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-981988
-6.238473
-8.284256
5.818386
other
Y1Mg16Al12
29
160
590.48
mp-1203560
-7.765127
-6.140712
6.260915
other
La30Cd4Rh10
44
160
1,334.11
mp-1219057
-7.788089
0.254785
5.793871
other
Sm3Y3Fe18
24
160
377.84
mp-1219075
-5.929317
-3.821749
-1.710268
other
Sm1Bi1Te3
5
160
182.61
mp-1215625
-5.795581
-1.521308
3.750152
other
Zr3Ge1Mo8
12
160
216.01
mp-2210632
-4.862098
-1.40647
-5.893824
other
Mg1Cu2S2
5
160
88.54
mp-531793
12.522333
7.545652
0.555448
other
Mg8Al16O32
56
160
543.73
mp-1094006
-4.161832
-1.31242
-5.998512
other
Zn1Ga2S4
7
160
149.79
mp-1185680
-6.090738
-8.347394
5.633879
other
Mg16Al12Ni1
29
160
568.59
mp-1096807
7.438021
7.838161
-3.379711
other
Al1O3F3
7
160
109.29
mp-530742
6.823429
13.436581
-1.74819
other
Zn8Co16O32
56
160
593.94
mp-756371
8.463061
14.924799
-0.970738
other
Li2Mn4O8
14
160
146.43
mp-504928
-6.163619
-2.860197
-2.38473
other
Na1Cu3Te2
6
160
127.17
mp-1226246
-5.2995
-0.674076
-5.770222
other
Cr1Cu1S2
4
160
75.16
mp-1101415
9.958344
8.549015
3.108514
other
Sm4Th3O12
19
160
303.73
mp-27368
-6.400287
-6.867904
2.754528
other
Na1Li5Sn4
10
160
225.63
mp-1216565
-9.710377
-4.860058
4.214719
other
Tm1Be1Cu4
6
160
79.03
mp-1220336
-8.522878
0.227863
4.572015
other
Nd2Fe4Co13
19
160
251.24
mp-1215502
-4.872719
-1.300834
-6.196942
other
Zn3Fe1S4
8
160
160.06
mp-2210664
-3.89319
-0.745069
-4.98614
other
Mg1Ti1S2
4
160
66.6
mp-1219878
-8.26297
-0.167528
4.568064
other
Pr2Mn4Co13
19
160
258.98
mp-550474
8.912801
3.563392
-7.926007
other
Li4C1O4
9
160
91.28
mp-559694
-5.27383
1.15555
-4.277003
other
Ga1Mo4S8
13
160
237.28
mp-1040786
12.84014
10.19905
0.271138
other
Zn2W4O8
14
160
185.2
mp-1224417
-5.896595
-3.593126
-1.968161
other
Ge2Bi2Te5
9
160
308.61
mp-989601
0.819031
2.645316
1.838595
other
La1W1N3
5
160
66.3
mp-767157
-3.962275
-0.130059
-4.513963
other
Ti16Cu1S32
49
160
963.89
mp-1224436
-5.776458
-1.570703
3.806965
other
Hf3Al1Mo8
12
160
214.2
mp-1215513
-5.976235
-3.277568
-2.73595
other
Zn2Te1Se1
4
160
106.4
mp-1185678
-6.020307
-8.378294
5.676951
other
Mg16Al12Pb1
29
160
597.08
mp-1182024
6.002986
2.856149
-3.201249
other
Cd1C1N2
4
160
46.91
mp-1227366
-4.765864
-1.563293
-6.59535
other
Be1Zn3S4
8
160
149.89
mp-1221807
-6.472977
-1.090796
4.09935
other
Mn3Al2V3
8
160
104.41
mp-1185704
-5.919973
-8.41753
5.677548
other
Mg16Al12S1
29
160
583.06
mp-1226715
-4.903511
-1.0246
-5.422668
other
Cd1Fe1S2
4
160
90.85
mp-1222134
-4.805616
-3.572712
-4.14958
other
Mg4Se3S1
8
160
208.41
mp-1223998
-4.671176
-2.951329
-3.616939
other
In1Bi3Se6
10
160
292.2
mp-1226646
-6.659592
-3.543773
