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-1207031
-0.618276
1.191064
-2.003201
other
Gd2Ga2I2
6
164
181.64
mp-1029316
1.863051
2.153217
1.743546
other
Na2Zr1N2
5
164
86.73
mp-637292
-5.434651
-0.398136
-5.836566
other
Na1Cr1S2
4
164
71.65
mp-1028459
-9.908289
2.592893
-4.527991
other
Te4W4Se4
12
164
401.26
mp-4150
-5.705942
-4.941837
0.723708
other
Ca1Mn2Sb2
5
164
129.05
mp-1068431
-5.562649
-5.491028
0.704384
other
Yb1Zn2Sb2
5
164
129.4
mp-753920
10.904076
8.078832
2.915476
other
Tm2Se1O2
5
164
81.82
mp-1217815
-5.512557
-2.227381
-1.472174
other
Ta1Ti1Te4
6
164
170.91
mp-1206615
-5.953158
-3.47155
-1.802066
other
Lu1Cu1Te2
4
164
102.27
mp-1103410
-5.821993
-3.764407
-2.058862
other
Bi6Te4S2
12
164
408.24
mp-1247265
1.911062
2.14569
1.4923
other
K2Ti1N2
5
164
93.37
mp-571647
-1.09832
0.966669
-1.411795
other
La2P1I2
5
164
180.65
mp-1216841
-5.285145
-1.632512
1.817497
other
Ti1Cr1P2
4
164
59.36
mp-1018631
-4.484265
-1.525322
-5.715522
other
Dy1Cu2S2
5
164
85.68
mp-1246166
0.312702
2.15367
2.292191
other
Zr1Fe2N2
5
164
52.11
mp-1247326
2.292975
2.235343
1.682341
other
Mg1Ge2N2
5
164
70.99
mp-759173
10.175866
12.255221
-4.056214
other
Li1V3O8
12
164
159.57
mp-1245589
2.03474
2.326764
1.356543
other
Mg2Pb1N2
5
164
74.8
mp-8995
8.576837
1.442921
1.388067
other
Cs2Nb1F6
9
164
173.19
mp-1182952
-6.042338
-3.586914
-2.051681
other
Ag3Bi3Te6
12
164
358.8
mp-1029309
1.843391
2.186463
1.892356
other
Na2Hf1N2
5
164
85.21
mp-1208793
-5.409151
-5.942966
0.438881
other
Sm1Mg5Sb4
10
164
270.9
mp-22214
8.437415
0.909123
0.076487
other
Rb2Rh1F6
9
164
144.06
mp-17939
8.984438
1.285885
1.227764
other
Na6Si3F18
27
164
346.54
mp-1245720
1.928274
2.382898
1.283904
other
Zn1Pb2N2
5
164
108.3
mp-3534
-5.718493
-3.471285
-2.101476
other
Ge2Sb2Te5
9
164
283.52
mp-1246950
4.63694
2.24971
-3.177271
other
Mn1C8N6
15
164
257.54
mp-8018
8.56835
1.169886
-0.092429
other
K2Rh1F6
9
164
129.41
mp-1018769
-5.497382
-5.482575
0.695465
other
Li3Nd1Sb2
6
164
134.21
mp-23789
11.779252
4.828712
-4.015693
other
Mn2H4O4
10
164
88.11
mp-1227675
-8.709793
-0.198725
4.463616
other
Ce4Co32Cu2
38
164
491.45
mp-1206429
1.51737
1.92695
1.97819
other
Li2U1N2
5
164
58.59
mp-1069723
-5.226074
-3.871447
0.824311
other
U1Cu2As2
5
164
93.66
mp-27912
10.684098
4.726361
-4.134284
other
Ni1H2O2
5
164
37.86
mp-759839
9.627161
1.831566
0.507344
other
Li2V1F6
9
164
142.42
mp-1235976
11.375437
8.601624
2.39823
other
Li1Ho2O3
6
164
76.29
mp-697921
11.893507
4.557824
-3.511721
other
Mg5H8O9
22
164
176.73
mp-553303
8.391437
9.843798
-0.451209
other
Cs1Cu3O2
6
164
124.77
mp-3833
-3.707066
-5.011624
6.186648
other
Mg1Al2Si2
5
164
96.45
mp-13972
10.717128
7.920611
2.746744
other
Sm2Se1O2
5
164
93.28
mp-1218046
-6.973338
-0.69277
3.727169
other
Ta2Co8Si2
12
164
144.64
mp-12894
10.662873
8.064794
2.806907
other
Y2S1O2
5
164
82.12
mp-1224903
-5.84127
-1.029247
-3.800811
other
Fe1Ni1S2
4
164
52
mp-29615
-6.103498
-5.721633
0.703822
other
Ca1Mn2Bi2
5
164
143.26
mp-1218051
-4.356195
-0.070596
-3.471044
original
Ta4Mo1S8
13
164
242.93
mp-1224375
-5.721349
-3.473361
-2.083872
other
Ge2Sb2Te5
9
164
273.09
mp-10919
-0.71506
0.496633
0.173217
other
Rb2Pt1C2
5
164
131.62
mp-570955
1.315851
1.976168
-5.149123
other
Na6U3Cl18
27
164
796.63
mp-1206993
-4.453924
-4.671088
6.164805
other
Nd1Al2Si2
5
164
105.01
mp-570549
-6.042942
-3.584608
-2.062613
other
Ag3Bi3Te6
