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-1041911
6.143734
12.461026
-1.533197
other
Mg2Ni4O8
14
74
142.25
mp-1020717
12.415692
6.813322
-0.943096
other
Zn8Si4O16
28
74
288.52
mp-34022
10.703167
9.306203
0.496588
other
Mg4Sn2O8
14
74
161.81
mp-1215220
-5.925448
-1.557328
3.793757
other
Zr2Mo2W2
6
74
110.51
mp-1041927
6.846354
13.216224
-1.442019
other
Ca2Co4O8
14
74
167.46
mp-28235
8.127262
10.003801
-0.460964
other
Tl2Cu4O4
10
74
150.09
mp-30155
-8.41676
-5.007239
3.426782
other
Ce6Si2Pd10
18
74
362.9
mp-1045422
-5.508101
-0.650499
-4.327024
other
Mg2Co4S8
14
74
230.25
mp-1045352
-5.042253
-0.940823
-4.8829
other
Ca2Fe4S8
14
74
267.52
mp-19173
11.605512
9.637905
0.9115
other
U2Mn2O8
12
74
152.35
mp-1042020
6.570136
12.288346
-1.172935
other
Ca2Ni4O8
14
74
163.92
mp-1041914
8.89682
14.760875
-0.433398
other
Mg2Mn4O8
14
74
156.69
mp-38212
8.639184
9.936868
-0.328977
other
Ta4Tl2O12
18
74
303.48
mp-755052
12.706461
12.658648
-1.107292
other
Li2V4O8
14
74
148.7
mp-676338
10.399132
9.068295
0.402674
other
Mg2In4O8
14
74
182.59
mp-763433
10.218613
1.037931
1.690814
other
Li8Mn4F16
28
74
322.35
mp-1041946
8.341778
13.055238
-0.700615
other
Ca2Fe4O8
14
74
173.94
mp-673808
12.793981
7.156251
-0.697435
other
Mg4Si2O8
14
74
139.18
mp-752531
5.879423
12.945157
-1.534756
other
Li2Ni4O8
14
74
133.12
mp-18941
12.444754
7.533243
-2.068776
other
Co8Si4O16
28
74
283.38
mp-37276
-5.512344
-0.758783
-4.06592
other
Fe2Ni4S8
14
74
205.88
mp-1201619
-3.450244
1.847731
2.807042
other
Tb2Al2B28
32
74
256.31
mp-752807
6.492899
13.958548
-2.043601
other
Li2Co4O8
14
74
129.51
mp-31237
8.465728
2.037048
-0.896664
other
Cu2As2F14
18
74
245.01
mp-34501
8.751757
13.42103
-1.309076
other
Fe4Co2O8
14
74
149.96
mp-1225569
-7.99099
-0.116728
5.636773
other
Er2Fe2Cu2
6
74
95.82
mp-1102541
-6.869011
-2.447878
5.060011
other
Y2Si4Rh6
12
74
188.78
mp-8958
8.406808
1.266842
0.090104
other
Rb2Pd4F10
16
74
257.69
mp-1392117
-5.435957
-0.087729
-5.683002
other
Li2Cr4S8
14
74
251.02
mp-29955
-1.000676
1.905595
-3.944223
other
Hg12Se8I8
28
74
963.95
mp-755200
6.256598
13.43647
-1.352552
other
Li4Ni4O8
16
74
137.19
mp-1188385
9.052869
1.834537
-0.864764
other
Fe4O4F10
18
74
266.96
mp-1215169
-6.120024
-1.537113
3.917407
other
Zr2V2W2
6
74
104.89
mp-1225619
-8.076492
-0.118127
5.704972
other
Dy2Fe2Cu2
6
74
97.75
mp-34586
8.564274
12.685552
-1.32415
other
Co4Ru2O8
14
74
146.78
mp-1045536
9.955957
13.938404
-0.942764
other
Li2Cr4O8
14
74
148.28
mp-34296
8.216897
13.271806
-1.123797
other
Zn2Fe4O8
14
74
154.91
mp-752961
12.417141
10.872433
-1.295063
other
W2O4F2
8
74
115.72
mp-612861
-5.259927
-1.388328
4.253232
other
La2Re4Si4
10
74
185.69
mp-1272781
11.055715
13.361877
-0.533249
other
Cr4Cu2O8
14
74
149.96
mp-1224321
-6.449564
-3.543736
4.73423
other
Hf2Al2Zn2
6
74
98.87
mp-1226680
-7.940497
-0.398638
5.588255
other
Ce2Fe2Cu2
6
74
96.99
mp-770931
9.378865
10.742675
-2.079287
other
Cu2Te2O8
12
74
166.44
mp-573373
2.243798
2.665937
-4.388701
other
P4I4Cl32
40
74
1,261.82
mp-755742
10.637026
9.403146
1.164013
other
Ho4Sb4O14
22
74
303.32
mp-1045467
-4.973544
-0.944392
-5.284036
other
Ca2Mn4S8
14
74
295.73
mp-1041485
6.868821
9.60399
-1.522289
other
Mg2Ag4O8
14
74
174.77
mp-674355
-5.550994
-0.764035
-3.974847
other
Co2Ni4S8
14
74
203.68
mp-22230
5.991624
8.592539
-0.992745
other
Ba2Pb2O6
10
74
159.26
mp-1045347
12.65983
10.114729
1.849516
other
