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-12953
-5.975152
-3.675154
-1.710673
other
Tm1Ag1Te2
4
164
113.1
mp-1078294
8.311296
2.205064
-1.113808
other
Sn1N2F6
9
164
129.17
mp-2210716
-3.837184
-0.939416
-5.031771
other
Mg1Ti1S2
4
164
65.85
mp-1206416
-4.267127
-4.749903
6.261607
other
Ho1Al2Si2
5
164
100.14
mp-756094
-5.361717
-0.718058
-4.501919
other
Li1Fe1S2
4
164
57.82
mp-1247380
2.117766
2.286751
1.284896
other
Zn2In1N2
5
164
67.88
mp-10402
8.704084
1.348487
1.118976
other
Ti1Tl2F6
9
164
144.55
mp-1246112
0.824256
2.249122
2.021326
other
Li2V1N2
5
164
43.13
mp-1216710
-6.563693
-1.373697
4.501889
other
U4Cr7Si1
12
164
181.32
mp-561443
-2.465908
-0.719059
-5.278406
other
Ba3P2S8
13
164
340.21
mp-21421
11.489306
8.804593
2.707057
other
Pu2S1O2
5
164
87.56
mp-777843
2.689026
2.372806
1.585421
other
Ge16N16O8
40
164
428.08
mp-1070314
-5.018509
-5.216941
0.435873
other
Eu1Cd2As2
5
164
125.95
mp-1223818
1.278474
2.318068
-5.618629
other
K2Na1Cl3
6
164
167.22
mp-1246150
1.57895
1.708317
1.271412
other
Ba1Sr2N2
5
164
134.77
mp-1192440
10.549425
10.636969
3.36708
other
Eu5Ta4O15
24
164
324.86
mp-1101917
-5.976311
-3.675472
-1.953906
other
Sn1Bi4Te7
12
164
427.06
mp-1226812
-3.13623
-3.80461
-3.12596
other
Ce2Th1S3
6
164
143.9
mp-726124
7.500643
6.58707
-3.204688
other
Ni1I2O6
9
164
156.3
mp-1246182
0.554842
2.3442
1.988657
other
Ba1Mn2N2
5
164
67.34
mp-562631
6.886543
7.130618
-3.478533
other
K4S2O8
14
164
245.34
mp-1226017
-6.228669
-2.246423
-0.680209
other
Co1Ni1Te2
4
164
71.52
mp-1212198
6.548158
6.590887
-3.754803
other
Hg1Cl2O14
17
164
252.42
mp-1247051
2.07173
2.364587
1.303138
other
Mg1Pb2N2
5
164
92
mp-1220734
-4.213161
-0.322463
-3.567833
other
Nb2Fe1S4
7
164
114.62
mp-1246570
2.268788
2.152524
1.573764
other
Ca1Ge2N2
5
164
78.57
mp-4638
-6.094322
-3.09251
-2.16805
other
Tl1Cr1Te2
4
164
116.27
mp-1222716
-3.99113
-0.103796
-3.616249
other
Li1Ta2S4
7
164
126.04
mp-1247546
2.040405
2.195517
1.404212
other
Zn2Cd1N2
5
164
63.67
mp-1216848
-7.12713
0.055978
4.400314
other
Ti2Nb2Fe8
12
164
152.37
mp-8280
-4.755766
-5.315213
0.426039
other
Ba1Mg2As2
5
164
135.84
mp-570930
-4.524518
-3.249491
-3.728376
other
Bi2Pb2Se5
9
164
267.91
mp-11917
2.564892
2.362458
1.482591
other
Mg1Be2N2
5
164
37.93
mp-1202320
11.61256
7.385541
-2.406384
other
Mn16Si12O50
78
164
1,093.16
mp-7770
-4.844187
-4.946157
0.282428
other
Sr1Zn2As2
5
164
111.92
mp-1217935
-7.015807
0.123392
4.017145
other
Ta2Fe8W2
12
164
155.66
mp-1028594
-9.416069
1.996613
-3.852463
other
Te8Mo2W2
12
164
439.7
mp-1206373
-4.633578
-2.495624
-3.223935
original
Li1Hf1Se2
4
164
78.5
mp-1221224
1.10854
1.759596
-5.168031
other
Na3Br1Cl2
6
164
138.82
mp-10918
-0.602104
0.546354
0.040504
other
Rb2Pd1C2
5
164
132.57
mp-7431
-5.442456
-5.744651
0.582209
other
Sr1Zn2Sb2
5
164
136.51
mp-1224923
-5.826543
-1.541091
4.915848
other
Gd2Fe5Si8
15
164
215.58
mp-8181
2.108238
1.958818
1.591328
other
Li2Ce1N2
5
164
60.05
mp-1216060
-3.157069
-4.030437
-2.866143
other
Y2U1Se3
6
164
143.2
mp-1246439
0.922464
2.351451
1.887504
other
Li2Ru1N2
5
164
45.18
mp-28222
-0.517815
1.186842
-4.473511
other
Rb3Sb2Br9
14
164
518.28
mp-1096785
-4.18561
-1.417848
-6.016076
other
Al2Zn2S5
9
164
176.88
mp-571448
1.379924
2.487634
-5.913037
other
Cs2Pu1Cl6
9
164
296.02
mp-2647029
1.503918
2.279199
-4.101791
other
Ti2C1Cl2
5
164
83.84
mp-7779
-5.24196
-4.743437
0.610751
other
Li2Nd1As2
5
164
111.87
