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-675637
-5.712031
-3.336251
-1.973741
other
Ge5Te8As2
15
12
415.58
mp-752551
9.702943
1.030138
-0.530782
other
Ni6O2F10
18
12
205.41
mp-1102920
5.530463
4.7475
-4.14035
other
Cu1N6O4
11
12
223.01
mp-1078499
-7.696988
-3.087245
5.339
other
Er3Co2Ge4
9
12
162.23
mp-759385
11.240532
0.319795
1.519629
other
Mn12O2F22
36
12
434.23
mp-567462
-2.481171
0.405191
2.39319
other
Sc6Rh2C8
16
12
186.35
mp-1221988
9.65348
14.239676
-0.51888
other
Mn5Cr1O8
14
12
155.35
mp-1396930
12.621458
9.87312
1.729712
other
Ca4Ti4O8
16
12
246.8
mp-1232298
-2.937709
-2.349036
-5.826051
other
Pr4Mg4S12
20
12
567.93
mp-758105
10.505274
12.957734
-0.335925
other
Li5Fe11O16
32
12
305
mp-769649
10.818615
11.476586
3.071816
other
Gd2Ta6O18
26
12
313.68
mp-1078863
-7.542459
-3.633016
5.325012
other
Gd3Co2Ge4
9
12
174.07
mp-1401930
8.835704
14.760844
-0.612745
other
Mg2Mn4O8
14
12
171.34
mp-1391320
1.182872
2.051224
1.628177
other
Ca4Cr2N4
10
12
158.09
mp-1174116
4.018998
19.182102
-1.889668
other
Li5Co3O8
16
12
138.76
mp-758888
6.058769
12.445271
-1.392847
other
Li6Fe7O15
28
12
267.9
mp-1042573
6.875872
13.315409
-1.749887
other
Zn2Co4O8
14
12
159.18
mp-754161
9.168733
8.503462
0.432252
other
Rb6Ho2O6
14
12
331.45
mp-9942
-4.386849
-0.251667
-4.407987
other
Ti2Fe1S4
7
12
113.85
mp-763989
12.462698
-1.024325
1.011688
other
Mn6O4F8
18
12
220.07
mp-31011
-5.193713
-3.999792
6.009916
other
Y4Si4Rh2
10
12
196.35
mp-2913178
10.422951
0.203806
0.548347
other
Li3Mn1F6
10
12
116.06
mp-33339
11.636027
9.870161
2.526085
other
Ba3Ti3O8
14
12
202.21
mp-1220591
-0.160541
0.435463
-2.952326
other
Pr4C2Br5
11
12
307.73
mp-1247459
1.443336
1.846868
1.492608
original
Sr8Cr3N8
19
12
372.37
mp-1225663
-8.439594
-5.12508
5.006513
other
Dy2Ga2Cu2
6
12
111.77
mp-1446497
1.146862
2.103109
1.643014
other
Ca4Mn2N4
10
12
156.13
mp-1045954
10.820808
12.562681
-0.473435
other
Zn2Fe9O13
24
12
257.42
mp-773238
6.836596
13.58899
-2.04706
other
Mn1Co4O8
13
12
139.51
mp-1280924
10.378287
12.85086
0.243925
other
Li8Mn4O8
20
12
223.4
mp-1232244
-2.959554
-2.38115
-5.837003
other
Sm2Mg2S6
10
12
271.27
mp-29094
11.499183
7.309216
0.675493
other
Nd18P6O42
66
12
1,007.48
mp-753386
7.169516
12.648405
-1.162416
other
Na4Ni8O12
24
12
237.79
mp-1175382
4.304175
19.327122
-1.82598
other
Li9Co7O16
32
12
284.07
mp-1045693
10.955522
9.110619
0.398372
other
Ca2Sn9O13
24
12
406.48
mp-1246138
2.192916
2.252788
1.757793
other
Fe3Ge8N8
19
12
247.83
mp-780108
6.13025
13.135892
-2.816649
other
Co8O12F4
24
12
225.78
mp-757061
8.333144
14.481432
-1.21757
other
Mn4Fe1O8
13
12
154.21
mp-1229165
-4.045094
-1.923212
-5.175489
other
Ag3Bi7S12
22
12
548.81
mp-1176084
4.202086
19.374174
-1.840621
other
Li9Co7O16
32
12
285.42
mp-1100485
7.04205
19.704859
-0.118939
other
Li9Mn7O16
32
12
298.14
mp-777599
8.595463
15.174707
-1.654782
other
Mn6O10F2
18
12
186.29
mp-1199505
-8.057985
-4.059599
3.66079
other
U4Ga20Pt11
35
12
611.82
mp-754844
8.347072
11.694209
-0.499761
other
Na4Ir2O6
12
12
135.11
mp-1224396
-5.74291
-1.355991
2.590879
other
Ge2As2W2
6
12
103.26
mp-2233607
6.472444
13.578944
-2.146492
other
Mg1Co4O8
13
12
136.11
mp-1219999
-8.206829
-4.961012
3.640785
other
Pr2Ge2Pd2
6
12
131.24
mp-13336
-5.712264
-3.76044
-1.542725
other
Rb1Sc5Te8
14
12
451.35
mp-1216209
-6.618972
-2.32726
6.299586
other
Y3Al28Cr8
39
12
625.36
mp-1080407
8.244716
10.467392
0.905749
