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-1217122
-4.085655
-0.005819
2.867973
other
Ti3W1C3N1
8
160
81.59
mp-1215226
-8.217053
-1.26736
3.661009
other
Zr1Sc1Mn1Ni3
6
160
85.3
mp-1224229
-3.660948
-1.576345
-5.610654
other
K10Zn4Sn4S17
35
160
1,028.2
mp-1215474
1.983119
2.074419
2.17885
other
Zr2H1N2Cl2
7
160
115.75
mp-2227220
11.979287
10.315689
2.14129
other
Rb1Mg1Nb1O3
6
160
131.68
mp-1222750
-5.79197
-3.489344
-2.171202
other
Li2Ge1Sb2Te5
10
160
292.44
mp-1246242
-5.084002
0.438707
-5.540337
other
Mg2In1W3S8
14
160
279.41
mp-775027
8.143227
14.704523
-1.126221
other
Li2Mn3Co1O8
14
160
143
mp-1216717
0.273494
2.112238
2.456098
other
Ti1V1C1N1
4
160
37.53
mp-1215369
-7.319216
-3.810822
3.25408
other
Zr4Sc1Ni5Sn5
15
160
296.66
mp-1225929
9.024458
0.60369
1.095898
other
Cs1Ba2Co2F9
14
160
223.96
mp-1229020
-4.517815
-1.204487
-6.045063
other
Al8Zn3Cd1S16
28
160
524.41
mp-2223058
10.490961
10.254724
0.679202
other
Mg1Mn1Pb1O3
6
160
87.71
mp-2217404
-3.63942
-1.529686
-5.370027
other
K3Mg1Sb1S4
9
160
282.82
mp-775196
9.484316
14.127285
-1.173319
other
Li2Mn1Cr3O8
14
160
148.05
mp-1221816
-6.627582
-2.984133
0.623651
other
Mn2Ni1Sb2Pt1
6
160
110.65
mp-758931
10.000513
1.234522
-0.232408
other
Li2Ni10O6F10
28
160
316.88
mp-2232994
8.875249
14.549721
-1.0229
other
Mg1Mn3Cu3O8
15
160
225.08
mp-734315
7.638086
9.049842
-3.826505
other
Cr4P1N3O16
24
160
450.76
mp-1223748
10.388569
9.226403
-0.086502
other
In1Ga1Cu1O4
7
160
84.45
mp-2227408
11.92052
10.209157
1.046811
other
Sr1Mg1V1O3
6
160
86.53
mp-1217150
-5.982133
-2.229604
4.140741
other
Ti4Ga1Co2Si1
8
160
112.37
mp-1235177
11.854553
7.928886
-1.179778
other
Li1In4Ge4O14
23
160
253.09
mp-1218024
-3.838404
-0.261539
2.991979
other
Ta2Ti2Nb1C5
10
160
108.84
mp-2210678
11.915549
10.975211
0.474532
other
Na1Mg1Fe1O2
5
160
72.46
mp-1218953
-5.649734
-3.474706
-2.01823
other
Sn1Ge4Te4Se1
10
160
280.31
mp-2219118
6.844846
13.367283
-1.828879
other
Mg1Ti1Co3O8
13
160
155.52
mp-1226742
-5.200149
-3.481373
-3.002845
other
Cd1In1As1Se1
4
160
119.32
mp-1215239
-7.603974
-4.023615
3.296361
other
Zr1Sc1Ni2Sn2
6
160
117.51
mp-1224267
-3.154075
0.006313
2.762813
other
Hf1U1Ta2C4
8
160
98.58
mp-1228650
9.736115
10.562261
3.397099
other
Ba2La4Ti5O18
29
160
371.05
mp-772994
12.257151
12.206545
1.658042
other
Li6Ti15Co3O32
56
160
607.54
mp-757105
12.757984
13.167203
-0.925539
other
Li3Mg1V8O16
28
