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-26981
11.29917
8.037235
-8.021293
other
Li2Mn2P4O14
22
4
269.8
mp-758737
12.186562
7.578735
-7.498012
other
Li2Fe2P8O24
36
4
449.99
mp-1227891
-3.328789
-0.288832
-5.075648
other
Cs4W6S16O8
34
4
1,101.86
mp-1196399
4.387506
2.752863
-3.598992
other
Hg4C16N4Cl12
36
4
1,137.62
mp-1227999
-2.692975
0.576975
-3.873221
other
Cs6Re12S14Cl14
46
4
1,371.81
mp-782034
11.251037
11.045031
3.358008
other
Y4Nb8N4O20
36
4
473.53
mp-1226074
-6.308428
-2.503612
-0.122028
other
Co2Ni2Sb4S4
12
4
203.4
mp-972831
3.198855
2.527714
1.601024
other
Si2Ge2N4O2
10
4
129.67
mp-697913
11.982419
4.990852
-5.192956
other
Hf2P4H12O20
38
4
444.76
mp-863755
-3.408136
-1.657044
-5.583391
other
K2Y2Ge2S8
14
4
364.89
mp-1192871
8.686641
5.836457
-6.271457
other
Tl4V2S4O20
30
4
516.02
mp-18463
12.980571
5.574805
-6.111108
other
Rb4Zn4P4O16
28
4
450.07
mp-26337
13.183204
7.971756
-7.684795
other
Li6Cr6P8O32
52
4
608.71
mp-1176911
13.119282
7.441074
-7.759641
other
Li14Mn8P16O56
94
4
1,093.56
mp-1204286
8.837909
1.205298
-3.926393
other
Sb2H72S8N22
104
4
1,082.74
mp-759430
13.200848
7.537652
-7.214478
other
Li2Cr2P8O24
36
4
432.95
mp-1208397
12.757012
8.649109
-5.841347
other
Tl4Mo8P12O52
76
4
1,217.07
mp-758355
13.188696
8.940301
-7.288489
other
Li8V8P8O40
64
4
835.4
mp-17770
13.06984
5.909747
-6.578841
other
Cs2Pr2P8O24
36
4
575.71
mp-555191
12.100419
7.074423
0.404402
other
La6Si4Cl6O14
30
4
498.78
mp-540962
13.175109
5.863318
-6.762601
other
K2La2P8O24
36
4
524.86
mp-26285
9.71162
7.702843
-5.694536
other
Li4Bi8P12O48
72
4
1,067.36
mp-1220740
10.967972
5.70003
-3.041807
other
Pr4B24Br4O54
86
4
1,200.01
mp-1216243
7.827018
6.337183
-5.300058
other
Zn6Cu4C4O24
38
4
435.58
mp-17605
13.134291
5.91736
-6.538198
other
Cs2Nd2P8O24
36
4
592.08
mp-1338522
-3.075109
-2.309686
-5.932583
other
Y16Cu6Ge6S42
70
4
1,482.38
mp-6481
12.849065
6.205999
-0.722291
other
Na4Zn2Si6O16
28
4
373.11
mp-19103
13.19354
7.775784
-7.568244
other
Li2Cr2P4O14
22
4
264.64
mp-753779
12.226217
7.850115
-8.305019
other
Li2Mn4P4O16
26
4
305.05
mp-728416
8.466479
1.693251
-0.349262
other
Rb8Te8O8F28
52
4
980.48
mp-760629
12.467186
6.607603
-6.380205
other
Li2Bi2P4O14
22
4
300.35
mp-1250066
-3.119469
-2.288103
-6.023668
other
Y16Cu6Si6S42
70
4
1,454.91
mp-757805
14.046255
7.929689
-6.776019
other
Li2V2P8O24
36
4
453.66
mp-1105449
-4.172914
-2.52938
-3.28827
other
Sm2Tl2P4Se12
20
4
555.04
mp-1239158
-5.518669
-0.209363
-5.69745
other
Ta4Cr12Cu8S32
56
4
962.38
mp-758770
10.849708
12.463963
1.994337
other
Li4Mg6Ti12O32
54
4
609.46
mp-1224778
9.058745
2.821338
-4.644189
other
H40S2N16O26
84
4
768.31
mp-1201217
9.442696
8.146914
-3.961809
other
Cs4V4Se4O20
32
4
591.21
mp-1103144
4.568107
3.608112
-3.976949
other
C2Br2N6O2
12
4
242.34
mp-1666120
14.961204
7.94236
-5.135035
other
Li4Cr4P4O16
28
4
314.84
mp-1209355
11.622464
5.514613
-2.782839
other
Sr4B22H2O42
70
4
848.43
mp-1193943
8.932768
7.459302
-4.686301
other
Na4Ca2P4O16
26
4
361.06
mp-867606
10.754569
7.928575
-7.023572
other
Li2Ni2P8O24
36
4
485.89
mp-1212807
8.05818
2.174085
-4.670355
other
H32C8N40O8
88
4
976.62
mp-1199268
8.686861
6.736794
-4.439082
other
Na8Cr8H16O36
68
4
877.36
mp-757346
14.779649
7.874909
-5.348239
other
Li4Cr4P4O16
28
4
369.48
mp-976313
9.806201
4.619353
-7.013177
other
K6V2S4O20
32
4
553.84
mp-757381
14.759352
7.884784
-5.467946
other
Li4Cr4P4O16
28
4
351.06
mp-557089
12.90769
5.747182
-6.338214
other
Rb4Zn6P8O28
46
4
720.33
mp-1221271
8.799281
1.1249
1.409312
other
