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-27544
-0.49574
1.278393
-4.699607
other
Cs3Bi2Br9
14
164
553.13
mp-548598
10.560397
9.641963
0.908563
other
U1Bi2O6
9
164
124.25
mp-1246454
0.771529
2.527639
1.975138
other
Cr2S1N2
5
164
56.43
mp-6953
-4.320832
-3.151615
0.881095
other
Ca1Mn2P2
5
164
84.57
mp-8191
8.313203
0.859039
0.347201
other
Cs2Pt1F6
9
164
167.22
mp-1224830
-5.822801
-3.303214
-2.119208
other
Ga2Ge2Te4
8
164
266.54
mp-1221364
-6.283813
-2.276099
-1.065434
other
Mn1Ni1Te2
4
164
80.74
mp-29209
-5.780496
-6.259211
0.739914
other
Ba1Mg2Bi2
5
164
173.14
mp-4764
10.569652
7.885712
2.702752
other
Pr2Se1O2
5
164
100.38
mp-1208387
-7.433631
-4.915008
3.120656
other
Tb7Co6Sn23
36
164
801.95
mp-8277
-3.448208
-4.400246
0.848294
other
Sr1Cd2P2
5
164
120.34
mp-643047
3.246386
-0.807542
-2.320405
other
Ba3H12Ir2
17
164
233.95
mp-1215929
-6.658026
-4.619912
6.070086
other
Y2Mg2Al8
12
164
235.26
mp-1147656
-5.172459
-5.759388
0.64007
other
Ca1Al2Sb2
5
164
129.88
mp-1045019
13.047198
12.729183
-0.68262
other
Al4V12O24
40
164
450.18
mp-1217994
-3.889814
-0.253968
-3.696381
other
Ta2Zn1S4
7
164
125.54
mp-1091363
8.834475
1.829924
1.117744
other
K2Tc1F6
9
164
131.75
mp-1097028
-4.264371
-3.960462
-3.888355
other
Gd1Ag1Se2
4
164
97.78
mp-1017630
-4.879365
-5.067245
0.156974
other
Mg2Zn1As2
5
164
105.13
mp-1030709
-8.922231
2.653903
-3.996181
other
Te4Mo4Se4
12
164
400.61
mp-1245404
0.68448
2.473334
1.980637
other
Cr2Se1N2
5
164
60.07
mp-1219107
-8.181664
-6.571396
5.128197
other
Sm2Cd2In2
6
164
156.78
mp-572797
8.323144
0.883329
0.414889
other
Cs2Ir1F6
9
164
167.27
mp-1219016
-4.475009
-3.040333
-4.064649
other
Sn2Pb1Se3
6
164
168.29
mp-7708
-3.904525
-1.674445
-5.610923
other
Tl1Cd1S2
4
164
93.71
mp-1227461
-8.474834
-0.200456
4.436185
other
Ce4Ti2Co32
38
164
490.75
mp-706269
12.583975
10.023062
2.060994
other
Mg1Nb5O9
15
164
187.7
mp-754868
11.39115
12.102648
0.272001
other
Li8Fe4O8
20
164
185.03
mp-504554
9.952347
10.717859
3.43101
other
Ba5Ta4O15
24
164
348.6
mp-1211475
-6.612934
-2.355708
6.38724
other
La4Al51W7
62
164
1,115.63
mp-3970
8.73052
1.201936
1.179219
other
K2Ti1F6
9
164
128.48
mp-1217394
-5.540979
-1.299562
4.261362
other
Th2U2Re8
12
164
228.16
mp-1103290
5.327451
-0.461595
-2.911085
other
Mg1B2H8
11
164
85.01
mp-5381
1.688435
1.61269
2.278129
other
U2P1N2
5
164
82.44
mp-1224005
-5.897906
-3.608439
-2.27653
other
In3Sb1Te2
6
164
182.66
mp-1222508
-4.65989
-1.506232
-5.771307
other
Lu2Cu6S6
14
164
249.34
mp-1226009
-6.434781
-1.954141
1.02093
other
Co1Ni1As2
4
164
56.52
mp-1245477
0.374768
2.458033
1.964351
other
Mn2Ni1N2
5
164
47.08
mp-1018761
-5.523513
-5.420037
0.720498
other
Li3Ce1Sb2
6
164
136.73
mp-1236294
11.81675
9.01518
2.012729
other
Li1Ce2O3
6
164
84.49
mp-8407
-3.60713
-4.098099
0.909429
other
Li3La1P2
6
164
106.54
mp-1216678
-5.512846
-1.216611
2.274698
other
Ti1Mo1P2
4
164
59.27
mp-1018634
-4.439215
-1.543332
-5.762393
other
Lu1Cu2S2
5
164
81.22
mp-1226013
-5.571474
-1.595868
-3.224735
other
Co1Ni1Se2
4
164
59.82
mp-1217475
-5.517567
-1.292821
4.075097
other
Tb2Th2Re8
12
164
233.8
mp-7903
8.281628
0.967248
1.480243
other
Cs2Zr1F6
9
164
175.31
mp-1026916
-5.812155
1.749966
-4.596258
other
Mo4Se4S4
12
164
324.84
mp-1210058
-6.3504
-1.242787
1.084291
other
Ni30Sb3P9
42
164
490.08
mp-2217389
-3.956823
-0.258074
-4.576099
other
Mg1Ti3S6
10
164
222.66
mp-1292002
10.75827
4.603117
-4.178461
