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-1215819
-7.941054
0.420717
4.432299
other
Y1V2Fe5Co5
13
44
166.27
mp-2227095
9.144491
9.356462
1.509142
other
Sr2Mg1Cu1O3
7
44
133.1
mp-2232228
-5.483778
-0.924231
-3.989378
other
Mg1Cu2Ir4S8
15
44
267.68
mp-2232113
10.175973
12.441051
-0.667944
other
Mg1Fe4Hg2O8
15
44
192.14
mp-2232705
-5.52406
-0.659909
-4.534228
other
Mg1Zn2Co4S8
15
44
241.24
mp-759688
10.469205
0.716125
0.470317
other
Li4Co8O4F12
28
44
320.3
mp-1225296
-7.516948
0.920572
4.838283
other
Gd1Ti1Fe11C1
14
44
176.75
mp-2232124
11.581322
7.999552
-1.268455
other
Mg1Cu4Ge2O8
15
44
195.04
mp-2232541
9.852299
12.571951
-0.67137
other
Mg1Fe4Ni2O8
15
44
166.85
mp-1216048
8.120553
13.386378
-1.241312
other
Zn3Fe12Co2O24
41
44
470.87
mp-1225264
-5.10971
-0.883246
-4.882373
other
Fe3Cu1Sn2S8
14
44
254.67
mp-2232455
12.46864
11.961956
-0.301474
other
Mg1V2Zn4O8
15
44
169.86
mp-2227405
12.861883
10.274126
1.930381
other
Mg1Ti1Nb1O4
7
44
80.45
mp-2227446
2.132333
2.087128
-3.873812
other
Mg1V1Br2O1
5
44
141.96
mp-1216426
-7.381539
-1.013746
6.150775
other
U1Al7Ga1Fe4
13
44
195.51
mp-2232835
12.212976
11.809886
-0.366682
other
Mg1V2Fe4O8
15
44
191.1
mp-2240166
7.573033
6.091158
-3.791726
other
Mg1Cu2O4F2
9
44
101.06
mp-2226718
11.215876
10.820546
0.057913
other
Mg1Mn1Sb1O4
7
44
92.67
mp-1236165
8.809839
13.652072
-0.514203
other
Li1Ti1Fe1O4
7
44
73.47
mp-1106222
10.957187
6.854457
-2.257881
other
Zn4Si2H2O10
18
44
238.4
mp-2232206
-5.482623
-0.688394
-4.670568
other
Mg1Zn2Co4S8
15
44
247.36
mp-2232359
9.219528
14.000387
-0.574325
other
Mg1Mn4Cu2O8
15
44
188.64
mp-1383877
12.744337
10.645687
0.254451
other
Ta1Zn2W1O6
10
44
128.19
mp-1219051
-7.506181
0.804872
4.910236
other
Sm1Ti1V1Fe10
13
44
172.84
mp-1290535
8.900864
3.586885
-7.579085
other
Li4Fe4C6O18
32
44
351.07
mp-1180362
8.21146
6.561677
-5.032887
other
Na2Sr1P4O18
25
44
375.3
mp-1235144
12.730236
8.389684
0.20937
other
Li1Al4Cd2O8
15
44
166.44
mp-754813
10.194589
2.268246
2.313026
other
Li4Fe8O4F12
28
44
339.48
mp-1101935
6.930439
1.356741
-3.779828
other
Li4Mg1H3N3
11
44
94.86
mp-2218405
6.342174
10.504181
-1.632137
other
Mg1Co2Bi2O8
13
44
179.26
mp-2225304
12.833056
10.807697
0.99608
other
Mg1Nb1V1O4
7
44
78.79
mp-2227371
10.552193
9.221928
0.171067
other
Mg1Sn1Bi1O4
7
44
118.21
mp-1226381
-5.711791
-0.441399
-5.189914
other
Cr4Co2Se2S6
14
44