Na6Be6Pb4F26
42
4
573.46
mp-753874
12.604083
6.971774
-1.34523
other
Li4Si4Ni2O12
22
4
231.04
mp-780469
7.703549
13.459136
-1.092196
other
Li8Cr4Ni10O24
46
4
423.78
mp-863403
14.606998
7.950149
-4.045497
other
Li2Nb2P4O14
22
4
294.45
mp-752810
14.538013
8.321008
-6.572124
other
Na4V4P8O28
44
4
561.14
mp-728140
9.916409
8.721208
-6.324883
other
Ba2V4P8O34
48
4
626.44
mp-1639002
10.180176
0.700369
-1.287208
other
Li2Co6O4F12
24
4
258.96
mp-1338706
-4.44746
-3.786212
-3.777932
other
Y16Cu6Ge6Se42
70
4
1,703.33
mp-770967
13.883128
7.321788
-7.20847
other
Li8Mn4P8O28
48
4
595.32
mp-756323
12.60358
7.553929
-4.449049
other
Li4Cu2As2O8
16
4
195.57
mp-600151
3.347313
-0.637027
-2.471771
other
K2Na4Al2H12
20
4
355.31
mp-1212229
10.390751
7.18481
-6.207701
other
In4P6H6O20
36
4
504
mp-777269
10.236729
2.435581
0.514833
other
Li2V6O2F22
32
4
436.79
mp-1217452
10.251161
9.881165
0.817842
other
Ti6Fe2Bi10O30
48
4
630.95
mp-562302
-3.351743
-1.635345
-5.705871
other
K2Eu2Si2S8
14
4
367.71
mp-863431
12.780884
6.706051
-1.145621
other
Li4Si6Ni2O16
28
4
337.28
mp-559234
13.149619
5.83017
-6.644941
other
Cs2La2P8O24
36
4
608.78
mp-26829
12.996237
7.362605
-7.112246
other
Li2Cr2P8O24
36
4
517.21
mp-26637
14.480179
8.700849
-4.571074
other
Li6Mo6P8O32
52
4
665.14
mp-1147724
-2.414424
-0.497323
-5.605013
other
Li16Zn4P8S32
60
4
1,250.41
mp-1227250
7.597161
2.403026
-1.426455
other
Co2Sb4N12F18
36
4
746.51
mp-1227186
11.814926
7.605788
1.373486
other
Ca2La2Al6O14
24
4
322.69
mp-26995
10.203837
8.116117
-6.764966
other
Li2Co2P4O14
22
4
262.41
mp-1192685
8.444511
1.345829
-4.23135
other
Zn2H12Se8N4
26
4
454.83
mp-734142
10.879687
6.817439
-2.27307
other
Al8Si12H12O48
80
4
1,064.1
mp-1220030
3.747097
2.641277
-3.564661
other
Sb4C12Br18N6
40
4
1,203.19
mp-758641
6.749805
13.571766
-1.282167
other
Li8Fe4Ni10O24
46
4
429.69
mp-752540
8.011411
4.238855
-7.037548
other
Li4Mn4C8O24
40
4
497.35
mp-689973
9.443231
8.059938
-5.687112
other
Li4Fe2P4O16
26
4
290.04
mp-1193297
7.284237
5.82904
-4.831343
other
Li2S4N6O16
28
4
502.9
mp-1222219
14.598766
8.046187
-5.820917
other
Mn6Fe6P8O32
52
4
642.9
mp-1189942
9.735677
5.496936
-4.435364
other
Li4H4Se2O10
20
4
238.8
mp-1227170
11.299786
7.729455
1.037058
other
Ca2Nd2Ga6O14
24
4
337.43
mp-556592
-2.501183
-0.49932
-5.389703
original
Tl2Bi2P4S12
20
4
514.91
mp-758156
13.857183
6.911989
-6.099806
other
Li6Sn6P8O32
52
4
707.38
mp-1228564
12.747182
6.308641
-0.533038
other
Ba4Si6Ge2O20
32
4
517.22
mp-504340
13.564618
6.902175
-6.180066
other
Li2Sb2P8O24
36
4
590.59
mp-863391
8.742463
7.974188
-5.097858
other
Li4Co8P12O48
72
4
910.54
mp-1212804
8.309552
2.809771
-4.811447
other
H28C16N36O24
104
4
1,208.13
mp-1194809
-3.581955
-1.248358
-5.240807
other
Rb16Cu12As16S38
82
4
2,214.76
mp-1216433
11.770015
8.12951
-6.202488
other
V2Cd4P2O14
22
4
304.76
mp-772395
10.30253
12.587547
-4.41862
other
Li2V2O4F4
12
4
140.6
mp-1228703
-3.280611
-1.267184
-5.540982
other
B2Sb2Pb2S8
14
4
352.53
mp-1223363
8.962913
5.057511
-5.268099
other
K2S2O4F2
10
4
190.7
mp-1643412
6.338257
13.756898
-1.69264
other
Li4Fe2Co4O12
22
4
233.39
mp-757610
12.429076
11.098845
-1.852772
other
Li4P4W8O32
48
4
661.14
mp-1147721
-2.413751
-0.496867
-5.60656
other
Li8Zn2P4S16
30
4
627.03
mp-1181810
9.521482
5.087048
-6.876656
other
K12V8S16O72
108
4
1,732.84
mp-1226082
7.911034
5.295908
-6.03479
other
Cu6Ni2C4O20
32
4
333.63
mp-1219882
9.707189
7.576887
-5.541195
other
Pu2P4C2O14
22
4
347.86
mp-1197284
13.685468
4.465838
-2.35835
other
B12Pb6O22F4
44
4
558.42