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-1226833
-9.508338
-4.993302
4.19801
other
Ce2Zn3Cu7
12
10
189.97
mp-1217134
-4.196639
-0.346264
-4.019483
other
Ti3V1S4
8
10
116.27
mp-1100477
7.057922
19.685377
-0.116675
other
Li9Mn7O16
32
10
298.01
mp-760998
8.598332
15.155729
-1.682416
other
Mn6O10F2
18
10
186.47
mp-37498
0.570785
2.05088
-4.129329
other
Li10N2Cl4
16
10
227.92
mp-1215860
-4.230853
-4.331621
-3.757523
other
Yb1Lu2Se4
7
10
190.95
mp-1226048
-6.187023
-2.291858
-1.009246
other
Co1Ni1Te4
6
10
140.3
mp-675701
-4.171331
-4.312109
-3.784209
other
Ca1Ho2Se4
7
10
196.49
mp-755527
9.094394
12.649996
-1.394778
other
Mn4Sb4O16
24
10
331.77
mp-997021
6.715944
8.927485
-1.199689
other
Ag2Pb2O4
8
10
148.27
mp-1175385
6.91133
19.90876
-0.20927
other
Li7Mn5O12
24
10
220.39
mp-1100483
7.048966
19.67284
-0.118373
other
Li9Mn7O16
32
10
297.75
mp-1045516
5.845958
12.902072
-1.509932
other
Li1Ni2O4
7
10
68.35
mp-558119
12.646703
10.592897
0.930888
other
Lu16Mo16O44
76
10
959.31
mp-759655
9.101066
11.407906
-1.594329
other
Ni17As6O32
55
10
581.25
mp-12743
-6.08274
-2.760282
-1.989197
other
Cr1Te4Au1
6
10
171.61
mp-1224765
-6.416881
-3.204394
0.714863
other
Fe3Ni1Sb8
12
10
246.25
mp-1174242
4.073615
19.50687
-1.839087
other
Li7Co5O12
24
10
213.1
mp-1216261
-5.139474
-4.65794
6.05757
other
Y20Si12C1
33
10
795.3
mp-761563
11.70744
12.219623
-0.00235
other
Mn4Fe2O6
12
10
135.44
mp-1216892
-8.887436
-4.446084
4.593932
other
U2Al3Cu7
12
10
185.59
mp-1175363
6.990827
19.703417
-0.190521
other
Li14Mn10O24
48
10
440
mp-674328
-4.09406
-1.360446
-5.925579
other
Zn2In4S8
14
10
327.55
mp-1175449
4.473841
18.995241
-1.827675
other
Li9Co7O16
32
10
276.56
mp-1222722
-3.947003
-0.829269
-4.523566
other
Li1Zr2S4
7
10
141.83
mp-766302
12.28236
9.936233
2.205666
other
Ba5Nb5O14
24
10
358.64
mp-1238795
-5.369059
-0.145968
-5.769534
other
Na1Cr2S4
7
10
138.24
mp-757024
5.19516
11.616599
-2.34753
other
Fe6O10F2
18
10
195.39
mp-758586
6.116116
17.943937
-0.979789
other
Li13Mn8O24
45
10
412.33
mp-1175368
6.941285
19.853149
-0.194579
other
Li7Mn5O12
24
10
218.62
mp-676528
10.173003
9.30225
-2.036992
other
Sr2Te10O22
34
10
585.05
mp-1226360
-6.393705
-2.621334
-1.357384
other
Cr1Fe2Te4
7
10
165.64
mp-755744
10.458481
0.660631
-0.729155
other
Co6O2F10
18
10
208.97
mp-1175450
4.269331
19.27557
-1.851086
other
Li9Co7O16
32
10
281.96
mp-1191782
7.722806
10.062856
1.695536
other
Nd5Cu5O13
23
10
276.29
mp-1238894
-5.312599
-0.16836
-5.677577
other
K1Cr2S4
7
10
156.5
mp-1100581
7.152042
19.549858
-0.120641
other
Li9Mn7O16
32
10
298.02
mp-1175392
6.573983
14.780562
-1.595727
other
Li9Co7O16
32
10
252.15
mp-945184
-6.045198
-3.473199
-1.791775
other
Y2Cu2Te4
8
10
224.57
mp-755528
13.086114
13.165935
-1.768972
other
V6O10F2
18
10
182.74
mp-1206782
-6.50644
-4.988952
6.075926
other
La2Co2Si1
5
10
104.52
mp-763036
12.86024
-0.918334
0.485665
other
Mn8O8F8
24
10
279.91
mp-1226216
-6.220165
-3.342877
0.731406
other
Cr1Fe1Sb4
6
10
128.22
mp-1226047
-5.450249
-1.480895
-3.058464
other
Co2As2S2
6
10
90.88
mp-765680
10.185328
1.614818
-2.05703
other
Co8O8F8
24
10
253.86
mp-1217129
11.451536
12.151512
2.096439
original
Ti3Nb1O8
12
10
133.54
mp-1175463
4.183741
19.524977
-1.823076
other
Li9Co7O16
32
10
284.15
mp-764052
14.769629
12.336503
-0.852186
other
V8O8F8
24
10
279.17
mp-1100479
7.265501
19.171366
-0.088949
other
Li9Mn7O16
32
10
281.93
mp-1216445
-5.458047
0.253994
3.122463
other