other
Ca2Co1O3
6
12
131.27
mp-1247367
1.565057
1.758256
1.281049
other
Sr10Mn1N8
19
12
442.27
mp-9868
-4.661204
-1.650614
-5.681419
other
K2Cu6S4
12
12
212.88
mp-3033
10.920596
11.485671
3.193138
other
Rb4Ta4O12
20
12
333.99
mp-26724
10.039698
7.784728
-6.462404
other
Co2P8O24
34
12
532.59
mp-1246346
1.892505
1.953341
1.458666
other
Sr3Zn6N6
15
12
210.64
mp-753302
6.417948
12.948908
-2.810931
other
Co6O8F4
18
12
185.5
mp-1095622
11.590687
11.045758
-3.957595
other
Zr1Mo2O8
11
12
178.58
mp-756206
9.878901
2.447537
1.603037
other
Li4V4F16
24
12
333.62
mp-757738
9.155891
13.305179
-1.061908
other
Fe19Co5O32
56
12
619.42
mp-1077942
-4.667519
-2.73556
-3.577988
other
Rb2Te1Se4
7
12
233.25
mp-753131
12.670583
11.813958
1.63632
other
Li3Ti4O8
15
12
141.82
mp-541754
-6.205683
-2.921697
-2.069316
other
Ti2Cu4Te6
12
12
284.12
mp-32385
9.494585
7.974683
-6.139333
other
Ni7P6O24
37
12
476
mp-779343
10.557114
0.055624
0.311969
other
Li4Mn4F16
24
12
319.71
mp-759812
10.883095
12.732778
1.922457
other
Li4Ti11O24
39
12
452.1
mp-1220692
-4.139636
-0.053771
-3.906587
other
Nb3Ir1S8
12
12
243.93
mp-1178303
11.864302
1.279238
2.66374
other
Fe6O2F10
18
12
223.28
mp-1220630
-5.275636
0.047032
3.761797
other
Pr16Re25B24
65
12
993.35
mp-1174174
3.874658
19.61698
-1.829295
other
Li5Co3O8
16
12
140.84
mp-27386
1.31409
2.25996
-5.149675
other
Tl1Hg5Cl11
17
12
484.23
mp-1650463
6.269766
13.027686
-2.757833
other
Co8O12F4
24
12
237.87
mp-542096
-2.836342
0.062125
-5.339797
other
Cr2P2S8
12
12
266.18
mp-27124
-4.307399
-1.670666
-5.359158
other
Cu4Bi5S10
19
12
416.89
mp-1211303
-0.531735
1.294637
-4.276924
other
K1Hg5Br11
17
12
619.75
mp-613306
-5.902306
-3.434296
-2.422791
other
K2Ag6Te4
12
12
399.33
mp-759863
12.009966
12.6106
-1.261168
other
Na4V2O6
12
12
135.41
mp-1045572
5.778841
12.603897
-1.550125
other
Li1Ni4O8
13
12
137.96
mp-18807
10.569097
12.310373
-3.782699
other
V2Zn2O7
11
12
144.36
mp-1232722
-5.695406
-4.958076
0.720255
other
Ca2Mn4Sb4
10
12
258.57
mp-1217634
-2.584637
-2.804417
-5.473551
other
Tb3Sc2S7
12
12
256.46
mp-1275008
11.909778
13.288491
-1.934049
other
V3Zn2O8
13
12
145.73
mp-1567687
10.344416
3.080613
1.709908
other
V6O2F14
22
12
311.75
mp-1228093
8.327072
14.35003
-1.374817
other
Ba2Mn12O24
38
12
422.55
mp-1299522
6.312915
13.030241
-2.705661
other
Co4O6F2
12
12
120.8
mp-1223566
8.83944
10.486762
1.935202
other
La9Ni6O19
34
12
458.7
mp-1305141
6.328083
13.700839
-2.245872
other
Li2Co8O16
26
12
264.15
mp-1216279
-8.173586
-4.744323
4.811341
other
Y6Ga17Pt5
28
12
516.95
mp-634896
8.68292
2.201899
2.370795
other
Y2O2F2
6
12
74.96
mp-642803
1.078233
0.009905
-2.470407
other
Zr4H2Br4
10
12
212.61
mp-31051
-7.778968
-1.755061
2.830886
other
Ce2Si8Ni18
28
140
350.13
mp-662529
-6.942228
0.211843
4.395168
other
La2Fe18Si8
28
140
361.92
mp-1096842
-3.128743
-1.91706
-5.392692
other
Ba6Sn2S10
18
140
533.74
mp-1212203
-8.05831
-6.193247
5.978995
other
Ho10Sb2Pd4
16
140
400.06
mp-1207703
-8.192771
-6.199336
6.133602
other
Y10Sb2Pt4
16
140
411.59
mp-1080080
10.537108
8.72026
2.370293
other
La2Al2O6
10
140
108.67
mp-20991
5.989288
8.591768
-0.99295
other
Ba2Pb2O6
10
140
159.04
mp-760414
12.257247
9.06491
2.466959
other
Ti6Pd2O2
10
140
137.32
mp-27332
-0.487818
1.396189
-4.85729
other
Cs6Mn2Br10
18
140
728.2
mp-570262
1.386202
2.765574
-6.060443
other
Cs6Zn2Cl10
18
140
622.29
mp-1401686
9.329841
2.6681
1.397325
other
Zn2W2F8
12
140
190.29