12
164
362.43
mp-29659
-6.070698
-3.069179
-1.670082
other
Fe3Ag3Te6
12
164
289.67
mp-1221403
11.497056
11.253097
-2.328176
other
Na1W3O9
13
164
168.46
mp-7979
8.473968
1.233568
-0.250205
other
K2Pd1F6
9
164
129.12
mp-8645
-5.628493
-3.43913
-1.74081
other
Ge1Te7As4
12
164
346.46
mp-1048826
11.580398
13.065159
-0.162125
other
Al4Cr12O24
40
164
437.84
mp-1017628
-3.40357
-3.933674
0.947694
other
Mg1Be2P2
5
164
71.49
mp-5330
-4.492042
-4.500797
6.100827
other
La2Al2Si4
8
164
173.42
mp-1030119
-5.898602
2.029041
-4.906017
other
Mo2W2S8
12
164
304.62
mp-10996
-5.518135
-5.916412
0.580068
other
Yb1Mg2Sb2
5
164
143.4
mp-1212709
-6.372777
-1.170816
1.123643
other
Ga3Ni30P9
42
164
473.63
mp-1222682
-2.923771
1.06613
2.651466
other
Li1B2C2
5
164
45.43
mp-1225730
-5.556521
-1.85782
4.925773
other
Er2Fe4Si9
15
164
214.12
mp-1215546
-7.526616
-6.535861
3.853452
other
Yb2Cd2In2
6
164
160.7
mp-1224369
-3.664134
-0.344125
2.995879
other
Hf1Ta3C4
8
164
97.54
mp-1147766
-5.959123
-6.368902
3.211038
other
Ca1Al2Sn2
5
164
134.56
mp-644225
3.391984
-0.675798
-2.423928
original
Sr2Mg1H6
9
164
108.75
mp-1019562
12.318483
6.424766
0.006809
other
Ca4Si2O8
14
164
186.58
mp-1218335
-4.025246
-5.256451
5.551289
other
Sr1Ca1Si4
6
164
134.81
mp-1221490
-5.964036
-0.220336
3.491735
other
Mo3Ru3C2
8
164
101.76
mp-759286
7.126357
12.652997
-1.108855
other
Na1Ni2O3
6
164
60.52
mp-9566
-5.366109
-6.04822
0.444914
other
Sr1Mg2Sb2
5
164
151.98
mp-1215230
-6.99847
-1.122426
4.641157
other
Zr2Ti2Mn8
12
164
163.32
mp-1069383
-3.256521
-4.059639
0.79331
other
Eu1Zn2P2
5
164
98.86
mp-1246497
1.044622
2.248741
1.786153
other
Li2Ir1N2
5
164
46.39
mp-571210
-0.618533
1.08455
-1.939531
other
Y2Ga2I2
6
164
183.38
mp-7233
10.68614
7.919827
2.830952
other
La2Se1O2
5
164
103.65
mp-1018642
-4.52507
-1.469217
-5.744765
other
Y1Cu2S2
5
164
85.68
mp-643370
3.329398
-0.70939
-2.519098
other
Ba2Mg1H6
9
164
128.49
mp-1246467
0.557641
2.205698
2.123255
other
Ba1Cr2N2
5
164
68.05
mp-1216012
-5.518899
-1.305143
4.057255
other
Y2Th2Re8
12
164
232.9
mp-5589
-4.127771
-3.407243
0.800425
other
Sr1Mn2P2
5
164
91.55
mp-1222427
-5.579941
-1.864198
4.92159
other
Lu2Fe4Si9
15
164
211.92
mp-1216733
-4.975971
-3.472875
0.795955
other
U3As2Se1
6
164
130.77
mp-1227797
-8.55688
-0.261212
4.47017
other
Ce4Hf2Co32
38
164
494.86
mp-1001615
-4.604129
-2.314961
-3.202469
other
Li1Zr1Se2
4
164
80.59
mp-22424
7.004817
7.02562
-3.24348
other
Na4S2O8
14
164
179.11
mp-1246360
1.750125
2.068332
1.011708
other
Ca2Pb1N2
5
164
95.07
mp-1215291
-7.25241
0.098574
4.941954
other
Zr2Ti2Fe8
12
164
165.82
mp-28480
0.621333
0.859546
-4.151945
other
Sc2N1Cl2
5
164
88.81
mp-1172825
1.957307
2.14338
2.039778
other
Zr2Br2N2
6
164
146.88
mp-1207005
-4.472936
-1.323996
-2.923907
other
Li1Ta1Se2
4
164
74.51
mp-1245502
1.508807
2.018209
2.291314
other
Li2Ti1N2
5
164
43.92
mp-774411
12.798775
11.514004
0.339019
other
Li2V1O2
5
164
46.93
mp-998919
-6.175413
-3.534227
-2.336354
other
Tl1Cd1Te2
4
164
126.58
mp-752737
12.001338
-0.512157
1.091772
other
Mn4O2F6
12
164
161.92
mp-1028589
-9.96523
2.592077
-4.482401
other
Te4W4Se4
12
164
401.08
mp-2948
2.893214
2.423297
1.664362
other
Si16N16O8
40
164
352.18
mp-1218966
-5.727368
-3.53765
-2.133267
other
Sn3Te2Se1
6
164
183.29
mp-1216174
-6.488443
2.214906
-5.594189
other
W2Se2S2
6
164
123.01
mp-1245611
0.505217
2.355396
1.966451
other
Sr1Fe2N2
5
164
63.04