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-777443
9.585145
0.686591
-0.37111
other
Li6Fe3F18
27
12
297.65
mp-573891
-4.657526
-2.874678
-4.01164
other
K4Ag8Se6
18
12
452.01
mp-1397700
6.740047
12.594429
-1.187968
other
Ca2Ni4O8
14
12
161.13
mp-1225233
-6.677205
-6.643704
3.186562
other
Eu2Zn2Sn2
6
12
152.81
mp-754730
-1.188607
1.990313
-1.876523
other
Sr4Ca4I16
24
12
1,260.09
mp-1246821
1.586843
1.815068
1.34173
other
Sr8Ni3N8
19
12
353.2
mp-571055
-6.683271
0.239929
3.440213
other
Fe11Mo6C5
22
12
237.2
mp-570292
-2.517359
0.541969
2.427149
other
La7Os4C9
20
12
365.57
mp-1217454
-7.015855
-0.939119
4.534111
other
Th2Mn17C2
21
12
324.25
mp-1103379
-4.709801
-3.000284
-3.72167
other
Cs4Sn2Se6
12
12
495.52
mp-1384862
0.717309
2.75214
1.778906
other
Zn4W2N4
10
12
139.09
mp-1105097
-4.119502
-0.079826
-4.463889
other
Ti4Co1S8
13
12
229.61
mp-1213793
7.412666
7.889795
-3.91014
other
Co3P2O16
21
12
251.88
mp-760843
8.070609
14.502712
-1.091046
other
Na11Mn13O32
56
12
659.08
mp-540757
9.763682
12.244802
-3.948992
other
V2Cu1O6
9
12
97.33
mp-754870
7.977499
13.149747
-0.780455
other
Li4Rh2O6
12
12
105.63
mp-16909
10.995689
10.800604
-3.588094
other
K2Mo6O18
26
12
389.96
mp-1025344
-6.419388
-2.456388
-1.664787
other
V1Cr2Te4
7
12
171.72
mp-1225215
-7.80591
-6.092236
4.102308
other
Eu2Ga2Cu2
6
12
123.53
mp-505149
-5.321926
-1.759995
-3.714502
other
Cs1Cr5Se8
14
12
314.02
mp-28755
-0.603976
0.725852
-2.432558
other
Gd2C2Br2
6
12
138.1
mp-779328
7.34713
11.109898
-0.800124
other
Na2Cu4O6
12
12
122.7
mp-1047307
11.122682
9.403488
0.255626
other
Zn2Sn4O8
14
12
205.02
mp-1104042
-4.838409
-5.079429
0.373053
other
Sr4Zn4As6
14
12
336.4
mp-1199550
-8.824078
-0.191476
2.550745
other
Y3Ni19B10
32
12
329.75
mp-4847
-7.271168
-3.472264
5.91845
other
Y4Al23Ni6
33
12
533.94
mp-680610
-8.332922
-5.413755
3.395203
other
Pr4In21Pd10
35
12
774.5
mp-1232615
-5.984312
-5.678279
0.659111
other
Ba2Mn4Bi4
10
12
299.05
mp-570723
-4.748228
-4.314508
5.464324
other
La10Si10I6
26
12
769.44
mp-1216467
-6.626383
-5.626046
3.945245
other
Yb20Zn30Ge31
81
12
1,610.85
mp-31874
10.639684
7.893034
-6.917731
other
Fe2P8O24
34
12
533.52
mp-752549
9.316115
0.677655
0.624876
other
Li1Ag1F2
4
12
48.9
mp-1203078
-2.689399
-2.804709
-5.45137
other
Sm4Er11S22
37
12
864.25
mp-1193196
-0.577659
1.45161
-3.998994
other
Re6Br18O4
28
12
808.54
mp-754047
9.338348
8.534919
-0.041696
other
Rb6Sb2O6
14
12
353.54
mp-1197806
8.892001
10.678104
1.124556
other
Ba16Re6O37
59
12
996.77
mp-1226571
-3.01047
-3.778428
-3.399097
other
Ce1Sm3S4
8
12
184.42
mp-1410375
11.72759
11.531919
0.206551
other
Mg4Fe4O8
16
12
197.14
mp-777595
10.072694
0.621371
0.360186
other
Li2Fe2F8
12
12
161.79
mp-1276673
13.098413
12.122218
-0.199404
other
Al4V8O16
28
12
298.45
mp-1399347
1.013989
2.402811
1.749842
other
Zn4Co2N4
10
12
124.39
mp-1402980
6.8595
13.731868
-1.935551
other
Mg2Co4O8
14
12
134.27
mp-759338
9.811938
14.955777
-1.336211
other
Mn6O8F4
18
12
196.91
mp-7657
-5.825205
-3.574346
-1.868039
other
K6Si2Te6
14
12
528.41
mp-1225775
-7.689671
1.026207
4.833888
other
Er2Fe17C2
21
12
264.37
mp-1228765
-8.181412
-6.691243
4.487842
other
Er2Tl2Cu2
6
12
143.74
mp-1227096
-7.750463
-5.966697
4.100363
other
Ca2Ga2Cu2
6
12
117.37
mp-1412190
1.159154
2.419251
1.85279
other
Mg4Co2N4
10
12
117.74
mp-1400735
10.731232
9.652241
-0.046749
other
Mg2Sb3O8
13
12
180.09
mp-759854
10.209787
12.801018
-0.346802
