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-2710672
10.204367
2.677735
1.731411
other
Li2V2F8
12
12
131.89
mp-1235641
7.030571
7.047879
-3.209051
other
Li1Nd2O6
9
12
136.87
mp-1224696
-6.30258
-3.490983
0.744183
other
In1Co16Sb48
65
12
1,541.62
mp-1197368
-8.829057
-0.147569
2.564786
other
Tb3Ni19B10
32
12
332.18
mp-1213779
7.619018
9.86438
-3.875886
other
Cr3N1O8
12
12
197.73
mp-31628
11.577071
11.68619
-0.834929
other
Cr4Re4O16
24
12
258.21
mp-1247118
0.613683
2.502518
1.93507
other
Mg4Os4N4
12
12
179.38
mp-1387694
5.786479
12.188851
-1.21677
other
Ca2Ni3O8
13
12
148.25
mp-756754
6.356942
13.223804
-2.486281
other
Ti2Co10O24
36
12
413.95
mp-541149
-4.179587
-1.802378
-5.264766
other
Cu4Bi7S12
23
12
541.53
mp-1212929
7.557014
6.183689
-3.681314
other
Ga1B6O6
13
12
389.43
mp-1192621
-4.14814
-3.63203
-2.660597
other
U8Ti1Se17
26
12
669
mp-9782
-4.599858
-2.791622
-4.068198
other
K2Ag6Se4
12
12
290.94
mp-756050
11.293571
12.019504
2.629876
other
Ta4Cu4O12
20
12
281.32
mp-1403705
8.192369
14.395274
-1.198765
other
Mn3Zn2O8
13
12
132.46
mp-674477
10.714111
9.944062
3.819551
other
Mg2Zr8O18
28
12
342.24
mp-756040
9.49173
8.561212
2.452024
other
Gd4Hg2O8
14
12
217.45
mp-1323899
12.409594
10.545484
0.41735
other
Y4W4O14
22
12
287.93
mp-1174337
7.082132
19.610996
-0.154827
other
Li8Mn6O14
28
12
260.02
mp-624355
-5.12078
-4.192513
5.690254
other
Ce28Si22Ni12
62
12
1,344.08
mp-2227581
12.955843
11.035032
-0.599515
other
Mg1Mo4O8
13
12
160.09
mp-674017
-4.589004
-1.000191
-3.022755
other
Nb17Ir3Se40
60
12
1,436.16
mp-1078740
-7.664702
-3.146451
5.35117
other
Ho3Co2Ge4
9
12
164.03
mp-676180
-2.836509
0.310229
2.608829
other
U4Be2C5
11
12
141.9
mp-1103074
-3.217533
-1.043928
-5.059642
other
Na4S6N2
12
12
280.47
mp-1191296
6.955718
7.885212
-3.17158
other
Zn5N2O16
23
12
313.78
mp-1394331
12.754707
9.894297
1.638048
other
Mg4Ti4O8
16
12
201.6
mp-1173952
6.90284
19.664177
-0.257796
other
Li6Mn4O10
20
12
180.81
mp-754602
5.189424
11.608207
-2.347526
other
Fe6O10F2
18
12
195.3
mp-1403324
8.749108
14.830557
-0.868953
other
Mn4Zn2O8
14
12
166.33
mp-1203583
-2.645154
-2.845183
-5.493526
other
Pr4Tm11S22
37
12
864.23
mp-1208785
6.930643
8.319348
-2.238447
other
Sr3Co2O9
14
12
183.77
mp-1214939
6.011303
10.24145
-1.967025
other
Al4Fe6O18
28
12
389.11
mp-675778
8.45033
1.139193
1.808632
other
Na1Y2F7
10
12
147.09
mp-1192708
-3.065724
-2.495024
-4.158067
other
U8Co1S17
26
12
570.76
mp-1025359
-5.590675
-1.59522
-3.007344
other
Fe1Ni2Se4
7
12
117.2
mp-1247040
1.467213
1.898907
1.390476
other
Sr8Mn3N8
19
12
363.29
mp-1104174
7.574818
10.937441
-0.54218
other
K4Ni3O6
13
12
211.24
mp-675452
0.533999
1.390171
2.808517
other
Ti20H2N17
39
12
379.15
mp-1079577
6.837102
7.105464
-3.687824
other
Ni1Cl2O6
9
12
157.11
mp-1573005
13.113458
11.59688
-0.042786
other
Ca2V8O12
22
12
243.06
mp-634979
8.641709
1.948753
2.474606
other
Tb2O2F2
6
12
81.12
mp-1182535
9.463911
1.343636
1.264645
other
K20Cr40F124
184
12
2,719.72
mp-1175354
7.025682
19.595825
-0.198327
other
Li14Mn10O24
48
12
444.2
mp-1214265
9.324773
8.338126
-0.436841
other
Bi12Br5O16
33
12
641.39
mp-1223596
-4.782217
-1.545635
0.739254
other
La1Co20P60
81
12
1,163.97
mp-1105166
11.433377
10.060622
1.974547
other
Er5Mo2O12
19
12
254.27
mp-1207982
-5.049598
-4.080391
6.125538
other
Tm6Si6Ni2
14
12
261.93
mp-1272379
10.684627
4.662132
-4.191415
other
Co4H8O8
20
12
176.68
mp-1025318
-5.568409
-1.589957
