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-1199273
8.033311
2.504558
-2.200803
other
Cs6B6H6C18O6F54
96
176
1,444.69
mp-698475
12.487179
5.162271
-5.588088
other
K8Er2P12H12Cl2O42
78
176
1,069.81
mp-540956
9.771787
3.268755
-3.97494
other
Y2H36C6S6O36F18
104
176
1,241.7
mp-1192391
8.661446
3.72342
-7.427726
other
Rb2Li4Cd2C4O12F2
26
176
336.71
mp-543032
9.755058
3.258533
-3.902892
other
Nd2H36C6S6O36F18
104
176
1,266.36
mp-1212004
11.878922
4.867076
-5.257814
other
Li6Ni6B6P12H36O66
132
178
1,238.01
mp-1211027
11.461868
5.471106
-5.704355
other
Na6Co6B6P12H24O66
120
178
1,252.54
mp-1238728
9.296856
7.211025
-5.475594
other
Li6Co6B6P12H12O66
108
178
1,393.1
mp-1181350
5.221799
3.091745
-3.73494
other
K4Co2C8S8N8O6
36
18
968.85
mp-1196601
5.026756
2.902985
-3.755768
other
K4Co2C8S8N8O6
36
18
797.85
mp-1181726
5.019
3.077142
-3.780164
other
K4Co2C8S8N8O6
36
18
984.5
mp-1204154
4.720113
2.8003
-3.746657
other
K4Co2C8S8N8O6
36
18
927.56
mp-1197963
-2.055599
-0.951235
-5.324431
other
K6Sm2Ga6B24S24I2
64
182
1,372.41
mp-1208597
2.582316
2.442236
1.506291
other
Sr2Yb2Al6Si2N8O6
26
186
332.17
mp-1214205
2.583991
2.449169
1.513337
other
Ba2Yb2Al6Si2N8O6
26
186
338.49
mp-1208635
2.686691
2.30023
1.936036
other
Sr2Er2Al6Si2N8O6
26
186
325.91
mp-1214427
2.691204
2.277881
1.892206
other
Ba2Er2Al6Si2N8O6
26
186
331.08
mp-557801
10.773454
12.240522
-3.499754
other
K2Ba6Ca8V14Cu6O56
92
186
1,408.58
mp-16283
12.580322
6.678523
-1.159535
other
K2Na4Li6Fe4Si24O60
100
192
1,289.06
mp-851120
13.465831
6.665829
-0.684408
other
K2Na4Li6Zr4Si24O60
100
192
1,308.76
mp-16282
12.906076
6.46533
-0.982109
other
K2Na4Li6Cr4Si24O60
100
192
1,271.16
mp-542688
5.947106
2.282122
-3.8877
other
La2H12Au6C12N12O6
50
193
753.73
mp-23772
6.038159
2.304174
-3.990445
other
Tb2Ag6H12C12N12O6
50
193
732.78
mp-559534
8.944755
9.537198
2.197263
other
Ba10Al4In4Ir2Cl2O26
48
194
781.6
mp-542264
8.848519
3.457034
-7.199132
other
Ba2Na2Ce4C8O24F2
42
194
532.24
mp-553914
9.184326
7.993038
-3.335385
other
K2Cd2Cu14Se4Cl18O16
56
194
1,075.13
mp-1199484
12.245259
5.802201
-6.071912
other
Li4Cu8B4P8H8O40
72
19
770.57
mp-604327
8.319544
1.964946
-4.532645
other
Ni4H72C16S24N32O16
164
19
2,325.57
mp-1213511
7.850358
9.679102
-3.819912
other
K20U4Cr12H12N4O68
120
19
2,068.42
mp-1199786
11.010028
3.76858
-4.931844
other
Zn20P16H48C8N8O64
164
19
1,845.93
mp-699932
13.175286
8.451938
-6.154332
other
Ba12Li8Mo16P24Cl8O112
180
19
2,736.4
mp-744395
8.437879
1.97641
-4.535887
other
Ni4H72C16S24N32O16
164
19
1,854.91
mp-1195410
9.600886
2.977123
-4.665301
other
U8H72C16Se12N8O68
184
19
2,258.64