160
291.41
mp-2239942
10.694204
10.094571
1.576762
other
Pr1Mg1Co1O3
6
160
89.16
mp-1174601
3.992698
22.197071
-1.243875
other
Li5Mn2Co1O8
16
160
151.52
mp-1220092
-5.334429
-2.356432
-2.898884
other
Ni3Pb2Se1S1
7
160
132.22
mp-1226282
-5.549506
-0.289495
-5.879694
other
Cr4In1Cu1S8
14
160
261.28
mp-778229
11.86025
11.487178
-1.496947
other
Li9Cr3W7O28
47
160
614.07
mp-672285
4.692002
2.739002
-3.656926
other
Cu1C1S1N1
4
160
70.48
mp-780876
9.475858
12.485322
0.130874
other
Li24Fe4O12F12
52
160
594.26
mp-1221918
-5.082007
-2.464883
-3.943956
other
Mn2Cr1Ga3Se8
14
160
349.6
mp-1187773
10.128006
2.483962
-2.807416
other
V4H24O12F12
52
160
517.44
mp-1219607
9.327046
1.562855
1.700551
other
Rb1Ba2Fe2F9
14
160
219.36
mp-1217160
-6.789579
-3.621312
3.131244
other
Ti2Co1Ni1Sn2
6
160
115.4
mp-1218307
-8.142799
-0.392519
2.460841
other
Ta3V3Ni40B12
58
160
581.86
mp-1219264
-7.716167
-3.947227
3.183172
other
Sc1Ti1Ni2Sn2
6
160
110.44
mp-1227801
10.908214
12.003241
-3.114988
other
Ca2V2Pb1O8
13
160
183.68
mp-1218270
-3.493379
-2.440943
-5.0903
other
Sr1Eu1Se1S1
4
160
114.85
mp-2232643
7.346923
11.872494
1.910244
other
Ba3Mg1Mn3O9
16
160
228.47
mp-756179
9.388571
13.870232
-0.958292
other
Li2Cr3Fe1O8
14
160
145.21
mp-755521
11.226143
12.861188
1.245415
other
Li2Ti3Fe1O8
14
160
152.61
mp-1228699
-4.485652
-1.184226
-6.030594
other
Al4In1Cu1S8
14
160
264.32
mp-1301722
9.521558
11.699257
-0.436066
other
Ca3Fe2W2O12
19
160
242.17
mp-1177654
12.608092
11.658526
1.750688
other
Li3Mg1Ti8O16
28
160
306.65
mp-1235717
12.762267
8.055223
-0.257092
other
Li1Sc4Si4O14
23
160
212.72
mp-756185
5.741142
12.226027
-1.816879
other
Li2Fe3Ni1O8
14
160
145.43
mp-1215763
3.719929
2.840052
0.721359
other
Zn3P6N12Cl1
22
160
285.15
mp-1217824
0.463357
2.141137
2.376294
other
Ta1V1C1N1
4
160
40.61
mp-1246413
-5.02104
0.171733
-5.088125
other
Mg1V3Cr1S8
13
160
244.23
mp-765357
13.880051
12.183996
-0.44147
other
Li6V4O6F6
22
160
244.64
mp-1235342
9.068332
11.817472
-0.120033
other
Li1Fe1Pb1O3
6
160
74
mp-1221978
8.160137
13.368983
-1.014019
other
Mg1Zn1Fe4O8
14
160
153.96
mp-1224304
-3.813981
-0.191576
2.972929
other
Hf1Ta2V1C4
8
160
88.04
mp-2217131
-3.430326
-1.345292
-5.548325
other
Mg1Nb1Tl3S4
9
160
281.27
mp-1222357
-5.771557
-3.439759
-2.074802
other
Li1Ge3Sb1Te5
10
160
280.84
mp-2218104
11.167488
1.160138
2.082666
other
Mg1Fe3O1F7
12
160
162.6
mp-2240078
9.058399