mp-1247124
0.985337
2.425777
1.7975
other
Li2Co1N2
5
164
40.67
mp-20595
-4.111599
-5.070574
6.085104
other
Eu1Al2Si2
5
164
107.54
mp-7543
-5.049863
0.007232
-5.147869
other
Li1V1S2
4
164
63.48
mp-862787
-4.808859
-2.994585
-4.032124
other
Al6In6Se18
30
169
815.54
mp-1173465
8.437053
2.440144
-1.071445
other
Os6O12F24
42
169
925.57
mp-757594
8.436646
2.50991
-1.139434
other
Os6O12F24
42
169
608.58
mp-504951
-3.985665
-1.303305
-5.853029
other
In6Ga6S18
30
169
718.62
mp-504952
-4.783619
-2.790896
-3.923865
other
In6Ga6Se18
30
169
819.59
mp-504482
-3.998208
-1.358304
-5.955678
other
Al6In6S18
30
169
713.39
mp-1211077
7.165878
7.786854
-3.530114
other
Li12I6O36
54
169
751.94
mp-1209235
8.535189
1.113658
1.936972
other
Rb2Sc6F20
28
17
427.73
mp-1199037
10.621363
11.786736
3.25686
other
Na8Nb8O24
40
17
519.12
mp-33326
-3.695486
-4.069967
0.874609
other
Li24Mn8P16
48
17
773.03
mp-1200058
6.892365
11.965883
1.627618
other
Sr16Mn12O40
68
17
896.67
mp-1212444
8.397524
1.663678
-0.379985
other
In6N2F20
28
17
466.67
mp-1209107
8.247779
1.414016
0.938298
other
Sc6N2F20
28
17
434.92
mp-560381
8.507833
1.118812
0.931879
other
Rb2In6F20
28
17
462.66
mp-680683
13.792018
4.18527
-2.391866
other
Cs4B36O56
96
17
1,210.57
mp-30148
5.978637
2.302686
-2.798615
other
B2C4N2
8
17
47.44
mp-1216781
11.786895
10.229991
1.862047
other
U2Nb2O10
14
17
199.47
mp-850025
9.480918
7.858291
-6.133734
other
Co24P24O96
144
170
2,308.28
mp-1179308
7.036608
5.989252
-4.298278
other
Sr3S6O30
39
171
707.66
mp-1214392
7.025574
5.896059
-4.347774
other
Ca3S6O30
39
171
661.03
mp-726207
7.023986
5.900121
-4.351425
other
Ca3S6O30
39
172
662
mp-761288
12.852011
5.714314
-3.185491
other
Mn2B2O6
10
167
95.03
mp-1246532
4.913494
2.115603
-2.721327
other
Bi4C6N12
22
167
403.58
mp-552588
10.618235
11.998482
2.537289
other
Li2Nb2O6
10
167
111.44
mp-28564
-0.304932
1.474656
-4.598032
other
Rb8Pb2Br12
22
167
858.04
mp-1196964
-3.222559
-4.26645
0.79748
other
Ba18Al18P30
66
167
1,828.86
mp-18290
-5.599001
-7.012757
3.54957
other
Sr12Ga10N2
24
167
664.54
mp-1192709
-0.384016
0.971666
-4.450907
other
Cs6Ho4Br18
28
167
1,058
mp-1183021
12.017407
6.550925
-6.577375
other
Al22P24O96
142
167
2,497.86
mp-1019742
15.247254
5.588854
-0.285435
other
He4Si4O8
16
167
201.71
mp-1192144
2.552347
2.064286
1.541048
other
Nd6B6N12
24
167
295.33
mp-989593
0.956109
2.413981
1.792186
other
La2Tc2N6
10
167
124.18
mp-555428
8.792576
10.953178
0.70945
other
Sr30Re12O72
114
167
1,687.45
mp-548824
7.141218
8.357375
-0.63849
other
Ba2Tb2O6
10
167
174.92
mp-989581
0.927264
2.380825
1.822286
other
La2Re2N6
10
167
123.46
mp-31358
13.694729
4.509668
-2.182584
other
Rb6B6O12
24
167
386.14
mp-642996
3.097114
-0.639709
-2.036604
other
Li8H12Os2
22
167
195.44
mp-1143773
15.247253
5.588855
-0.285435
other
He4Si4O8
16
167
201.71
mp-29331
9.292562
1.895926
-1.451553
other
K2H6F8
16
167
181.12
mp-753948
12.088001
9.853546
2.270036
other
Pr2Ti2O6
10
167
124.52
mp-15012
-2.982466
-0.873762
-5.418667
other
K6B6S12
24
167
598.95
mp-505346
13.947648
5.788147
-1.596218
other
Eu6B4O12
22
167
291.67
mp-15571
-4.805876
-3.028037
-4.057877
other
K6Au2Se4
12
167
419.57
mp-1078188
8.051567
11.32488
0.194528
other
Li2Os2O6
10
167
99.41
mp-754684
8.139792
9.613983
1.386542
other
Ba8Ir2O12
22
167
390.23
mp-770347
6.720923
11.530573
0.71877
other
Tb2Ni2O6
10
167
108.19
mp-23436
-0.218108
1.620765
-4.816646
other
Cs8Pb2Br12
22
167
964.83