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-1078455
12.275635
3.785376
-7.573022
other
Nd2S1O6
9
121
126.26
mp-1078387
-5.036098
-1.13414
-5.607157
other
Fe1Cu3S4
8
121
140.97
mp-1407385
-5.174167
-2.878744
-4.05544
other
Cu2Ge1Se4
7
121
163.42
mp-1223570
-5.859785
-3.74311
-1.960637
other
K8Sr1Te6
15
121
576.98
mp-1205655
-7.823473
-3.612564
3.100095
other
Nd1Sn6Ru4
11
121
234.39
mp-1213741
6.714976
6.226588
-3.843973
other
Cr1N3O8
12
121
177.96
mp-685956
-4.969749
-4.758875
-0.177429
other
In4As3Se1
8
121
250.7
mp-1025377
-1.218623
2.885776
-3.033701
other
Cd1Ag2I4
7
121
267.54
mp-29091
-4.739463
-1.266184
-5.799548
other
Ti1Cu4S4
9
121
154.28
mp-1195947
-4.820195
-6.722528
1.591155
other
K23Sn9Au12
44
121
1,558.96
mp-1227338
12.499141
6.050311
-1.682221
other
Be3Zn1O4
8
121
65.43
mp-549869
8.537831
4.079904
-6.760891
other
K4C1O4
9
121
152.91
mp-1224054
-3.815464
-3.81666
0.811394
other
Ho4Cu5P7
16
121
265.86
mp-557373
-4.636695
-0.568661
-5.196576
other
Cu2W1S4
7
121
154.66
mp-19140
6.81946
10.202618
-1.389693
other
K12Mn4O16
32
121
584.28
mp-546007
10.747777
10.503527
-0.332744
other
La2Mo1O6
9
121
151.98
mp-1223074
-5.925656
-4.87101
0.908636
other
La4Cu3Sb8
15
121
397.11
mp-1227456
-5.511242
-6.445424
3.656735
other
Ca10Ge6F1
17
121
440.62
mp-1219304
-5.968424
-1.043509
3.470426
other
Si6Ni1Mo9
16
121
227.29
mp-1212158
11.205001
9.969116
2.958871
other
Hf3Ge1O8
12
121
128.08
mp-34169
-4.792249
-2.883986
-3.975909
other
Zn1In2Se4
7
121
192.9
mp-551848
8.834733
3.253278
-7.637683
other
Li4C1O4
9
121
71.26
mp-1389664
-5.157343
-2.898633
-4.139637
other
Cu2Sn1Se4
7
121
169.31
mp-1191224
-8.120736
-9.80255
6.055977
other
Ce2Mg17Ru4
23
121
490.11
mp-1207836
6.760231
6.151487
-3.895008
other
V1N3O8
12
121
177.72
mp-760415
-3.660628
-1.279058
-5.582765
other
Li3Sb1S4
8
121
173.29
mp-38103
6.641173
5.897889
-3.472578
other
Na1Cl1O4
6
121
76.49
mp-20208
-7.834272
-3.647743
3.064508
other
Sm1Sn6Ru4
11
121
233.07
mp-1208577
6.859965
6.339662
-3.94842
other
Ta1N3O8
12
121
202.11
mp-1147769
-4.433496
-1.29765
-5.553765
other
Cu2Ge1S4
7
121
140.44
mp-760851
8.471173
14.892529
-1.170497
other
Na7Mn16O32
55
121
602.82
mp-1215725
-6.121624
-1.219114
3.790536
other
Zr1V9Ge6
16
121
231.58
mp-1202122
5.829378
5.169374
-4.208187
other
Pd3N16O16
35
121
647.25
mp-1223479
-0.478149
2.185063
-3.434288
other
Li24I10N5
39
121
838.62
mp-1025340
-5.194153
-2.236619
-3.761534
original
Cu2W1Se4
7
121
173.33
mp-19412
10.733959
11.709889
-3.205614
other
V1Ag3O4
8
121
120.45
mp-604254
-6.744121
-3.340532
6.427115
other
U4Al40Fe2
46
121
803.84
mp-551740
8.980964
3.482807
-7.819143
other
Li4C1O4
9
121
92.16
mp-19052
10.9063
11.55189
-2.907831
other
K3V1O4
8
121
156.69
mp-546551
9.207563
3.789299
-7.462415
other
Na4C1O4
9
121
104.14
mp-545760
8.400001
4.28257
-6.563794
other
Rb4C1O4
9
121
185.27
mp-1225610
-3.899871
-3.788438
0.820339
other
Er4Cu5P7
16
121
264.22
mp-1147776
-4.858869
-2.694383
-3.672574
other
K3V1Se4
8
121
318.64
mp-1209300
7.104628
6.014524
-3.626023
other
Rb3Cr1O8
12
121
201.81
mp-861182
-3.619016
-1.133852
-5.659794
other
Li4Ti1S4
9
121
183.62
mp-639910
-7.855072
-3.637786
3.08836
other
Y1Sn6Ru4
11
121
231.85
mp-2646995
-2.448148
-0.624758
-5.690604
other
Li3P1S4
8
121
159.51
mp-35539
-4.858491
-2.804802
-3.962079
other
Zn2Ge1Se4
7
121
171.64
mp-1219156
-3.727658
-3.907044
0.748809
other
Sm4Cu5P7
16
121
282.61
mp-549687
8.413817
4.091745
-6.612978
