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-675892
-5.709225
-3.657926
-1.959063
other
Yb2Sb4Te8
14
122
471.73
mp-1094098
-6.043742
-3.498745
-2.199986
other
Na2Ga2Te4
8
122
271.5
mp-883520
14.623307
8.936401
-3.398779
other
V8P6O24
38
122
436.46
mp-1016197
-4.60068
-4.986418
0.26638
other
Mg2Si2As4
8
122
187.04
mp-675146
-4.019433
-4.185464
-3.87069
other
Pr4Pb2Se8
14
122
377.04
mp-15702
6.37179
2.554188
-2.976164
other
Mg2C2N4
8
122
62.3
mp-677162
-5.992048
-3.784745
-1.816481
other
Yb2Bi4Te8
14
122
491.9
mp-1245895
1.447147
2.242765
2.019753
other
Al2Cr2N4
8
122
88.25
mp-34011
-2.569873
-2.714985
-5.595685
other
Ca2Ho4S8
14
122
291.29
mp-1232075
-4.233202
-4.16867
-3.772514
other
Er4Mg2Se8
14
122
324.76
mp-675620
-2.695303
-2.698066
-5.725529
other
Nd4Pb2S8
14
122
326.96
mp-3078
-4.693922
-5.067986
0.337271
other
Cd2Si2As4
8
122
192.11
mp-1078469
3.279741
2.61804
1.064596
other
Cu2P2N4
8
122
76.23
mp-673682
-2.581933
-2.814569
-5.52349
original
Tb4Yb2S8
14
122
291.97
mp-1079714
-2.897485
-3.853373
0.566535
other
Si2Hg2P4
8
122
173.84
mp-777785
10.118258
0.542043
0.338279
other
Li4Fe4F16
24
122
313.31
mp-36821
-4.161529
-4.089319
-3.847335
other
Nd4Cd2Se8
14
122
361.1
mp-1232240
-2.609365
-2.647278
-5.568443
other
La4Mg2S8
14
122
322.19
mp-38125
-4.222284
-4.045829
-3.818317
other
Sm4Cd2Se8
14
122
352.91
mp-1232080
-4.671637
-3.468525
-3.837389
other
Eu4Mg2Se8
14
122
351.26
mp-675067
-2.69605
-2.661014
-5.658774
other
Sm4Zn2S8
14
122
307.21
mp-675638
-2.618695
-2.717206
-5.752159
other
Pr4Pb2S8
14
122
334.09
mp-4756
-5.558693
-5.702837
0.562628
other
Zn2Sn2Sb4
8
122
252.75
mp-8017
-6.137295
-3.097715
-2.253099
other
Al2Cu2Te4
8
122
218.71
mp-675037
-2.709312
-2.769415
-5.387942
other
Sm4Eu2S8
14
122
313.08
mp-1245628
2.38344
1.883195
1.73854
other
Y2Al2N4
8
122
104.43
mp-677272
-2.571738
-2.781605
-5.382842
other
La4Eu2S8
14
122
332.69
mp-35421
-2.545402
-2.738981
-5.45311
other
Ca2La4S8
14
122
329.48
mp-674804
-4.105262
-4.135924
-3.836196
other
Sm4Pb2Se8
14
122
365.3
mp-34987
-2.680879
-2.952161
-5.033072
other
Sm2Dy4S8
14
122
292.8
mp-36912
-2.707872
-2.686372
-5.707712
other
Pr4Cd2S8
14
122
323.81
mp-2221948
8.297126
10.469447
-3.261979
other
Gd2Cr2O8
12
122
168.38
mp-1232082
-4.256931
-4.137812
-3.814539
other
Tm4Mg2Se8
14
122
322.01
mp-728474
8.37571
1.954358
-0.835673
other
Zr4O4F16
24
122
378.63
mp-3524
3.371346
2.621444
0.78967
other
Li2P2N4
8
122
73.79
mp-34508
-2.604094
-2.770701
-5.463638
other
Sr2Sm4S8
14
122
320.1
mp-1009087
-4.4346
-4.919458
0.403233
other
Be2Si2As4
8
122
151.64
mp-14232
13.762396
4.231098
-2.34121
other
Li2B2O4
8
122
56.93
mp-4899
-6.027827
-3.339269
-2.26226
other
Ga2Ag2Te4
8
122
245.11
mp-38240
-2.505365
-2.816271
-5.54902
other
Sr2Pr4S8
14
122
334.11
mp-35630
-4.1109
-4.104712
-3.863528
other
Pr4Cd2Se8
14
122
366.64
mp-675677
-2.70972
-2.807181
-5.418583
other
Yb2Sm4S8
14
122
301.49
mp-1009083
-3.309718
-4.058413
0.647695
other
Mg2Sn2P4
8
122
199.97
mp-3668
-3.522792
-3.921384
0.668737
other
Cd2Ge2P4
8
122
179.81
mp-1102824
7.906933
7.589453
-4.262982
other
K2P2O8
12
122
238.89
mp-1078680
-5.118685
-5.86501
0.403006
other
Mg2Si2Sb4
8
122
248
mp-34175
-4.003799
-4.037199
-3.542194
other
Ce4Cd2Se8
14
122
362.7
mp-676154
-2.580147
-2.793485
-5.543191
other
Yb2Dy4S8
14
122
290.37
mp-28948
12.228199
12.128235
-2.134185
other
Cs4V8O18
30
122
501.15
mp-1009085
-3.086195
-3.752822
0.800691
other
Be2Si2P4