V9Cr3B8
20
10
190.52
mp-530658
10.847823
11.859595
2.604172
other
Ta24Cu13O72
109
10
1,316.93
mp-755176
9.411634
11.354098
-1.819505
other
Ni4Te4O16
24
10
320.14
mp-1299640
10.682089
11.895427
0.21739
other
Y2Fe4O8
14
10
183.14
mp-755261
11.573323
-0.220761
1.417329
other
Mn6O2F10
18
10
235.95
mp-1195050
-5.180511
-1.733315
-2.85041
other
Sn2Ir4Se10
16
10
369.19
mp-1215564
-8.9031
-5.594923
2.506973
other
Zn2Cu2Au4
8
10
125.01
mp-769632
8.42788
14.075283
-1.631898
other
Mn7Cr1O16
24
10
279.5
mp-607475
-6.925799
-4.142646
4.129429
other
Zr4In5Co2
11
10
222.75
mp-1226130
-5.800236
-0.285892
-5.326387
other
Cr5Ni1S8
14
10
224.87
mp-1223334
7.32952
6.799992
-3.669376
other
K1Te1O5
7
10
122.98
mp-753437
7.877822
10.058654
1.852273
other
La5Cu5O13
23
10
284.76
mp-1226377
-6.351118
-3.238657
0.704833
other
Cr2Fe8Sb20
30
10
620.42
mp-1222118
12.250604
7.631954
0.502607
other
Mg5Al7O16
28
10
277.9
mp-1228166
-4.555043
-2.817328
-3.339052
other
Ba4Nb3Se12
19
10
527.97
mp-2220458
5.452408
11.555294
-2.239352
other
Mg1Fe8O16
25
10
333.82
mp-972120
-4.771509
-5.098357
0.272956
other
Sr4Ga8As8
20
10
488.53
mp-1227773
-8.482716
-6.31757
2.434809
other
Ca6Ge6Au16
28
10
590.65
mp-997006
8.002441
10.711295
-0.644243
other
Ag2Pt2O4
8
10
113.54
mp-755732
5.698985
12.508728
-2.565909
other
Fe1Co1O4
6
10
70.08
mp-945779
-6.043162
-3.455789
-1.791219
other
Dy2Cu2Te4
8
10
223.38
mp-1175357
6.849338
19.850613
-0.219407
other
Li14Mn10O24
48
10
442.05
mp-763436
13.220705
0.389215
0.879683
other
Fe6O6F6
18
10
210.66
mp-752945
6.952909
13.758205
-2.162684
other
Mn1Co1O4
6
10
68.01
mp-1227354
-3.876474
-0.42919
-4.668612
other
Ca1Ti2S4
7
10
140.79
mp-1174431
4.212241
19.156548
-1.876958
other
Li7Co5O12
24
10
209.04
mp-753006
12.870806
-0.896415
0.478553
other
Mn6O6F6
18
10
210.57
mp-1221638
-6.572708
-2.588983
-1.509026
other
Mn1Cr3Te4
8
10
183.69
mp-675633
-3.912283
-1.394722
-5.437291
other
Ag4Au1S2
7
10
141.45
mp-850223
11.813425
1.363337
2.686975
other
Fe6O2F10
18
10
224.05
mp-1224950
-6.402237
-3.209677
0.704479
other
Fe1Co1Sb4
6
10
121.59
mp-28807
-4.594207
-1.618328
-5.766878
other
Na14Cu24S20
58
10
993.33
mp-1228801
-5.825702
-2.247138
1.096487
other
As2P2Os2
6
10
97.21
mp-647004
12.745613
10.322736
1.801407
other
Ti4Br4O4
12
10
261.11
mp-1216931
8.751135
11.767768
-0.056668
other
Ti1Cu3O4
8
10
94.54
mp-760863
10.811209
12.477647
2.259319
other
Na4Ti7O16
27
10
338.47
mp-753512
12.638682
11.287509
-0.778082
other
Ti3W3O12
18
10
208.84
mp-1201432
9.98738
11.359648
3.180189
other
Sr30Ti46O122
198
10
3,975.6
mp-1278550
13.207846
11.718178
-0.014398
other
Li2V6O8
16
10
160.26
mp-1227387
-5.813484
-3.803344
-1.70097
other
Ca1Er2Te4
7
10
240.02
mp-768381
9.42021
11.613135
-2.007518
other
Co2Te2O8
12
10
163.86
mp-1173996
4.062225
19.152069
-1.869459
other
Li5Co3O8
16
10
138.76
mp-1226022
-3.335918
-4.224071
0.690024
other
Eu4Ga8P8
20
10
433.18
mp-1218928
-6.522623
-4.049449
0.893579
other
Sn2Sb2Pt2
6
10
142.11
mp-1221972
6.626626
8.605396
-2.608177
other
Mg1Si1O4
6
10
58.91
mp-2224714
11.276572
13.052941
-0.382847
other
Mg1Cr2O4
7
10
73.91
mp-989649
0.876523
2.503126
1.838736
other
Ca2Mo2N6
10
10
157.61
mp-1173067
10.602333
10.982678
2.238529
other
Nb6Pb9O24
39
10
635.87
mp-754974
10.294557
12.543249
-1.154496
other
Cr1Sb1O4
6
10
79.22
mp-759817
7.747143
10.962104
-0.718409
other
Cd3Pt30O40
73
10
941.18
mp-1215609
-8.027972
-2.767316
4.875058
other
Zn1Ga11Co4
16
10
243.59