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-1204441
-7.738501
-5.963087
5.818069
other
Tb22In12Ge8
42
139
1,099.31
mp-1206108
8.070685
0.72404
1.401541
other
Rb3Nd1F6
10
139
271.51
mp-557939
9.921059
10.322042
1.62683
other
La4Ni3O8
15
139
207.86
mp-557610
9.124619
1.018233
1.31238
other
K2Mn1F4
7
139
113.96
mp-20751
-5.260015
-4.000156
5.192507
other
Pu1Cu2Si2
5
139
79.36
mp-6926
-4.786592
-3.419762
0.750108
other
Ca1P2Pd2
5
139
83.5
mp-571367
-6.01355
-1.644998
4.63923
other
Hf1Co2Si2
5
139
65.21
mp-1191368
-3.884415
1.70489
3.03636
other
Nd4Ni4B16
24
139
254.63
mp-974729
-8.067347
-3.970567
5.303635
other
Nd1Al8Cu4
13
139
197.5
mp-569006
-6.349619
-2.584374
1.053309
other
Sr1As2Rh2
5
139
100.05
mp-1025179
11.289396
8.286379
1.436901
other
Rb2Np1O4
7
139
129.53
mp-12059
-5.978727
-1.450424
1.709476
other
Sm1P2Ru2
5
139
80.04
mp-1221225
1.095657
1.754148
-5.161313
other
Na3Br1Cl2
6
139
139.48
mp-1225559
-6.894911
-5.704854
5.403709
other
Eu1Al2Zn2
5
139
97.59
mp-4014
-5.2309
-3.975549
5.464962
other
Pr1Cu2Si2
5
139
82.79
mp-35801
-3.983575
-3.682184
-2.816952
other
U12Ir4Se31
47
139
1,284.82
mp-1206126
-4.977056
-3.404582
0.774187
other
Nd1P2Pd2
5
139
85.52
mp-5699
8.919669
0.501717
0.841162
original
K2Cu1F4
7
139
105.8
mp-21426
-7.392281
-0.822312
5.425328
other
Dy1Fe2Ge2
5
139
82.89
mp-5069
-5.409478
-2.296314
5.782048
other
La1Mn2Si2
5
139
93.9
mp-568703
-6.22409
-3.529224
0.839039
other
Pr1Ni2Sb2
5
139
99.86
mp-569227
-8.484454
-4.463187
2.390063
other
Np1Al2Pd5
8
139
128.2
mp-1078192
-5.423018
-6.351679
1.608853
original
Eu4Sb2O1
7
139
202.31
mp-3557
-8.039213
-4.839333
4.119475
other
Eu1Cu2Ge2
5
139
88.36
mp-37167
-4.052901
-3.61223
-2.819372
other
U12Rh4Se31
47
139
1,284.22
mp-1025237
8.48478
10.478424
1.402281
other
Ba2Ru1O4
7
139
108.5
mp-3264
-7.755841
-3.143852
4.283508
other
Th1Ni2Ge2
5
139
83.69
mp-570236
-5.952034
-1.419114
1.659486
other
Pr1P2Ru2
5
139
86.61
mp-21070
-7.938428
-3.990486
3.306748
other
Nd1Ge2Pt2
5
139
97.98
mp-570217
-5.705665
-2.282035
5.579309
other
Tm1Si2Os2
5
139
82.03
mp-2371187
-3.41068
0.931718
2.645851
other
Cu2B2C1
5
139
65.74
mp-1218463
1.046475
1.541824
-5.101027
other
Sr4La1Cl11
16
139
431.07
mp-1246533
1.425052
2.462773
1.542083
other
Mg2Pd1N2
5
139
59.89
mp-1207022
-5.875805
-1.501137
1.727433
other
K1P2Ru2
5
139
101.11
mp-8335
9.439878
9.348778
3.541919
other
Ba2Zr1O4
7
139
119.77
mp-1078938
-8.475583
-4.519868
2.456249
other
Y1Al2Pd5
8
139
125.82
mp-1226124
7.977895
12.146847
-1.132561
other
Co1Cu2O3
6
139
58.49
mp-11029
-8.054062
-3.963384
5.283383
other
Y1Al8Cu4
13
139
194.43
mp-1101329
10.771852
7.776164
2.852847
other
Tb2Se1O2
5
139
90.7
mp-4656
-7.111313
-0.641788
5.771553
other
Y1Al8Fe4
13
139
189.31
mp-1071468
-7.415351
-6.110565
4.665492
other
Tb2Mg2Sn2
6
139
153.73
mp-9774
-4.619671
-6.338153
1.503116
other
Ba4Sb2O1
7
139
259.76
mp-8250
-5.593405
-1.680797
0.773977
other
La1Ni2P2
5
139
76.97
mp-1178395
8.998818
8.410734
-0.027562
other
Cs4Li4O4
12
139
303.66
mp-4402
-5.505219
-0.755922
1.234018
other
La1Co2P2
5
139
79.54
mp-570680
-8.150746
-2.919289
4.504004
other
Er1Ge2Rh2
5
139
85.8
mp-5610
-6.097095
-2.231902
1.330833
other
Ca1As2Ru2
5
139
91
mp-30909
-8.486952
-4.927528
3.660887
other
Sm1Ga2Pd2
5
139
93.3
mp-1025319
10.069427
9.723857
1.604927
other
Nd2Pd1O4
7
139
101.98
mp-866819
-3.31819
-1.740425