241.54
mp-1235298
11.400143
8.918825
2.659315
other
Li1Pr2Pa2O8
13
44
173.8
mp-2215998
11.81969
12.427212
0.744764
other
Mg1Ti1Fe1O4
7
44
79.04
mp-1217538
7.559889
7.884177
-3.70011
other
Te2W2N2O15
21
44
280.87
mp-1225504
-4.996191
-0.902404
-4.92639
other
Fe3Ag1Sn2S8
14
44
268.23
mp-1220550
-6.059148
-1.5354
3.448254
other
Nb12V6Ni6C4
28
44
388.47
mp-1233367
13.229731
8.179219
-0.451674
other
Mg1Sc4Si4O14
23
44
246.99
mp-1219138
-4.813787
0.367232
-3.912522
other
Re2Ni1Mo2S8
13
44
224.93
mp-1225176
-7.95601
0.427682
4.408428
other
Dy1V2Fe5Co5
13
44
163.37
mp-1216010
-7.647791
-0.389419
4.528816
other
Zr1Ga6Fe5Co1
13
44
182.35
mp-1216887
-4.837678
0.277902
-4.756476
other
V12Ga2Ge1S24
39
44
686.74
mp-2228625
11.860017
11.107246
1.395306
other
Mg1Ti2Zn4O8
15
44
231.34
mp-1651415
13.65551
7.32726
-7.327315
other
Li8Mn4P8O28
48
44
638.96
mp-1247392
-5.260693
-0.053807
-5.249587
other
Mg2Fe2W2S8
14
44
266.63
mp-2227722
10.530518
10.780894
-2.74858
other
Cs2Mg1Re2O8
13
44
307.06
mp-753294
14.02789
12.607177
-0.666554
other
Li4V8O12F4
28
44
314.88
mp-1229064
-3.500422
-1.71608
-5.425833
other
Ag1Sb1Pb1S3
6
44
140.87
mp-2232551
-4.937614
-0.979351
-5.559078
other
Mg1Mn4Zn2S8
15
44
293.56
mp-1226865
-5.28365
-3.865949
5.348267
other
Ce2Si2Ni1Pt1
6
44
119.11
mp-1235544
11.604083
8.729343
2.130418
other
Sr1Li1U2O6
10
44
127.57
mp-1272479
6.673008
14.06089
-1.435973
other
Li4Co2Ni2O8
16
44
141.96
mp-1226500
-5.058199
-0.793229
-5.042554
other
Co3Cu1Sn2S8
14
44
252.45
mp-756080
8.822633
14.1247
-0.952385
other
Li1Mn2Fe3O8
14
44
154.12
mp-1222998
9.698628
10.692776
-2.790222
other
Li2Nb2W2O13
19
44
293.9
mp-1229130
-4.074371
-1.877654
-5.22421
other
Ag2Bi2Se1S3
8
44
188.96
mp-1216155
-7.900331
0.50391
4.305351
other
Y1Fe6Co5W1
13
44
167.56
mp-1220096
-7.523585
0.914295
4.866328
other
Nd1Ti1Fe11C1
14
44
180.86
mp-1228585
10.711234
11.534105
3.373396
other
Ba4Ta10Co1O30
45
44
622.8
mp-2223629
12.560349
11.250043
1.322636
other
Mg1Mn1Nb1O4
7
44
86.07
mp-2215879
8.41732
11.595286
-0.787724
other
Mg1Cu2Rh4O8
15
44
178.25
mp-1226386
-5.603489
-1.570492
-4.248991
other
Cr4Hg2Se6S2
14
44
313.18
mp-1226840
-4.179163
-1.440892
-5.700666
other
Cd2In4Se2S6
14
44
349.51
mp-2233160
-5.291456
-0.738366
-4.801097
other
Mg1Zn2Co4S8
15
44
253.16
mp-557414
2.948791
2.367396
1.712682
other
Ba1Si6N8O1
16
44
195.06
mp-1219056
9.834259
9.566156
