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-6930
14.994183
5.924328
0.108247
other
Si3O6
9
154
113.71
mp-1195863
5.164563
3.213156
-3.417352
other
Zn6N36
42
154
584.65
mp-569030
1.631954
2.315399
-5.014346
other
Be9Cl18
27
154
948.22
mp-1185695
-8.54594
-5.807191
1.989307
other
Mg1Au5
6
155
104.62
mp-1180144
-5.910603
-1.216877
3.863336
other
Mn1Mo3
4
155
93.55
mp-2647026
-5.35131
-3.02191
3.958338
other
Ti10Si2
12
155
195.8
mp-1215393
-5.221586
-2.965644
2.620175
other
Zr3Te2
5
155
131.56
mp-1094377
-7.298962
-9.041197
6.559445
other
Mg4Ti2
6
155
124.71
mp-1185828
-7.070731
-11.163532
4.845304
other
Mg5Te1
6
155
142.39
mp-976969
-6.309708
-6.949616
2.368883
other
Mg1Pb5
6
155
177.07
mp-1215419
-4.678366
-2.582603
2.471931
other
Zr3S2
5
155
101.79
mp-1094213
-6.44121
-6.275344
2.124408
other
Mg2Sn4
6
155
154.33
mp-973295
-7.44009
-10.42109
4.879346
other
Mg5Hg1
6
155
128.7
mp-1094360
-4.931095
-7.541082
3.560858
other
Sr5Mg1
6
155
297.45
mp-979459
-7.29669
-6.90633
7.218562
other
Sm5Mg1
6
155
190.73
mp-17977
-6.879733
-0.667891
2.354687
other
Fe12As5
17
155
213.16
mp-1094333
-4.852112
-7.451868
3.544027
other
Sr4Mg2
6
155
260.89
mp-1038921
-7.285415
-11.204796
4.317224
other
Mg5Bi1
6
155
146.57
mp-1184696
-7.518785
-6.798357
6.952148
other
Ho5Mg1
6
155
178.03
mp-1228656
-5.692801
-5.529292
3.410123
other
Ba8Ge43
51
155
1,278.98
mp-981382
-7.450319
-7.462436
1.784735
other
Mg1Hg5
6
155
143.43
mp-1038971
-6.273167
-6.048843
5.770901
other
Ce5Mg1
6
155
163.16
mp-1185845
-4.86775
-4.993478
0.197188
other
Mg3As3
6
155
131.48
mp-1094638
-6.240271
-5.569591
3.654449
other
Mg1Ga5
6
155
108.73
mp-1185835
-7.197115
-10.330215
5.000664
other
Mg5In1
6
155
134.38
mp-546546
15.626295
5.644453
0.381858
other
Si3O6
9
155
143.26
mp-1185811
-7.001341
-10.768657
4.857058
other
Mg5Ge1
6
155
128.94
mp-1219486
7.410521
7.907575
-3.263332
other
Rh1O3
4
155
103.99
mp-14506
-6.065275
-3.443808
-2.101535
other
Al14Te20
34
155
1,130.7
mp-1094273
-7.74569
-10.076588
6.559342
other
Mg5Ti1
6
155
132.14
mp-1185839
-7.95312
-6.692717
2.071077
other
Mg1Ag5
6
155
104.62
mp-2056
-5.61761
-1.697536
-3.108423
other
Ni3Se2
5
155
74.41
mp-684989
-5.267109
-0.189483
3.232385
other
W18C8
26
155
338.19
mp-1094199
-7.114038
-10.849531
4.817307
other
Mg5Sn1
6
155
136.06
mp-1039048
-6.365773
-7.034822
1.143214
other
Mg4Bi2
6
155
155.92
mp-1094194
-9.241806
-5.974365
3.457648
other
Mg1Zn5
6
155
91.04
mp-1038785
-7.339911
-7.100163
2.532326
other
Mg6Cd12
18
155
382.5
mp-976885
-5.752464
-7.116631
3.536131
other
Li4Mg2
6
155
123.46
mp-1185832
-6.937292
-10.553411
4.765924
other
Mg5Pb1
6
155
140.15
mp-1184181
-7.440661
-6.622261
6.635241
other
Er5Mg1
6
155
175.05
mp-1185807
-7.381302
-10.329065
4.766606
other
Mg5Ag1
6
155
123.62
mp-30418
-8.497216
-5.81516
2.015885
other
Sn1Au5
6
155
110.74
mp-669311
-6.112249
-3.437633
-2.085152
other
In14Te20
34
155
1,289.83
mp-559092
8.477608
1.219662
1.774656
other
Sc1F3
4
155
67.36
mp-1039318
-6.736573
-10.731909
5.97791
other
Ca1Mg5
6
155
155.85
mp-1185699
-6.344801
-5.605353
0.469221
other
Mg1Bi5
6
155
183.46
mp-1185921
-8.847425
-1.2932
2.631058
other
Mg1Ni5
6
155
69.65
mp-1185860
-9.399158
-4.617301
3.705538
other
Mg1Cu5
6
155
76.61
mp-1094605
-6.938813
-11.025145
5.561065
other
Li2Mg4
6
155
128.59
mp-1186745
-7.244433
-6.903402
7.286315
other