-5.695601
other
Ca2Sn1S4
7
139
176.8
mp-4537
-5.393783
-3.450326
5.438498
other
Ce1Si2Ni2
5
139
76.85
mp-10866
-7.907796
-4.363408
3.228347
other
Np1Ge2Pd2
5
139
93.33
mp-5227
-5.700517
-1.534077
0.868617
other
Dy1Ni2P2
5
139
69.14
mp-1219009
-5.836961
-3.553305
-2.130158
other
Sn4Te5Pb1
10
139
335.05
mp-3406
-5.356198
-3.810627
5.000102
other
U1Si2Pt2
5
139
85.36
mp-568095
-6.024891
-1.399247
1.81629
other
Yb1P2Ru2
5
139
79.54
mp-3412
-5.040652
-4.190574
5.288086
other
Eu1Cu2Si2
5
139
82.42
mp-3489
-5.328649
-2.03214
5.797819
other
Nd1Fe2Si2
5
139
77.89
mp-1227324
10.687757
10.053531
1.30238
other
Ca8Mn4O12
24
139
318.06
mp-570198
-4.848658
-4.987527
0.362437
other
Ba1Zn2As2
5
139
114.92
mp-1226992
-5.529384
-4.439845
0.85895
other
Ce5Sb4As1
10
139
310.6
mp-27207
1.298445
2.375635
-5.807355
other
K2Mg1Cl4
7
139
189.68
mp-22026
-7.696633
-4.47326
3.429584
other
Ce1Ni2Sn2
5
139
102.11
mp-569188
-6.225596
-2.250059
1.405336
other
La1As2Ru2
5
139
95.5
mp-1205765
-5.412661
-5.771664
0.732331
other
Ba2Zn2Sb4
8
139
249.38
mp-1226942
-7.353364
-0.457604
4.615397
other
Ce1Mn8Fe4
13
139
166.2
mp-3804
-5.865295
-1.393731
1.698983
other
Sr1P2Ru2
5
139
92.47
mp-8582
-5.708764
-1.612544
1.266942
other
Eu1P2Rh2
5
139
80.17
mp-1206523
8.993529
0.943843
1.280277
other
Rb2Mn1F4
7
139
123.28
mp-1025364
-6.422038
-3.167012
4.454891
other
Dy1Ti2Ga4
7
139
122.5
mp-3021
-5.331398
-2.276415
-3.394257
other
Tl1Fe2Se2
5
139
105.49
mp-1246581
1.508826
1.940926
1.35541
other
Ca2Pd1N2
5
139
80.81
mp-12082
-5.610046
-2.150706
5.36753
other
Er1Cr2Si2
5
139
85.24
mp-12060
-6.1238
-4.065878
0.667544
other
Nd1As2Pd2
5
139
95.5
mp-1025265
8.63317
0.377673
0.682822
other
Cs2Cu1F4
7
139
131.78
mp-13398
-5.512443
-2.021752
5.644035
other
Yb1Mn2Si2
5
139
79.85
mp-1076936
-4.791893
-4.24312
5.326979
other
Th2Si2Se2
6
139
142.13
mp-1190599
-3.931499
1.693269
3.064692
other
Dy4Ni4B16
24
139
242.07
mp-571098
-5.549562
-1.810516
5.501469
other
Lu1Fe2Si2
5
139
71.76
mp-3587
-5.684612
-3.118591
5.036783
other
Sc1Si2Ni2
5
139
68.71
mp-1207225
9.207035
10.313763
1.940561
other
Gd2Ni1O4
7
139
88.57
mp-12088
-5.755897
-2.285292
5.654274
other
Dy1Si2Os2
5
139
83.27
mp-554144
9.274233
1
1.396131
other
K3Mn2F7
12
139
187.06
mp-19004
5.403095
10.994325
-0.677004
other
Sr8Fe8O23
39
139
455.13
mp-1226760
9.916646
9.049698
3.316213
other
Ce4Zr1O10
15
139
197.2
mp-1178173
11.240844
8.089014
2.966336
other
Ho2Te1O2
5
139
93.82
mp-542986
-5.500765
-1.943338
5.641865
other
Gd1Fe2Si2
5
139
75.32
mp-12056
-6.476391
-1.043838
2.729545
other
Ba1P2Os2
5
139
101.55
mp-568113
-6.361293
-2.58778
1.214927
other
Ba1As2Rh2
5
139
107.71
mp-568501
-6.07127
-6.063886
0.875026
other
Sr2Cd2Bi4
8
139
255.14
mp-1208726
11.9554
10.475892
0.656737
other
Sr3Mo2O7
12
139
172.99
mp-10312
-6.37554
-2.090596
4.162346
other
Hf2V2Ge2
6
139
96.67
mp-1206924
-6.150574
-5.889938
3.718993
other
Ba1Zn2Ge2
5
139
108.62
mp-21089
-7.2036
-1.77063
5.696571
other
Ce1Mn2Ge2
5
139
95.88
mp-1190530
-7.313862
-3.516043
4.577475
other
Ba3Ge16Ir4
23
139
494.06
mp-19735
8.700136
9.650257
2.305738
other
La2Cu1O4
7
139
96.18
mp-568509
-7.791914
0.830308
4.106
other
Er1Co2B2
5
139
56.96
mp-1206005
8.103381
0.735151
1.599697
other
Rb3Ho1F6
10
139
231.23
mp-7880
-4.340241
-4.908181
5.275918
other
Sr1Si2Ag2
5
139
101
mp-1246836
1.522255
1.816198
1.31024
other
Sr2Pd1N2
5
139
96.95