8.547122
-0.067496
other
Cs1Mg1Bi1O3
6
160
137.27
mp-1215740
10.65234
8.909899
-0.018874
other
Zn3In1Ga1O6
11
160
135.41
mp-1247078
-5.142898
0.471631
-5.487435
other
Mg2Ga1W3S8
14
160
270.65
mp-1235263
9.4189
12.336578
-1.224814
other
Li1Co5Sb1O8
15
160
174.15
mp-1215824
-5.593806
-1.852883
-3.960672
other
Zn1Cr8Cu3Se16
28
160
568.71
mp-1221983
-6.411026
-3.339659
0.832685
other
Mg1Mn1Ni2Sb2
6
160
117.18
mp-2232442
10.157835
12.729783
-0.537046
other
Mg1Zn2Fe4O8
15
160
165.01
mp-2239917
12.187797
10.185139
0.664093
other
Sr1Mg1Mo1O3
6
160
88.42
mp-1217365
11.553642
8.89932
2.575115
other
Th1Zr2U2O10
15
160
192.02
mp-1221833
-6.752155
-3.184751
0.811914
other
Mn2Ni1Sb2Pt1
6
160
115.3
mp-2225889
10.043215
10.856804
0.297721
other
Na1Mg1Ni1O2
5
160
66.64
mp-1216488
-5.299199
-1.515993
-3.534446
other
V3Cr1Ga1Se8
13
160
281.05
mp-1228995
11.743586
7.885911
-0.563478
other
Al1In1Cu1O4
7
160
80.66
mp-1215658
8.746006
13.278518
-1.143405
other
Zn1Fe4Co1O8
14
160
156.85
mp-1215439
-4.038757
-3.332003
-1.314413
other
Zn1Ga1P1Se1
4
160
88.71
mp-1221984
9.264009
13.510312
-0.882213
other
Mn3Fe8Cu1O16
28
160
323.85
mp-1247258
-5.243245
0.731534
-5.36758
other
Mg2Mo1W3S8
14
160
255.48
mp-761675
9.209576
13.899233
-1.328111
other
Li2Cr3Co1O8
14
160
144.9
mp-1221817
-4.473875
-1.137133
-5.817231
other
Mn1In1Ga1S4
7
160
162.22
mp-2227269
-5.15438
-0.681082
-4.75191
other
Mg1Fe1Ag1S2
5
160
84.54
mp-756518
5.848552
12.380581
-1.738729
other
Li2Fe3Co1O8
14
160
146
mp-2226681
10.687889
12.425054
-0.355865
other
Mg1Fe1Au1O2
5
160
67.89
mp-1221989
6.158131
4.92442
-4.545594
other
Na4Cd7N30O36
77
160
1,362.37
mp-1225987
8.958326
0.584743
0.882897
other
Cs1Ba2Ni2F9
14
160
219.45
mp-753280
10.688582
1.176735
1.815125
other
Li2Mn4O2F6
14
160
178.33
mp-1218499
10.199363
10.67588
3.493385
other
Sr3La1Ta3O12
19
160
256.84
mp-761165
10.496316
1.134477
1.747364
other
Li6Mn6O2F14
28
160
346.93
mp-1224228
1.127782
1.551924
2.609244
other
Hf1Zr1C1N1
4
160
49.81
mp-1228180
9.985435
10.646115
3.436059
other
Ba3La1Ta3O12
19
160
272.43
mp-1215199
1.259506
1.490512
2.619874
other
Zr1U1C1N1
4
160
54.88
mp-757605
11.517168
13.562918
-1.561751
other
Li2V3Co1O8
14
160
148.36
mp-1222621
-3.355013
-4.24678
0.673497
other
Li2Zn1Cd1P2
6
160
97.93
mp-1224340
0.838162
1.557507
2.714812
other
Hf1Nb1C1N1
4
160
46.72
mp-1222057
8.66364
13.39763
-1.124758
other
Mg1Fe4Co1O8
14
160
155.7