mp-707294
9.239341
1.832149
-4.524302
other
Zn4P8H60C20N4O36
132
19
1,328.13
mp-1205257
7.814304
0.18297
-4.54635
other
Cd8Si24P8H216C72I16
344
19
5,045.15
mp-1182830
6.49896
3.874922
-4.730527
other
K4Ca4Co4C24S24O40
100
19
1,943.98
mp-1202331
7.864866
0.276291
-4.457824
other
Mo4P12H108C36I8O4
172
19
2,383.34
mp-1201712
8.375757
2.170097
-4.667592
other
H28C8S8N16Cl4O12
76
19
937.74
mp-1195161
9.134696
2.162253
-4.472756
other
U4H72C16Se8N8O44
152
19
1,655.78
mp-1200340
8.396091
1.181071
-4.420548
other
Mo4H80C28N4Cl4O24
144
19
1,545.73
mp-603406
9.243052
1.899368
-4.343648
other
Co4H84C8N24Cl8O20
148
19
1,336.92
mp-1213331
11.268688
3.619131
-4.845329
other
Ga8P8H36N8O36F4
100
19
970.6
mp-1197634
9.78387
2.052128
-4.400812
other
Al8P16H128C16N24O64
256
19
2,530.85
mp-738680
8.341014
0.806611
-4.468832
other
Zr4H108C32N8Cl20O8
180
19
2,126.21
mp-849785
8.925734
1.423266
-4.115932
other
Na4Cr4H88N24Cl16O8
144
19
1,514.83
mp-1215142
7.490535
2.747897
-3.177146
other
Ag4B4H4C48N36F72
168
19
2,234.39
mp-1197796
6.619622
3.995389
-4.825083
other
K4Ca4Co4C24S24O40
100
19
1,936.18
mp-1198755
7.820549
0.187094
-4.523304
other
Cd8Si24As8H216C72I16
344
19
5,151.38
mp-1196083
4.625769
2.371871
-3.490955
other
K4H8Au4C16N16O4
52
19
896.86
mp-560721
12.724083
6.425152
-0.654383
other
Na4Ca4Be4Si8O24F4
48
19
543.21
mp-1220843
12.740895
6.289602
-0.374728
other
Na8Al6Si6Br1Cl1O24
46
195
726.33
mp-1220856
12.749422
6.266278
-0.362661
other
Na8Al6Si6I1Cl1O24
46
195
741.53
mp-1196318
12.769481
5.571324
-6.324541
other
Cs8Li12B12P24Pb8O96
160
198
2,174.19
mp-1019609
12.983339
5.382552
-6.266274
other
Cs8Sr8Li12B12P24O96
160
198
2,135.91
mp-1197282
7.821714
0.2627
-4.472041
other
Cu8Sn24H216C72N8Cl8
336
198
4,349.94
mp-1204043
9.238417
1.771539
-4.249134
other
Co4H72C4N24Cl4O12
120
198
1,049.34
mp-1195775
11.325044
3.534184
-4.558713
other
B4P4H16N4O16F4
48
198
457.89
mp-1202262
10.719872
3.697646
-4.165458
other
Na4Ca4P4H72S4O48
136
198
1,278.07
mp-1201060
10.750025
3.688841
-4.162196
other
Na4Sr4P4H72S4O48
136
198
1,260.84
mp-1226951
-3.128429
0.400791
-3.672316
other
K16Re24Te4C24S28N24
120
199
2,711.41
mp-709432
8.365307
3.388768
-3.555966
other
Na4H12C16S16O48F48
144
199
2,265.91
mp-560036
12.595836
6.406717
-0.773352
other
Li8Ca12Be12Si12O48F8
100
199
1,098.78
mp-1200392
9.799982
3.464027
-5.20099
other
U12H48C16S14N4O84
178
20
2,320.31
mp-1202441
9.041046
1.682397
-4.15617
other
Cr4Ni4H128N26Cl22O24
208
203
2,215.61
mp-555611
-3.097632
0.465178
-3.633739
other
Cs12K4Re24C24S32N24
120
206
2,953.05
mp-1213559
-3.085156
0.340022
-3.703214
other