-0.122174
other
Sn2Sb2Pb4O13
21
44
308.83
mp-19864
11.372587
11.087175
0.140841
other
Ca2Fe1W1O6
10
44
127.95
mp-1226382
-5.47876
-0.403605
-5.705028
other
Cr4Cd2Se2S6
14
44
286.68
mp-1246619
-4.955439
-0.085682
-5.609109
other
Mg2Al2W2S8
14
44
268.87
mp-2239860
10.654837
10.079444
1.612425
other
Ba1Mg1Mn1O3
6
44
86.3
mp-1235023
9.531562
12.920279
-0.757559
other
Li1Zn2Fe4O8
15
44
157.82
mp-1224012
-7.771839
0.635628
4.715705
other
Ho1Ti1Fe8Co3
13
44
167.89
mp-1247089
-5.226596
-0.080679
-5.504309
other
Mg2Mn2W2S8
14
44
274.55
mp-1236099
12.945062
8.359689
0.182597
other
Li1Al4Zn2O8
15
44
155.98
mp-1235752
12.838089
12.213761
-0.462944
other
Li1Mn2V4O8
15
44
178.42
mp-1246399
-5.227039
0.051521
-5.319549
other
Mg1V2Cr2S8
13
44
245.7
mp-1220849
7.601352
9.478738
-0.907595
other
Na1La1Ta2O9
13
44
196.33
mp-2232143
11.703996
12.022877
0.23738
other
Mg1Ti2Co4O8
15
44
186.52
mp-2240871
7.613132
12.322322
-1.433355
other
Mg1Co4Ni2O8
15
44
176.76
mp-2219394
10.026169
12.424853
-3.601778
other
Mg1V2Cu2O8
13
44
151.87
mp-561446
11.338172
7.594542
0.645034
other
Ba1Ca1Ga4O8
14
44
202.95
mp-1219060
-8.059849
0.374012
4.525011
other
Sm1Ti1Fe5Co6
13
44
169.61
mp-2225002
7.723664
12.441257
-1.258217
other
Mg1Co2Ni4O8
15
44
159.93
mp-1235363
12.963109
8.355231
0.21362
other
Li1Al4Zn2O8
15
44
149.35
mp-1225829
12.189774
8.03261
1.21749
other
Cs2Ti2Al2O8
14
44
270.54
mp-1218211
5.928933
11.572981
0.440355
other
Sr1Nd1Co2O6
10
44
113.94
mp-2232164
9.299908
13.960233
-0.763869
other
Mg1Mn4Ni2O8
15
44
171.31
mp-1227260
6.568403
5.164218
-4.500247
other
Ca1Bi1N1O5
8
44
124.43
mp-1218552
7.869095
9.503197
0.780293
other
Sr4Tl2C1O9
16
44
248.85
mp-1226413
-5.689343
-0.648721
-5.217748
other
Cr4Fe2Se2S6
14
44
260.83
mp-2228755
9.171871
14.639743
-0.600765
other
Mg1Mn4Cu2O8
15
44
169.18
mp-1220787
10.181705
9.715781
3.946059
other
Na1La1Zr2O6
10
44
139.34
mp-1225807
-8.033767
0.39567
4.492911
other
Dy1Ti1Fe5Co6
13
44
166.53
mp-2219883
9.676123
12.175154
-0.957934
other
Mg1Co2Sb2O8
13
44
166.21
mp-1234530
12.258593
10.607093
0.595027
other
Sm4Mg1Mo4O14
23
44
310.27
mp-1226126
-4.808214
0.355982
-3.87167
other
Co1Re2Mo2S8
13
44
226.39
mp-1285272
10.349362
2.489953
0.502239
other
Li1V2O1F7
11
44
139.72
mp-1223838
-7.547389
0.980029
4.825115
other
Ho1Ti1Fe11N1
14
44
175.51
mp-1228917
-5.298177
-5.74658
0.403446
other
Al1In1Ga1Sb3
6
44
192.79