other
Na5Fe11O16
32
12
335.43
mp-505397
1.399085
2.308106
-5.654803
other
K2Pu1Cl6
9
12
290.07
mp-755874
6.572904
17.705452
-0.540944
other
Na4Mn2O6
12
12
122.54
mp-18988
6.874277
17.828773
-0.578842
other
Li8Mn4O12
24
12
195.47
mp-676553
-1.179173
2.944529
-2.88386
other
Rb2Cr2I6
10
12
396.64
mp-690644
-3.604109
-1.427158
-5.55138
other
Tl1In1S2
4
12
133.69
mp-1232146
-4.615931
-3.575097
-3.759004
other
Yb4Mg4Se12
20
12
593.33
mp-754866
10.675829
0.733754
-1.02169
other
Co8O4F12
24
12
281.53
mp-757064
8.421215
14.285105
-1.572133
other
Ti1Mn5O12
18
12
217.19
mp-559631
8.619272
11.359529
-0.731495
other
Bi12Rh24O58
94
12
1,204.53
mp-1273062
10.740188
4.620075
-4.177443
other
Co2H4O4
10
12
85.73
mp-726396
2.55227
2.920271
-4.015473
other
Sb2N4Cl10
16
12
570.94
mp-1100881
10.807908
11.553739
3.333132
other
Y2Ta6O18
26
12
371.13
mp-29062
8.555284
1.417395
1.181468
other
Th2Zr4F24
30
12
411.05
mp-29618
-5.600225
-1.055622
2.21466
other
Ni2P6W4
12
12
170.19
mp-1178487
9.547933
8.522102
-0.563431
other
Bi10O14F2
26
12
505.64
mp-1175514
4.147035
19.617611
-1.793653
other
Li9Co7O16
32
12
287.35
mp-1174652
5.378596
20.738726
-0.645519
other
Li5Mn3O8
16
12
154.32
mp-530879
12.138659
9.669682
2.115181
other
Ba12Ti12O27
51
12
798.57
mp-1097885
6.622488
15.259159
-1.572964
other
Li4Co4O8
16
12
138.98
mp-1196484
-2.637865
-2.820893
-5.483811
other
Pr4Er11S22
37
12
878.51
mp-22754
11.005201
8.091928
-4.222942
other
Ni4As4O14
22
12
264.73
mp-861577
11.222645
13.784917
-1.244972
other
Li8V4O12
24
12
216.17
mp-1221438
6.401266
13.87944
-2.136897
original
Na2Co6O12
20
12
222.35
mp-779455
12.000669
12.436576
1.132707
other
Li7Ti5O12
24
12
214.6
mp-1377116
7.854604
9.140036
0.041948
other
Nd2Ta2O9
13
12
188.73
mp-977244
-4.839342
-1.57289
-3.07716
other
Na1Ti5Se8
14
12
301.59
mp-559760
10.891006
8.141724
2.682984
other
Sc4I4O4
12
12
279.25
mp-531021
8.145984
14.564094
-1.051576
other
Li11Mn13O32
56
12
568.6
mp-672231
-1.533023
0.146025
-1.993506
other
La6Ge6Br4
16
12
441.76
mp-754971
9.10451
8.51452
0.165213
other
Cs6Tm2O6
14
12
371.76
mp-1245832
1.532745
1.999053
1.096421
other
Ca4Cu4N4
12
12
211.17
mp-1232175
-3.095697
-2.145972
-5.754518
other
Mg2Sc2S6
10
12
240.87
mp-1443117
1.575554
1.859007
1.219106
other
Ca4Cu2N4
10
12
158.95
mp-1542758
12.191339
10.64837
0.426698
original
Sr2Mo2O6
10
12
135.04
mp-1216817
-5.353399
-3.483452
4.772317
other
U2Si2Au2
6
12
119.08
mp-771265
8.342588
14.197034
-1.596784
other
Ti2Mn18O40
60
12
698.38
mp-1180241
6.793326
6.51956
-3.582111
other
Na2Pt1O6
9
12
120.52
mp-997019
6.738791
8.91116
-1.213628
other
Ag2Pb2O4
8
12
149.28
mp-1226819
-7.644092
-4.909904
3.704767
other
Ce2Ni2Sn2
6
12
127.47
mp-766393
11.610917
12.650686
1.724562
other
Li7Ti11O24
42
12
451.61
mp-1273130
16.218584
9.760441
5.064821
other
Mg6Fe2O8
16
12
151.08
mp-779013
8.750839
15.470686
-1.467033
other
Mn8O12F4
24
12
254.74
mp-865631
6.318815
13.489244
-1.296468
other
Li2Ni2O4
8
12
66.32
mp-561133
10.228776
10.719725
3.394923
other
Sr5Nb4O15
24
12
333.3
mp-1220225
-8.884783
-5.89506
4.243921
other
Nd2Cu2Ag2
6
12
125.85
mp-1105281
6.278562
5.473617
-4.17601
other
Cr2N4O8
14
12
268.66
mp-1208115
9.573931
11.533756
-4.251388
other
V4N2O10
16
12
248.91
mp-9902
-5.281258
-3.153496
5.612133
other
Sc4Co2Si4
10
12
160.25
mp-29590
8.961267
1.702347
0.505026
other
Sn4O2F10
16
12
228.96
mp-753670
-1.067543
2.234398
-2.621991
other
Ca1Pb1I4
6
12
266.04