other
K4C1O4
9
121
192.07
mp-35777
-6.078987
-3.400108
-2.186527
other
Mg1In2Te4
7
121
252.4
mp-775539
6.789693
10.367929
-1.492819
other
K11Mn4O16
31
121
536.31
mp-510657
11.766879
12.120069
-1.770864
other
V1Cu3O4
8
121
95.25
mp-1211283
6.369782
0.506573
-3.391462
other
Li2B8H8
18
121
169.69
mp-1223602
-5.85096
-3.729203
-1.947357
other
K8Ca1Te6
15
121
580.91
mp-752917
10.774273
11.981442
-2.979315
other
Na3V1O4
8
121
117.13
mp-760172
12.093916
11.843918
2.078459
other
Na7Ti16O32
55
121
653.93
mp-675577
-6.110156
-3.346056
-2.087886
other
Mn1In2Te4
7
121
247.82
mp-1147680
10.465437
7.565729
-2.664475
other
Cu2Si1O4
7
121
82.37
mp-9814
-5.235124
-2.650569
-4.167024
other
Cu3Sb1Se4
8
121
180.6
mp-5702
-4.74789
-1.218628
-5.747451
other
Cu3Sb1S4
8
121
154.56
mp-1227429
-4.019823
-5.475048
5.068382
other
Ca10Si6F1
17
121
428.84
mp-561942
7.505427
5.812821
-3.439521
other
Cs3Ta1O8
12
121
229.12
mp-1224964
-3.65609
-3.96044
0.775856
other
Gd4Cu5P7
16
121
273.83
mp-863389
10.765169
11.514893
2.654117
other
Nb16Tl16O53
85
121
1,253.05
mp-1206665
-7.855069
-3.698045
3.105556
other
La1Sn6Ru4
11
121
236.18
mp-3269
8.534614
1.21881
1.673601
other
Na2Th4F18
24
121
331.21
mp-20752
-7.815013
-3.709229
3.151362
other
Ce1Sn6Ru4
11
121
233.43
mp-753195
-4.333154
-0.425859
-5.106082
other
Li2W1S4
7
121
193.86
mp-1025315
-6.052741
-3.338001
-2.130926
other
Mn1Al2Te4
7
121
223.73
mp-675748
-4.184083
-1.43823
-5.972807
other
Zn2Ge1S4
7
121
152.73
mp-1087531
7.283068
7.872257
-3.539293
other
Cs1B1O6
8
121
124.13
mp-1219289
-7.495444
-1.158223
2.601683
other
Si4Ni9B2
15
121
156.16
mp-1206351
-7.827991
-3.619274
3.087189
other
Pr1Sn6Ru4
11
121
235
mp-568661
-4.814885
-2.85537
-3.989662
other
Cd1In2Se4
7
121
204.39
mp-547898
8.470316
4.32588
-6.711375
other
Rb4C1O4
9
121
223.73
mp-1211704
7.270887
5.980343
-3.630269
other
K3V1O8
12
121
180.76
mp-27888
11.09707
9.909452
3.078902
other
Zr3Ge1O8
12
121
131.98
mp-1207460
-4.994742
-2.770819
-4.038696
other
Zn2Ga1Se4
7
121
172.46
mp-530141
12.156691
12.195358
1.854393
other
Li7Ti16O32
55
121
606.3
mp-1222237
8.73283
3.801069
-7.503673
other
Mg6C4O14
24
121
324.39
mp-4586
-6.072711
-3.421405
-2.199698
other
Li2Al2Te4
8
122
240.85
mp-10063
-5.605524
-5.79782
0.609323
other
Cd2Sn2Sb4
8
122
280.11
mp-7801
2.425108
2.127196
1.602879
other
Ca2Ge2N4
8
122
105.63
mp-1232173
-4.181043
-4.174085
-3.820981
other
Ho4Mg2Se8
14
122
326.28
mp-1213223
12.737647
8.463587
-1.513112
other
Fe10Ge6O24
40
122
464.08
mp-34116
-2.662714
-2.746972
-5.771634
other
Tm4Mg2S8
14
122
277.38
mp-1246352
1.145913
2.517343
1.980747
other
Ga2Fe2N4
8
122
86.5
mp-35876
-2.656239
-2.777987
-5.512713
other
Ca2Nd4S8
14
122
315.76
mp-38901
-2.723626
-2.949353
-4.991702
other
Nd4Sm2S8
14
122
312.1
mp-37312
-3.9275
-4.158478
-3.620908
other
Na2La16Se24
42
122
1,131.26
mp-1207203
-3.344454
-3.743955
0.611592
other
Mn2Si2P4
8
122
160.8
mp-1247145
0.746762
2.440711
1.756879
other
Li2Os2N4
8
122
100.64
mp-36305
-5.450339
-3.826239
-0.851936
other
Pr4U2Te8
14
122
429.97
mp-676497
-5.31758
-3.858007
-0.612173
other
Ce4U2Te8
14
122
425.93
mp-33569
-3.949513
-4.183958
-3.735003
other
Sr2La4Se8
14
122
385.1
mp-1193332
9.353031
10.263244
0.021609
other
Rb10Fe6O12
28
122
550.45
mp-675458
-5.813897
-3.831338
-1.536895
other
La4Te8Pb2
14
122
464.58
mp-1245555
0.963817
2.330786
1.470283
other
Li2Ir2N4
8
122
99.7
mp-1232185
-4.086283
-4.213821
-3.853809
other
Pr4Mg2Se8
14
122
355.35