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-1185712
-6.16905
-8.295899
5.749271
other
Mg16Al12Tc1
29
160
570.1
mp-1215545
-9.341593
-4.827574
3.129937
other
Zn1Cu2Au1
4
160
57.67
mp-23910
11.330259
12.263604
-1.135847
other
Cr1H1O2
4
160
34.85
mp-771245
6.258188
13.062602
-2.471514
other
Fe1Co3O8
12
160
131.28
mp-1068340
-0.402869
1.23565
-4.778275
other
Cs1Ge1Br3
5
160
182.01
mp-1186845
-6.255021
-8.572538
5.7483
other
Pu1Mg16Al12
29
160
597.7
mp-760755
12.549049
7.51646
0.57498
other
K1Al11O17
29
160
308.29
mp-2210698
-5.225573
-0.871356
-4.827384
other
Mg1Ni1S2
4
160
62.9
mp-1208142
-4.733658
-0.41351
-5.103954
other
V3Cu4S8
15
160
277.52
mp-34052
11.970508
12.448872
1.550077
other
Li7Ti7O16
30
160
298.81
mp-1223022
-6.732528
-3.551576
5.469217
other
La1U3Al8
12
160
236.39
mp-9791
-3.538869
-1.656951
-5.332966
other
Tl3As1S3
7
160
193.65
mp-1247049
1.76013
1.959615
0.828096
other
K1Sr1N1
3
160
96.76
mp-1226697
-7.766055
1.00252
5.066676
other
Ce1Y1Fe17
19
160
259.54
mp-1219957
-8.846657
-0.120668
4.533797
other
Pr2Co16Cu1
19
160
249.13
mp-10225
-4.856991
-0.121226
-5.207014
other
Na1V1S2
4
160
73.67
mp-1094066
-3.001713
-2.40417
-5.70598
other
Sc1Ag1S2
4
160
83.65
mp-29738
6.628696
5.824928
-3.40607
other
Tl1Cl1O3
5
160
94.23
mp-1096976
11.214045
8.180742
-1.108147
other
Ga1Ag1O2
4
160
48.57
mp-1048861
12.971447
10.674067
-0.033599
other
Mg2Mo4O8
14
160
181.73
mp-1221405
6.43624
13.525125
-1.98413
other
Na1Co2O4
7
160
86.55
mp-38011
-3.172319
-1.359275
-5.622427
other
K1H1S1
3
160
69.39
mp-1147745
-1.16917
2.810297
-2.814438
other
Cs1Si1I3
5
160
230.12
mp-531175
11.344898
8.212807
-0.555587
other
Cd8Ga16O32
56
160
671.16
mp-1225160
8.809836
13.098829
-1.379433
other
Fe21H1O32
54
160
620.77
mp-1185681
-6.200683
-8.303916
5.651933
other
Mg16Al12Ir1
29
160
571.03
mp-1025115
-1.109411
2.560515
-3.113384
other
Cd2I2Br2
6
160
204.41
mp-29798
6.858465
6.06777
-3.142229
other
Tl1Br1O3
5
160
87.97
mp-1207105
-3.51177
-0.882526
-4.605835
other
Zr1S2N1
4
160
97.6
mp-540938
8.301604
1.64905
0.980127
other
Pb5I2F8
15
160
317.4
mp-1096827
-4.763286
-1.1419
-6.045814
other
Al1Cu1S2
4
160
67.9
mp-27594
-3.263921
-1.622908
-5.52891
other
As4Pb9S15
28
160
745.65
mp-625509
9.544095
2.44787
-3.995025
other
H3Br1O1
5
160
67.54
mp-1226733
-4.870649
-2.630231
-4.186852
other
Cd1Hg1Se2
4
160
117.3
mp-1187046
-6.266029
-8.294943
5.837234
other
Sm1Mg16Al12
29
160
596.13
mp-1223423
-9.237296
-1.473081
2.856401
other
La2Mg1Ni9
12
160
173.02
mp-7375
10.530399
11.491034
3.238181
other
K1Nb1O3
5
160
66.43
mp-1219584
6.310575
4.966541
-4.481524
other
Rb1N1O3
5
160
95.3
mp-1215413
-9.612644
-3.515589
3.328363
other
Zn1Cu2Ni1
4
160
48.03
mp-1078110
-4.508893
-1.143868
-5.806237
other
Mn1Ga2S4
7
160
150.63
mp-867750
13.325198
10.491201
1.240569
other
Ti3P1O7
11
160
136.02
mp-1065204
-5.625666
-0.223367
-5.871555
other
Cr1Ag1S2
4
160
73.16
mp-760386
6.684455
5.774226
-3.343718
other
Cs1Cl1O3
5
160
109.08
mp-1219083
-7.763035
1.040331
5.088953
other
Sm1Dy1Fe17
19
160
258.1
mp-1215924
-5.750141
-3.641866
-1.794337
other
Y1Sb1Te3
5
160
171.01
mp-1186062
-6.082308
-8.487843
5.743964
other
Na1Mg16Al12
29
160
594.66
mp-766828
10.907477
12.772178
1.895778
other
Li4Ti15O32
51
160
600.97
mp-1223646
-5.386297
-5.732502
0.403664
other
In1Ga1Sb2
4
160
133.72
mp-28240
5.348497
3.330647
-4.167712
other
C1S1O1
3
160
76.06
mp-560890
9.063576
1.161241
1.409574
other
Li18Sc6F36
60
165
613.16