other
Co4H8O8
20
164
169.83
mp-1206602
-6.230306
-5.164537
5.153694
other
Tm1Al2Ge2
5
164
100.61
mp-8152
-5.161865
-4.573438
0.673459
other
Li2Ce1As2
5
164
107.48
mp-1211238
-1.021577
1.014144
-1.606432
other
La2Sb1I2
5
164
204.09
mp-1017567
1.787801
1.751258
2.539159
other
Hf2S1N2
5
164
70.61
mp-974482
10.201994
9.899861
3.851068
other
K4Hf5O12
21
164
297.24
mp-1221754
-5.559838
-1.497815
-3.407539
other
Mn1Co1Se2
4
164
58.8
mp-1101094
1.298844
2.375742
-5.940366
other
Cs2Ce1Cl6
9
164
299.07
mp-6931
-4.071183
-5.17566
5.892532
other
Sr1Al2Si2
5
164
113.13
mp-8276
-3.272171
-4.155967
0.789312
other
Sr1Zn2P2
5
164
102.37
mp-1224427
-7.005495
-0.085204
4.624646
other
Hf2Ta2Fe8
12
164
162.89
mp-30243
15.970103
8.212932
3.596372
other
Mg6H4O8
18
164
152.71
mp-1206452
-0.227591
0.522063
-2.991716
other
Gd2Ge1Br2
5
164
153.34
mp-1025350
-4.225795
-0.336136
-3.780509
other
Nb2Co1S4
7
164
125.24
mp-1220045
-5.914512
-0.347671
3.543305
other
Os3W3C2
8
164
104.57
mp-13069
-6.354597
-5.016456
5.112356
other
Er1Al2Ge2
5
164
101.37
mp-1208228
-5.728613
-2.682492
4.190198
other
Ti3Nb1Al2
6
164
99.52
mp-3216
1.841727
1.965423
2.039582
other
Li2Zr1N2
5
164
50.57
mp-29624
-4.853646
-3.249337
-4.037951
other
Mg2Al2Se5
9
164
213.78
mp-4836
-5.787523
-4.875111
0.728788
other
Yb1Mn2Sb2
5
164
130.29
mp-1206156
7.944318
2.216256
-1.153436
other
Pb1N2F6
9
164
137.19
mp-8651
-4.357109
-4.767226
6.064068
other
Gd1Al2Si2
5
164
101.26
mp-1207067
8.077635
2.524648
-1.33592
other
S1N2F6
9
164
146.03
mp-3972
11.105509
7.944772
2.856942
other
Ce2S1O2
5
164
94.27
mp-1245879
0.075022
2.428002
2.101521
other
Mn2Fe1N2
5
164
46.97
mp-8406
-5.212504
-4.77896
0.566801
other
Li3Nd1As2
6
164
110.8
mp-8405
-5.510288
-5.564489
0.727837
other
Li3La1Sb2
6
164
139.23
mp-644229
3.368953
-0.712141
-2.156609
other
Sr1Al2H2
5
164
84.04
mp-1219724
-8.152114
-6.514679
5.041117
other
Pr2Cd2In2
6
164
164.6
mp-1028604
-9.249214
2.874468
-4.803396
other
Te4W4S4
12
164
375.2
mp-1221940
-5.572071
-1.636358
-3.50873
other
Mn2Fe1Se3
6
164
92.2
mp-1221348
-5.648742
-1.535473
-3.297172
other
Mn1Ni1Se2
4
164
61.07
mp-652550
-5.144384
-4.419112
6.057025
other
Er90Si54C18
162
164
3,484.35
mp-553875
1.777031
1.740449
2.65836
other
Zr2S1N2
5
164
73.06
mp-1245625
2.112394
2.119691
1.541815
other
Mg1Zn2N2
5
164
54.47
mp-1216773
-8.590178
-0.510842
2.489215
other
Zr8Ni61B18
87
164
907.72
mp-1210585
-5.542078
-5.728306
0.478146
other
Mg1Zn2Sb2
5
164
117.62
mp-1206548
-4.222298
-0.32053
-3.915965
other
Nb2Ni1S4
7
164
137.43
mp-1222408
-7.985232
-5.693297
3.505923
other
Lu2Cu2Sn2
6
164
133.56
mp-5745
-2.867116
0.404602
-0.133744
other
Nb2C1S2
5
164
87.45
mp-19088
11.874507
10.976465
0.582156
other
Ba5V5O14
24
164
368.35
mp-1192831
-4.871879
-1.633795
-3.144507
other
Ti8Fe4Se16
28
164
543.51
mp-1217903
-4.465795
-0.04174
2.993204
other
Ta1Mo2C3
6
164
64.66
mp-1211706
8.542212
6.862506
-3.712502
other
K3Se2O8
13
164
290.06
mp-10581
-6.419375
-5.084398
5.330084
other
Nd1Al2Ge2
5
164
108.33
mp-568694
-0.321136
0.793993
-3.92581
other
Na6U3Br18
27
164
886.8
mp-756137
13.040769
10.993078
2.207792
other
Li3Nb6O11
20
164
240.36
mp-1216903
-4.999779
-0.541777
-4.771094
other
Ti1Cr1S2
4
164
60.76
mp-1207012
-6.286787
-5.167902
5.196539
other
Ho1Al2Ge2
5
164
102.01
mp-8483
9.940493
4.634862
-6.10034
other
K4S2O6
12
164
224.54
mp-2365577
-5.445592
-0.839178
-4.572176
other
Li2Ni2S4
8
164
117.64