Pr5Mg1
6
155
203.89
mp-18388
-6.016234
-3.366968
-2.230333
other
Ga14Te20
34
155
1,106.87
mp-2351903
-7.34182
-7.542442
1.770134
other
Mg1Hg5
6
155
154.99
mp-1094295
-6.505754
-10.964186
5.969974
other
Sr1Mg5
6
155
167.12
mp-569103
-7.417909
-9.654197
4.253857
other
Mg18Hg6
24
155
516.14
mp-1094405
-7.716688
-9.963426
6.748164
other
Y1Mg5
6
155
150.07
mp-1185901
-6.64503
-6.81495
2.899111
original
Mg2In4
6
155
146.29
mp-1094625
-7.049227
-10.552882
5.064752
other
Mg4Ga2
6
155
120.02
mp-976976
-8.212081
-4.220676
1.878646
other
Mg1Pd5
6
155
91.01
mp-1185837
-7.748588
-9.781547
6.448879
other
Mg5Sc1
6
155
137.76
mp-1100712
-3.453575
-8.095245
7.294439
other
Mg18Si10
28
155
548.51
mp-1094329
-4.989279
-3.050392
4.115762
other
Mg2Ti4
6
155
111.46
mp-1187967
-5.964113
-7.307019
4.445472
other
Yb5Mg1
6
155
223.1
mp-362
-5.384718
-1.177084
-4.028883
other
Ni3S2
5
155
65.49
mp-1039631
-6.632766
-6.047802
5.473422
other
Ce4Mg2
6
155
162.98
mp-1039332
-5.160705
-7.354738
3.95674
other
Ca4Mg2
6
155
212.84
mp-1094229
-6.641439
-6.148913
2.056599
other
Mg1Sn5
6
155
155.88
mp-1187640
-7.540935
-6.820148
7.051837
other
Tm5Mg1
6
155
173.37
mp-1186293
-7.272662
-6.836985
7.078597
other
Nd5Mg1
6
155
198.37
mp-1094201
-7.054575
-6.516372
6.287269
other
La4Mg2
6
155
197.25
mp-1094907
-7.245006
-10.745564
4.717905
other
Mg4Cd2
6
155
128.67
mp-1094560
-6.894839
-10.051186
3.195917
other
Mg4Sb2
6
155
145.63
mp-1094421
-7.589029
-10.870015
4.974179
other
Mg4Zn2
6
155
121
mp-1217073
-4.184611
-1.104941
-3.158557
other
Ti3S2
5
155
82.56
mp-1094500
-8.517647
-7.471287
3.752803
other
Mg2Zn4
6
155
104.61
mp-561418
12.352997
8.999747
2.567413
other
Zr12O4
16
155
287.57
mp-1094218
-6.824527
-6.559822
6.365211
other
La5Mg1
6
155
209.45
mp-1094425
-7.419056
-10.947863
5.355065
other
Mg5Zn1
6
155
124.16
mp-1094796
-7.329821
-10.799037
5.127914
other
Mg15Cd3
18
155
391.78
mp-1094711
-7.791638
-9.710254
6.542574
other
Ce1Mg5
6
155
149.77
mp-530048
8.424897
13.139951
-1.433522
other
Fe21O32
53
155
570.06
mp-1094564
-7.227779
-11.141648
4.533379
other
Mg5Sb1
6
155
139.32
mp-1186862
-7.183753
-6.676338
6.930506
other
Tb5Mg1
6
155
183.38
mp-1185813
-7.493204
-10.127166
4.787546
other
Mg5Au1
6
155
123.48
mp-1183822
-7.423046
-6.8729
7.110913
other
Dy5Mg1
6
155
180.67
mp-1094242
-6.934319
-10.503165
4.278157
other
Mg4Sn2
6
155
139.28
mp-1094657
-7.33716
-10.850647
5.299248
other
Mg5Ga1
6
155
126.11
mp-981935
-5.891343
-7.012792
3.406419
other
Li5Mg1
6
155
120.62
mp-978292
-3.095158
-4.00825
0.612764
other
Mg3P3
6
155
117.7
mp-1094378
-7.364701
-6.813586
6.667375
other
Y4Mg2
6
155
177.51
mp-1094644
-6.328402
-5.844161
3.746301
other
Mg2Ga4
6
155
110.96
mp-1213655
6.898425
6.127336
-3.738637
other
Ga8O40
48
158
639.34
mp-1078313
-6.933898
-4.582613
0.481885
other
Bi6Pt3
9
157
240.89
mp-597
-7.299317
-2.261862
3.268303
original
Ti9Ni9
18
157
245.46
mp-16886
-8.480371
-6.130837
2.213147
other
Cd9Au9
18
157
340.97
mp-755169
-5.869877
-6.83882
1.653835
other
Tl6S1
7
157
224.75
mp-567701
-5.532827
-6.12629
4.247527
other
Ba21Al40
61
157
1,698.36
mp-1105780
9.526998
8.580299
-0.585243
other
Bi8O12
20
159
315.49
mp-1014369
0.672043
2.566699
1.862422
other
Cr12N16
28
159
349.1
mp-9410
6.091207
2.486082
-2.799983
other
C12N16
28
159
174.2
mp-568867
2.579647
2.156866
1.612874
other
Si12N16
28
159
297.65