mp-1209410
-0.682212
1.242239
-4.760691
other
Rb6Co6Br18
30
165
918.65
mp-1201743
7.084544
7.843996
-3.411774
other
Fe6As6O36
48
165
669.62
mp-31901
11.591523
12.467827
0.858609
other
Mn8Nb4O18
30
165
348.9
mp-17993
11.720161
12.253213
0.946854
other
Ta4Mn8O18
30
165
348.18
mp-770527
8.186339
14.548526
-1.310655
other
Li4Mn8O18
30
165
287.03
mp-762258
9.248323
9.771633
0.069979
other
Na4Sn8O18
30
165
386.83
mp-17481
10.930317
11.057592
2.49246
other
Mg8Ta4O18
30
165
323.29
mp-568136
-0.728838
0.995192
-4.301603
other
Rb6V6Br18
30
165
929.59
mp-1210704
12.773266
10.129446
1.661908
other
Mg4Ta8O18
30
165
339.55
mp-558933
11.661912
7.387736
-0.963311
other
Na12Ge24O54
90
165
1,122.01
mp-559996
13.225709
6.375515
-7.174218
other
Al6P18O54
78
165
993.36
mp-704141
5.920869
11.558601
0.386978
other
Sr30Co24O72
126
165
1,603.3
mp-557372
11.603228
7.336148
-0.866253
other
Rb12Ge24O54
90
165
1,262.43
mp-1210013
12.089879
11.636492
0.41221
other
Nb4Fe8O18
30
165
352.86
mp-29747
11.654989
12.348955
0.760455
other
Ta8Mn22O42
72
165
884.11
mp-560875
11.638041
7.369395
-0.893177
other
K12Ge24O54
90
165
1,253.39
mp-776468
11.581036
8.528072
-6.238528
other
P16W6O58
80
165
1,180.6
mp-768702
10.841883
11.52995
2.262926
other
Ta4Zn8O18
30
165
341.65
mp-769610
10.483439
10.992081
3.333466
other
Ca10Ta8O30
48
165
622.82
mp-1192950
6.749893
6.083777
-3.845706
other
Rb4Sn2O24
30
165
584.25
mp-17841
10.833014
11.390388
2.475288
other
Mg8Nb4O18
30
165
326.17
mp-1208436
12.187159
11.416306
0.407978
other
Ta4Fe8O18
30
165
351.14
mp-769268
10.416075
10.269452
3.406548
other
Sr8Ta4O18
30
165
471.13
mp-863369
10.089783
2.506625
2.021896
other
Li8V4F18
30
165
322.84
mp-769394
10.026862
10.082618
3.254873
other
Ba8Ta4O18
30
165
541.5
mp-1193780
8.841811
14.068892
-0.595076
other
Mn6In6O18
30
165
364.42
mp-608080
10.915444
7.016057
-6.228666
other
Al12P16O64
92
165
2,758.41
mp-769307
10.382265
10.595777
3.261807
other
Ca8Ta4O18
30
165
406.03
mp-28801
10.441819
10.126356
3.13741
other
La10Ti8O30
48
165
600.96
mp-31513
10.466915
12.59897
-0.248498
other
Nb4Co8O18
30
165
325.27
mp-17808
10.839845
11.589718
2.186678
other
Nb4Zn8O18
30
165
344.66
mp-1200631
8.281676
2.045385
-0.615336
other
In2Sb6F36
44
165
694.61
mp-772151
10.656476
12.713935
1.899941
other
Li4Ti8O18
30
165
301.84
mp-1210337
7.603337
10.348606
0.761687
other
Sr30Rh24O72
126
165
1,773.85
mp-761057
10.215832
10.740601
3.401546
other
Sr10Nb8O30
48
165
650.5
mp-769582
10.263233
10.747524
3.500706
other
Sr10Ta8O30
48
165
642.21
mp-863438
10.882772
12.30895
-0.046491
other
Ta4Co8O18
30
165
336.24
mp-12671
10.886664
7.93842
2.889161
other
Er2S1O2
5
164
78.92
mp-3563
9.978391
10.632723
3.342596
other
Ba5Nb4O15
24
164
353.46
mp-2968
-5.547191
-5.282866
0.697135
other
Sr1Mn2Sb2
5
164
141.84
mp-29644
-5.955423
-3.648799
-1.954846
other
Ge1Bi4Te7
12
164
414.5
mp-13973
10.373481
8.047537
2.902758
other
Gd2Se1O2
5
164
90.28
mp-1226231
-6.36239
-0.336281
3.563943
other
Cr3Ru3C2
8
164
88.42
mp-1205902
-6.689427
-6.540167
3.56689
other
Li5Cu2Ge2
9
164
120.76
mp-1222640
12.333108
11.819319
1.53057
other
Li2Nb1O3
6
164
64.75
mp-1214396
9.753934
10.074534
3.305928
other
Ba4Nb2O9
15
164
267.65
mp-1219792
-3.991645
-0.216656
-3.869298
other
Rb1Nb2S4
7
164
145.33
mp-1018762
-5.883442
-5.737478
0.895213
other
Li3Ce1Bi2
6
164
145.4
mp-1247374
0.519029
2.316719
2.04161
other
Sr1Mn2N2
5
164
61.92
mp-9385
-4.4595
-2.590029
-4.34903
other
Rb1Au3Se2
6
164
178.11