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-27193
7.531985
6.570259
-2.833178
other
Rb1I1O3
5
160
92.3
mp-1218097
-4.833939
-0.786972
-3.098362
other
Ta4Mo1Se10
15
160
348.38
mp-560676
-5.214305
0.201472
-5.36783
other
Cr1Ag1S2
4
160
71.71
mp-2221105
11.246997
11.827042
0.528376
other
Mg1Mn1O2
4
160
50.2
mp-1223096
-8.638017
-0.165706
4.533103
other
La2Ti1Co16
19
160
255.45
mp-793791
10.592941
11.627304
0.400293
other
Sm1Fe2O4
7
160
95.05
mp-569978
1.215941
1.929761
-4.357642
other
Na2Ti3Cl8
13
160
279.66
mp-1096795
-2.986249
-2.39803
-5.935589
other
Y1Ag1S2
4
160
94.67
mp-1219099
-9.564458
-4.589778
3.849562
other
Sm1Cu4Pd1
6
160
91.64
mp-1229031
-8.459301
-5.024054
2.003896
other
Ag1Pd2Au1
4
160
64.56
mp-9630
-5.272756
-0.45458
-5.733847
other
Tl1Cr1S2
4
160
82.93
mp-34730
8.248153
13.309601
-1.053957
other
Zn2Fe4O8
14
160
156.63
mp-1185703
-6.171893
-8.331386
5.642362
other
Mg16Al12Rh1
29
160
571.17
mp-25273
11.910161
11.154713
-2.373173
other
Li1Mo3O8
12
160
162.3
mp-7861
-5.547206
-2.074894
-4.218049
other
Cr1Cu1Se2
4
160
77.84
mp-1096980
8.241951
13.280709
-1.203518
other
Fe1Ag1O2
4
160
45.83
mp-1185656
-6.088966
-8.356586
5.645157
other
Mg16Al12Co1
29
160
572.36
mp-1225227
-6.962333
-0.438003
3.232028
other
Fe3Co3Si2
8
160
86.7
mp-1400626
8.490639
0.869381
0.391522
other
Tl1Ag1F3
5
160
86.83
mp-1222028
4.324235
5.630429
-3.108963
other
Mg1Cl1O1
3
160
49.14
mp-1221730
-6.486979
-1.018477
4.127242
other
Mn7Al4V5
16
160
199.89
mp-676105
8.399777
1.634038
1.694458
other
Ba8Bi2F17
27
160
610.59
mp-532059
-2.730099
-2.651941
-5.802227
other
Er20Cd10S40
70
160
1,776.03
mp-1217209
-5.922954
-3.192202
1.943497
other
Ti5Fe4Sb4
13
160
247.92
mp-1029367
0.504763
2.579586
1.735072
other
Mn1Co1N2
4
160
37.77
mp-1221580
-4.405379
-1.184326
-5.875575
other
Mn1Hg1S2
4
160
97.78
mp-616900
-4.077492
-1.324139
-5.916881
other
Zn2In4S8
14
160
337.42
mp-771611
12.891904
12.338991
-0.195403
other
Li5V4O8
17
160
157.34
mp-35308
4.290081
2.389571
-3.291333
other
Cu1C1N1
3
160
52.75
mp-753608
8.959906
15.064631
-0.967804
other
Mn5O7F1
13
160
157.34
mp-2214547
9.113764
13.325452
-1.048628
other
Fe5Cu1O8
14
160
153.14
mp-1185644
-5.999212
-8.500107
5.542198
other
Mg16Al12Bi1
29
160
595.99
mp-5862
-5.635232
-0.46399
-5.877421
other
Cr1Cu1S2
4
160
65.27
mp-1222684
-4.090163
-7.656843
6.503689
other
Li2Mg3Si2
7
160
127.3
mp-1177520
-3.648743
-1.3347
-5.469612
other
Li3Sb1S3
7
160
141.52
mp-1217572
-7.077716
-4.492652
6.462185
other
Tb1Dy3Al8
12
160
240.38
mp-1185690
-6.182645
-8.475175
5.682384
other
Mg16Al12Pd1
29
160
574.11
mp-8196
6.171813
5.096249
-4.473795
other
Ag1N1O3
5
160
66.94
mp-1216140
-4.757359
-2.872628
-4.006404
other
Zn1In3Se6
10
160
299.1
mp-1040809
6.106327
12.538951
-1.451489
other
Mg2Ni4O8
14
160
143.17
mp-1215648
-6.240821
-3.39712
-2.300191
other
Zn4Te3O1
8
160
201.95
mp-975160
-6.254721
-8.242494
5.835122
other
Nd1Mg16Al12
29
160
595.22
mp-1227086
-1.167414
0.50444
2.232561
other
Ca1Si3C4
8
160
98.78
mp-1221066
6.773497
13.75466
-1.525917
other
Na1Co1O2
4
160
43.2
mp-1247003
1.84221
2.049891
0.854719
other
K1Ca1N1
3
160
82.9
mp-2210655
12.645126
10.635884
1.780495
other
Mg1Ti1O2
4
160
55.91
mp-1226745
-3.449648
-3.977459
0.733246
other
Cd1Ge1P2
4
160
95.19
mp-767791
7.099463
13.706824
-1.884778
other
Mg5Co19O32
56
160
544.03
mp-1185700
-6.231347
-8.535173
5.661339
other
Mg16Al12Pt1
29
160
574.07
mp-1245875
0.38982
2.252068
2.064173
other
Mn1V1N2
4