8
122
133.17
mp-573909
4.076839
2.391037
-3.263555
other
Hg4C8N8
20
122
448.69
mp-34770
-4.05881
-4.207269
-3.735662
other
Sr2Gd4Se8
14
122
359.82
mp-14091
-4.872032
-2.919173
-4.218359
other
Al2Ag2Se4
8
122
196.76
mp-35787
-2.559438
-2.719959
-5.571128
other
Ca2Dy4S8
14
122
293.76
mp-35281
-2.814787
-2.637619
-5.628539
other
Sm4Cd2S8
14
122
310.34
mp-1245529
2.065393
2.236979
1.335776
other
Li2Sb2N4
8
122
109.56
mp-675912
-2.874505
-2.618108
-5.393243
other
Yb4Sm2S8
14
122
299.92
mp-33312
-5.480098
-3.904921
-0.908814
other
Nd4U2Te8
14
122
425.36
mp-26512
10.092821
7.964797
-6.811655
other
Ni8P6O24
38
122
401.06
mp-22753
-3.057875
0.534252
2.924568
other
U2Fe2C4
8
122
94.17
mp-1257684
-5.247018
-2.870107
-4.225288
other
Al4Cu6Se12
22
122
505.59
mp-4979
-4.758492
-1.203564
-6.119163
other
Al2Cu2S4
8
122
146.43
mp-38931
-2.682803
-2.878386
-5.067193
other
Tb4Sm2S8
14
122
294.14
mp-676072
-3.953544
-4.037848
-3.530917
other
Ce4Pb2Se8
14
122
374.59
mp-22736
-4.749651
-1.270909
-5.924641
other
In2Cu2S4
8
122
169.53
mp-35651
-3.563548
-4.083085
-3.125926
other
La4U2Se8
14
122
360.15
mp-1219789
1.240112
2.281669
-5.630455
other
Rb4Ba2Cl8
14
122
454.97
mp-5058
-4.831523
-0.903314
-5.313215
other
Fe2Ag2S4
8
122
162.41
mp-35746
-2.542997
-2.718268
-5.570675
other
Sr2Y4S8
14
122
311.5
mp-1009082
-4.800075
-5.070929
0.283616
other
Mg2Sn2As4
8
122
221.56
mp-1223418
-2.655486
-2.929228
-4.897016
other
La4Ce2S8
14
122
330.43
mp-37520
-5.78282
-3.829211
-1.524142
other
Ca2Pr4Te8
14
122
448.04
mp-1229192
1.230633
2.459914
-5.933139
other
Cs4Ba2Cl8
14
122
504.07
mp-36007
-3.999337
-4.314219
-3.749858
other
Ba2Nd4Se8
14
122
391.55
mp-1232057
-4.18936
-4.14762
-3.805537
other
Sm4Mg2Se8
14
122
343.68
mp-540900
13.258594
4.740664
-2.664006
other
B12Pd6O24
42
122
401.41
mp-675293
-2.615088
-2.764776
-5.546978
other
Yb2Y4S8
14
122
291.09
mp-36819
-3.829026
-4.141489
-3.40694
other
Sr2Ce4Se8
14
122
372.94
mp-25261
8.151796
7.198168
-3.868663
other
Fe4Se8O24
36
122
608.37
mp-1232369
-6.07586
-3.442431
-2.38418
other
Mg2Cd2Te4
8
122
276.61
mp-4763
-3.017229
-3.763362
0.765908
original
Zn2Si2P4
8
122
151.01
mp-675925
-2.793028
-2.618443
-5.235804
other
Ce4Pb2S8
14
122
331.3
mp-725218
8.045471
7.849602
-4.078795
other
K2P2O8
12
122
216.43
mp-674329
-5.95984
-3.822809
-1.470283
other
La4Cd2Te8
14
122
455.32
mp-1009088
-4.765664
-4.731701
0.149481
other
Be2Ge2As4
8
122
158.31
mp-1247533
4.314296
2.486345
-3.334885
other
Pt4C8N8
20
122
325.9
mp-1232278
-4.19558
-4.186244
-3.757776
other
Tb4Mg2Se8
14
122
331.44
mp-34376
-2.707149
-2.690928
-5.730612
other
Tb4Cd2S8
14
122
300.06
mp-558363
13.520447
8.818951
-7.011642
other
V2P4O14
20
122
245.08
mp-36733
-4.162045
-3.974109
-3.805709
other
La4Cd2Se8
14
122
375.18
mp-14090
-5.000589
-2.916101
-4.152766
other
Tl2Cu2Se4
8
122
205.5
mp-34145
-2.816399
-2.623667
-5.168645
other
Ce4Cd2S8
14
122
315.02
mp-1029395
0.763317
2.641682
1.842216
other
Li2Cr2N4
8
122
89.88
mp-1009086
-3.223912
-3.896461
0.709278
other
Be2Sn2P4
8
122
161.09
mp-983565
-4.640172
-2.834046
-4.101583
other
Cu2B2Se4
8
122
135.12
mp-1232119
-2.726768
-2.683838
-5.656151
other
Mg2Sc4S8
14
122
259.57
mp-38292
-5.900187
-3.816375
-1.661321
other
Sm2Bi4Te8
14
122
456.39
mp-677132
-4.243938
-4.014837
-3.822227
other
Gd4Cd2Se8
14
122
343.94
mp-15703
6.139378
2.435075
-2.487141
other
Be2C2N4
8
122
48.94
mp-18895
7.071398
10.883322
-0.881901
other
K2Co2O4
8
122
117.23