K16Re24Te8C24S24N24
120
206
2,789.5
mp-1235184
9.302312
9.424309
1.704962
other
Sr4Li1Mn2Cu3S4O4
18
21
300.42
mp-1223559
4.060246
2.26621
-3.156995
other
K1Cr1Cd1C6N6O1
16
216
349.7
mp-1209017
2.908986
2.483867
1.81371
other
Sr1Pr12Al12Si18N36O18
97
217
1,230.19
mp-1203580
12.089949
6.912801
-0.747786
other
Na8Ga6Ge6B2H8O24
54
218
789.47
mp-535042
12.359792
6.440851
-0.507597
other
Na8Al6Ge6B2H8O24
54
218
763.5
mp-694981
12.97455
5.964096
-0.836176
other
Na8Al6Si6B2H8O24
54
218
689.47
mp-534870
12.794245
6.096108
-0.956066
other
Na8Ga6Si6B2H8O24
54
218
738.95
mp-1196037
9.106761
2.447673
-4.654843
other
Zn1H20Pd1C4N4O12
42
23
419.48
mp-1197007
9.129083
2.472574
-4.670731
other
Ni1H20Pt1C4N4O12
42
23
410.98
mp-1201334
9.149434
2.497041
-4.682581
other
Ni1H20Pd1C4N4O12
42
23
402.75
mp-1197411
9.147279
2.440038
-4.662345
other
Co1H20Pt1C4N4O12
42
23
405.1
mp-1199354
9.084264
2.40618
-4.653537
other
Zn1H20Pt1C4N4O12
42
23
411.6
mp-1233335
10.708478
9.370205
-0.642507
other
Ca1Bi3Pb1W1Cl1O8
15
25
286.43
mp-1235388
7.903552
9.915206
1.622973
other
Ba2Li1Sm1Co1Cu2O7
14
25
195.97
mp-1219608
10.686069
10.889605
3.065745
other
Rb1La1Ti1Nb1O6F1
11
25
171.2
mp-2228249
9.610385
10.269445
1.596918
other
Ba1Y1Mg1Co1Cu1O5
10
25
148.91
mp-2228455
9.208352
10.634215
1.906505
other
Ba2Y1Mg1Mn2Tl1O7
14
25
247.63
mp-2224210
9.440188
10.362991
1.594736
other
Ba1Y1Mg1Cu1Ni1O5
10
25
145.8
mp-2222935
8.557059
9.528351
1.451507
other
Ba1Y1Mg1Cu1Ag1O5
10
25
169.27
mp-2240386
10.296575
9.970035
1.782754
other
Ba1Y1Mg1Mn1Cu1O5
10
25
154.78
mp-1235462
8.131314
9.803081
1.615716
other
Ba2Li1Sm1Co1Cu2O7
14
25
196.58
mp-2232000
11.522089
9.741925
2.439794
other
K2Na2Nd2Mg1Nb2O10
19
25
309.92
mp-2229142
11.535658
10.132901
1.300715
other
Sr4Mg1V2Fe2As2O6
17
25
317.8
mp-2219163
11.851815
10.479156
2.55417
other
La1Mg1Ta2Cu1Cl1O7
13
25
192.33
mp-2231510
11.535787
9.710985
2.4413
other
K2Na2Pr2Mg1Nb2O10
19
25
309.37
mp-2229452
8.848145
10.011369
1.612885
other
Sr4Mg1Mn2Cu2S2O6
17
25
299.73
mp-1219604
10.890797
10.875394
3.028318
other
Rb1Pr1Ti1Nb1O6F1
11
25
170.03
mp-2240651
10.634287
10.307626
1.424746
other
Ba1Y1Mg1Fe1Cu1O5
10
25
158.05
mp-1218645
7.686359
10.477256
1.655203
other
Sr4Ce1Y3Fe2Cu4O18
32
25
423.11
mp-1235043
7.885407
10.024697
1.614323
other
Ba2Li1Sm1Co1Cu2O7
14
25
218.68
mp-2242117
10.843972
10.096411
1.586714
other
Ba1Y1Mg1Cr1Cu1O5
10
25
150.88
mp-2229607
11.600612
10.197514
1.314113
other
Sr4Mg1V2Fe2As2O6
17
25
309.19
mp-2241473
8.249757
9.403761
1.460156
other
Ba2Y1Mg1Tl1Cu2O7
14
25
227.83
mp-1235744
7.867299
9.87626
1.562299
other
Ba2Li1Sm1Co1Cu2O7
14
25
204.55