160
41.04
mp-675749
9.945951
8.540034
3.106861
other
Sm6Th4O17
27
160
434.4
mp-35091
-5.50435
-5.708852
0.599534
other
Li31Zr2Sb13
46
160
922.24
mp-1096824
12.380447
8.017291
0.198318
other
Al1Ag1O2
4
160
44.58
mp-757911
12.554429
7.553214
0.564779
other
Mg1Al10O16
27
160
258.54
mp-1096975
-5.447634
-0.821101
-4.516185
other
Fe1Cu1S2
4
160
59.65
mp-1227340
-5.828687
-3.619789
-2.057887
other
Bi1Sb1Te3
5
160
175.6
mp-1048900
12.949055
12.510083
-0.588923
other
Mg4V8O16
28
160
313.73
mp-30068
4.094911
2.687602
-3.609416
other
C1I1N1
3
160
93.01
mp-1215466
-4.83415
-2.662995
-4.224485
other
Zn1Hg1Se2
4
160
109.17
mp-1040792
6.669568
12.188515
-1.193085
other
Ca2Ni4O8
14
160
166.01
mp-675137
-4.250935
-1.164778
-5.817659
other
Cu4Sn7S16
27
160
583.49
mp-1221650
-6.026729
-3.257191
-2.19706
other
Mn1Cd1Te2
4
160
134.84
mp-759724
10.040504
0.393867
0.082626
other
Li3Mn1F7
11
160
146.8
mp-1044669
9.711541
8.662014
-0.007678
other
Mg2Bi4O8
14
160
224.65
mp-1215447
-4.168235
-1.515374
-6.160715
other
Zn1Hg1S2
4
160
93.85
mp-1222996
-6.500177
-6.654155
3.244795
other
Li5Yb4Sn5
14
160
352.57
mp-5020
9.606608
10.633797
3.243851
other
Ba1Ti1O3
5
160
65.64
mp-1216318
-7.3209
-1.000489
4.906092
other
Y3Th3Mn23
29
160
446.16
mp-1044648
12.803376
10.847001
1.773806
other
Mg2Ti4O8
14
160
154.77
mp-545630
8.359243
4.146608
-6.65557
other
K4C1O4
9
160
161.8
mp-1185717
-6.27067
-8.304294
5.874007
other
Mg16Al12W1
29
160
556.26
mp-756637
10.10512
8.177551
1.491261
other
Ba9Ge3O15
27
160
544.27
mp-532427
-5.012763
-5.140099
0.558185
other
Li47Mn5As19
71
160
1,083.12
mp-2218818
12.582999
11.621296
1.850155
other
Mg1Ti4O8
13
160
154.06
mp-1184194
-6.223351
-8.22956
5.806929
other
Dy1Mg16Al12
29
160
588.63
mp-1247558
0.804765
2.432495
1.824605
other
K1Fe1N1
3
160
45.31
mp-1185716
-6.192803
-8.410259
5.765086
other
Mg16Al12V1
29
160
574.46
mp-1044682
9.587456
8.693895
0.026313
other
Ca2Bi4O8
14
160
247.89
mp-1386281
8.402654
10.249162
-3.622243
other
Cr1W1O6
8
160
109.74
mp-2221118
9.01983
12.338984
-0.505845
other
Mg1Ni1O2
4
160
44.43
mp-1223059
-7.030609
-4.536291
6.233247
other
La3Sc1Al8
12
160
258.55
mp-1226811
-6.049064
-3.4226
-2.503351
other
Cd4Te3Se1
8
160
278.37
mp-1219295
-8.744372
-0.040756
4.465899
other
Sm1Gd1Co17
19
160
240.3
mp-1227595
-8.155841
-6.251924
1.877185
other
Ca4Bi6Au20
30
160
661.1
mp-1228507
-5.787641
-5.779931
4.740012
other
Ba2Ca3Al9
14
160
348.46
mp-1219168
-8.665532
-0.150665
4.474136
other
Sm2Co16Ge1
19
160
246.87
mp-1206603
-5.039472
-2.231509
-3.782019
other
Rb1Cr1Se2
4
160
99.65
mp-1228866
-5.341718
-5.745853
0.460037
original
Al1In1Sb2
4
160
132.87
mp-1177739
-4.930556
0.197733
-4.958293
other
Li3V4S8
15
160
253.01
mp-1221922
-7.674748
-1.782009
2.648265
other
Mn3Ni3Sn2
8
160
113.02
mp-7794
-3.56614
-1.604915
-5.702232
other
K1Sn1S2
4
160
104.88
mp-1215532
-5.396382
-2.556586
-4.067153
other
Zn4Fe1Se5
10
160
234.75
mp-1222019
-6.076038
-3.441294
-2.383458
other
Mg1Cd1Te2
4
160
138.23
mp-1044715
7.106712
11.170406
-0.964162
other
Zn2Cu4O8
14
160
148.23
mp-28377
-1.242075
3.005854
-2.913561
other
Cs1Ge1I3
5
160
225.07
mp-1220178
-9.587745
-4.609162
3.868506
other
Nd1Cu4Pd1
6
160
93.26
mp-1224348
-5.69734
-3.500717
-2.107137
other
Ge1Sb2Te4
7
160
235.92
mp-1222141
-5.612354
-3.369865
-2.902407
other
Mg2Te1S1
4
160
113.9
mp-757008
8.550586
13.266738
-1.275287
other
Mg1Fe10O16
27
160
296.62
mp-1225391
-7.180329
-0.401881
3.21872
other
Fe3Co3Ge2
8
160
93.63