Y2Ti4O8
14
74
176.59
mp-1215958
-7.890121
-0.095569
5.601741
other
Y2Fe2Co2
6
74
96.66
mp-22781
13.300328
8.604006
-1.123867
other
Mn8Ge4O16
28
74
334.19
mp-1045465
-3.681814
-0.591356
-4.709895
other
Y2Ti4S8
14
74
274.59
mp-1217331
-8.160943
-2.326084
4.578558
other
Th2Ir2Os2
6
74
115.34
mp-38951
11.851478
7.972592
-0.061356
original
Mg2Ga4O8
14
74
141.9
mp-28870
11.820775
8.014164
-6.403143
other
P6Rh6O24
36
74
438.78
mp-1045482
7.701138
12.480807
-0.714863
other
Y2Co4O8
14
74
173.49
mp-1045438
-5.095362
-0.733879
-4.747451
other
Al2Fe4S8
14
74
233.44
mp-850978
10.068534
12.146415
-3.909858
original
V2Fe2O8
12
74
143.25
mp-20254
9.567697
9.67033
-1.833586
other
Na4Te4O14
22
74
271.91
mp-850277
-1.19755
1.987605
-1.855464
other
Sr2Ca2I8
12
74
560.93
mp-1045514
10.738843
13.114461
-1.108438
other
Li2Cr4O8
14
74
142.59
mp-1215318
-7.14214
-3.720222
4.512697
other
Zr2Al2Cu2
6
74
97.38
mp-1045423
-5.457633
-0.677968
-4.418101
other
Al2Co4S8
14
74
220.63
mp-1247746
-4.867965
-0.214758
-5.182965
other
Hf2Cr2S8
12
74
249.39
mp-1977728
10.525416
11.818371
3.281342
other
Na2Nb2O6
10
74
126.03
mp-758871
5.288605
12.022023
-2.428618
other
Fe4O6F2
12
74
133.12
mp-1220186
-7.858629
-1.110049
5.145838
other
Nd2Fe2Ru2
6
74
109.15
mp-772030
12.758698
11.37223
1.38057
other
Li4Ti4O8
16
74
139.37
mp-755331
12.095081
-0.639991
1.125891
other
Mn4O2F6
12
74
150.22
mp-1209310
-6.082585
-2.849839
5.578872
other
Pr2Si4Ir6
12
74
198.38
mp-1222314
-8.070627
-0.193264
5.639882
other
Lu2Fe2Cu2
6
74
95.54
mp-1076737
12.20785
10.466531
2.23925
other
Rb4Ta4O10
18
74
278.08
mp-1223889
-8.113727
-0.071687
5.695279
other
Ho2Fe2Cu2
6
74
96.93
mp-3316
9.210181
8.702044
3.188448
other
Ba2Ce2O6
10
74
172.27
mp-1041494
7.00851
11.157218
-1.139648
other
Mg2Cu4O8
14
74
145.96
mp-1198758
-3.474593
1.863237
2.804942
other
Er2Al2B28
32
74
254.34
mp-16281
9.630399
9.911124
-0.679911
other
Cd4Sb4O14
22
74
274.47
mp-1041909
11.391813
12.567018
-0.396417
other
Zn2Cr4O8
14
74
155.33
mp-1216701
-7.224407
-1.472001
4.454754
other
U2Cr2Ni2
6
74
89.31
mp-699284
6.532147
1.277358
-3.665807
other
Li16H8N8
32
74
255.36
mp-1225462
-7.53918
-0.414795
5.692546
other
Er2Mn2Fe2
6
74
94.15
mp-1225461
-7.243089
-1.686896
6.023723
other
Er2Mn2Al2
6
74
113.17
mp-36884
10.949725
12.511312
-0.018469
other
Mn4Sn2O8
14
74
176.27
mp-17193
-5.284626
-5.916357
3.12418
other
Ca6Ge2O2
10
74
209.99
mp-1078716
12.397559
10.462732
0.346622
other
Sr2Mo2O6
10
74
126.33
mp-1045547
11.298568
12.914935
0.072196
other
Ca2Cr4O8
14
74
169.21
mp-1205330
-5.334329
-6.003317
3.487126
other
Ca6Si2O2
10
74
208.68
mp-1215282
-6.904631
-1.847856
4.431965
other
Zr2Cr2Cu2
6
74
89.9
mp-1045499
12.543423
10.735403
0.515085
other
Y2V4O8
14
74
183.43
mp-756527
7.969991
13.881033
-0.917552
other
Li4Fe4O8
16
74
147.81
mp-1045357
12.430438
11.997041
1.770999
other
Li2Ti4O8
14
74
148.45
mp-1221921
-9.119037
-3.115972
4.089855
other
Mg2Zn2Co2
6
74
86.09
mp-853240
6.755861
15.00746
-1.571181
other
Li4Co4O8
16
74
138.59
mp-752404
9.25419
9.378759
0.508439
other
Ba4Sb4O14
22
74
338.78
mp-753184
7.569254
13.297373
-1.573744
other
Al2Co4O8
14
74
140.5
mp-1077413
12.006062
8.692174
0.746608
other
Na2P2O2
6
74
86.56
mp-35039
-0.420754
1.340044
-4.488251
other
Li4Fe2Br8
14
74
341.09
mp-1181552
9.279786
0.504942
-0.136012
other
Cs2Ni4F12
18
74
274.04
mp-1041967
6.755104
13.366467
-1.696705
other
Zn2Co4O8
14
74
149.56