16O60
108
62
1,531.73
mp-1196682
7.811569
1.603332
-4.155908
other
Cu4H48Pt4C16N32
104
62
1,252.01
mp-1203862
11.016219
3.999141
-4.622298
other
U4P8H40C4O44
100
62
1,108.18
mp-561414
2.424985
2.053374
-5.171962
other
K12Hg12S8Br20O24
76
62
1,876.58
mp-1203514
12.066078
6.861714
-4.438725
other
K4Na4Al8As8O36
60
62
816.33
mp-863012
8.260449
0.753861
-4.508949
other
Cd4H40C12N4Cl12
72
62
915.93
mp-558504
10.158324
8.898414
-1.630503
other
Ba8Zn8Te8Cl16O24
64
62
1,420.11
mp-849222
8.89565
1.429534
-4.226851
other
Fe4H40N8Cl20O4
76
62
994.51
mp-542869
4.296617
2.532811
-3.39644
other
Cd4Fe4C20N24O4
56
62
1,208.21
mp-1239240
8.316557
0.914367
-4.411777
other
H24Pb4C4Br12N4
48
62
877
mp-1191868
6.018999
3.309693
-3.861495
other
C8S4N4O4F4
24
62
429.67