-3.091053
other
Co1Ni2Se4
7
12
115.82
mp-568498
4.845427
1.964107
-2.544874
other
Sm2C3N6
11
12
149.66
mp-1174039
3.883235
19.592562
-1.828048
other
Li5Co3O8
16
12
140.99
mp-996970
9.457439
8.657244
-0.463229
other
Ag2Bi2O4
8
12
152.8
mp-1101899
8.642497
3.683527
-7.258426
other
Na4C2O6
12
12
151.68
mp-7237
7.165001
10.221325
-1.096865
other
Cu1Ag1O2
4
12
51.53
mp-1180962
11.615207
7.377502
-2.412521
other
Mn16Si12O50
78
12
1,100.01
mp-1209744
8.276723
1.368114
-0.407297
other
Rb3Sb1F12
16
12
298.92
mp-7823
-5.450698
-1.29514
-3.255402
other
V2Ni1Se4
7
12
121.63
mp-1203808
12.343189
6.80665
-0.85764
other
Mg17Si20O60
97
12
1,166.5
mp-757612
6.656342
9.059737
-1.364198
other
Ag14Pb6O18
38
12
616.43
mp-757872
9.075526
0.709343
0.069206
other
Li2Ag3F6
11
12
143.09
mp-1178610
6.745906
6.041489
-4.003218
other
Zr2N2O12
16
12
296.53
mp-1181400
7.356703
6.625554
-4.424045
other
Fe3P2O16
21
12
276.77
mp-1217530
-9.034287
-6.112555
3.511569
other
Tb2Ga2Au2
6
12
124.14
mp-1177943
11.286551
12.049135
0.274442
other
Li8Fe4O8
20
12
186.13
mp-1078133
-3.166774
0.324539
2.648434
other
U2Re2C3
7
12
94.92
mp-1217723
-7.666766
1.099414
4.848636
other
Tb2Fe17N2
21
12
266.42
mp-25960
10.575077
7.441887
-6.393035
other
Bi2P8O24
34
12
549.8
mp-1299486
8.717149
12.710746
-1.286442
other
Co10Sb2O16
28
12
292.96
mp-1206296
-5.212975
-4.039176
6.034809
other
Y4Co2Si4
10
12
189.57
mp-1216975
-6.399596
-2.494878
-1.554343
other
Ti1Cr3Te4
8
12
181.95
mp-867215
-2.637061
0.457325
2.410241
other
Sc6Os2C8
16
12
185.73
mp-1225355
-6.453104
-7.098973
3.231616
other
Eu2Zn2Pb2
6
12
164.09
mp-1025195
-4.934631
-1.164328
-2.807501
other
Nb2V1Se4
7
12
140.66
mp-2646914
11.054457
11.905926
2.569204
other
Nb16Cu4O42
62
12
711.47
mp-1045889
12.097498
11.629865
0.456602
other
Mg2Cr9O13
24
12
256.7
mp-19142
11.252614
12.921294
-3.343445
other
Mn2V2O7
11
12
136.28
mp-771131
11.911994
9.360735
2.373055
other
Nd2Zr2O6
10
12
143
mp-561419
-5.230703
-0.024101
-4.262361
other
V2Fe1S4
7
12
102.2
mp-554921
-4.003124
-1.655884
-5.273756
other
Hg2Bi4S8
14
12
366.41
mp-685370
10.106375
10.765109
3.311505
other
Y16Ti16O56
88
12
1,071.06
mp-754394
11.563659
-0.208839
1.41866
other
Mn6O2F10
18
12
230.18
mp-1238878
-5.385816
-0.088615
-5.622571
other
Rb1Cr2S4
7
12
152.84
mp-1229216
10.674606
11.530745
3.209495
other
Ce4Nb12O36
52
12
762.43
mp-1224746
-4.529091
-3.056307
-3.939218
other
Fe1Si2Se4
7
12
173.1
mp-567248
-7.251782
-5.856531
3.428358
other
Yb4Mn2Sn5
11
12
283.61
mp-771190
8.305818
14.131367
-1.666001
other
Mn15Cr1O32
48
12
555.94
mp-1202451
-7.293688
-5.321431
3.209344
other
Tb7Co6Sn23
36
12
974.22
mp-676286
10.674161
10.115596
3.832195
other
Zr8Cd2O18
28
12
359.83
mp-754200
8.969644
14.410481
-1.077468
other
Mn4Cr1O8
13
12
157.12
mp-25544
8.188491
12.180454
-0.461811
other
K2Mn2O4
8
12
139.14
mp-1408143
6.202305
13.545198
-2.038583
other
Mg2Co3O8
13
12
125.25
mp-1206589
-5.106718
-3.331463
6.076542
other
Dy4Fe2Si4
10
12
189.24
mp-756063
10.885758
11.417706
3.044997
other
Rb4Nb4O12
20
12
351.07
mp-752921
8.369342
14.671721
-1.345347
other
Li1Mn4O8
13
12
146.58
mp-28800
-4.699152
-3.03541
-3.512792
other
K2Bi8Se13
23
12
705.02
mp-2210687
-3.358182
-0.713387
-4.64808
other
Mg1V1S2
4
12
121.91
mp-1104955
-4.540207
-1.21297
-2.700619
other
Sr1Nb5Se8
14
12
297.7
mp-760128
8.9169
14.731929
-1.05989
other
Mn11Cu7O24
42
12
458.08
mp-755314
1.656811
1.789675
2.920819
other
Hf6N6O3
15
12
179.44