5.433835
other
Ce1U3Al8
12
160
236.21
mp-1068320
8.587105
5.205587
-5.703068
other
Cs1S1O3
5
160
119.75
mp-1178561
6.484119
5.861584
-3.513173
other
Ag1Cl1O3
5
160
76.84
mp-1220026
-8.802815
-0.075396
4.470248
other
Pr1Er1Co17
19
160
244.43
mp-1215858
-5.794789
-4.969757
0.881602
other
Yb2Ni1Sb2
5
160
133.08
mp-1219218
-7.705821
0.988156
5.059792
other
Sm2V1Fe16
19
160
259.8
mp-1219949
-7.679179
0.920664
5.15362
other
Pr2Al1Fe16
19
160
265.12
mp-1215560
-7.317457
-4.350665
3.767726
other
Zr3Nb1Zn8
12
160
198.71
mp-16318
-3.843981
-0.916582
-4.989645
other
Rb1Ti1S2
4
160
89
mp-1220060
-7.374995
-1.091767
4.954454
other
Pr3Tm3Mn23
29
160
457.25
mp-1228359
-5.255149
-6.823463
3.652074
other
Ba5Al3Cu2
10
160
353.17
mp-530196
8.929699
14.624537
-1.046192
other
Mn16Cu8O32
56
160
576.09
mp-570182
0.310458
0.654063
-2.852452
other
Ca3Si1Br2
6
160
176.91
mp-1048875
8.845023
14.789996
-0.646874
other
Mn4Zn2O8
14
160
159.17
mp-1215266
-8.058859
-1.749856
2.783066
other
Zr1Ti2Ni9
12
160
147.18
mp-1219993
-8.915776
-1.593959
2.832247
other
Pr1Mg3Ni8
12
160
168.51
mp-1215515
-4.863793
-1.375367
-6.284924
other
Zn4Fe1S5
10
160
200.78
mp-1210808
5.981763
0.676228
-3.195075
other
Li2B5H5
12
160
151.67
mp-1206759
-3.868747
-1.174261
-4.846338
other
Li1Zr1S2
4
160
72.82
mp-6920
6.2855
4.952838
-4.458347
other
K1N1O3
5
160
74.62
mp-531773
2.078134
2.248808
1.530247
other
Li28Mg22N25
75
160
781.9
mp-552729
7.565758
6.601703
-2.787529
other
K1I1O3
5
160
87.36
mp-1223652
-6.057085
-3.569261
-2.220965
other
In1Hg1Te2
4
160
159.98
mp-1212511
-5.723714
-3.462132
-2.08752
other
Ge3Sb2Te6
11
160
340.08
mp-1217502
-7.691707
0.058032
5.8039
other
Tb1Ho3Fe8
12
160
188.38
mp-1223791
-4.76108
-4.917846
0.091081
other
In1Ga1As2
4
160
106.87
mp-1219201
-8.779609
-0.149675
4.499054
other
Sm2Co16Ag1
19
160
252.67
mp-1221132
-7.378752
-1.034794
4.995588
other
Pr3Gd3Mn23
29
160
460.34
mp-1223075
-6.909672
-4.43977
6.155397
other
La3U1Al8
12
160
261.26
mp-1215450
-4.706229
-4.713099
0.058062
other
Zn1Ge1As2
4
160
94.56
mp-1227335
-5.918827
-3.64951
-2.009633
other
Bi2Te2S1
5
160
162.29
mp-1063927
-3.456963
-0.535786
-4.542831
other
Ti1S2N1
4
160
88.44
mp-1217391
-6.423096
-2.110101
4.254807
other
Ti13Al9Co8
30
160
422.34
mp-1221678
-4.383475
-1.421112
-5.691837
other
Mn1Cd4S5
10
160
254.42
mp-1048912
6.227205
12.581238
-1.385693
other
Zn2Ni4O8
14
160
144.72
mp-1224459
-7.753269
-1.192336
4.315112
other
Hf3Ta1Co8
12
160
160.26
mp-570708
-5.227536
-1.811548
-3.954725
other
Cr1Ag1Se2
4
160
84.84
mp-1215453
-4.631838
-4.999441
0.255404
other
Zn1Si1As2
4
160
90.44
mp-1096787
-4.349538
-1.327861
-6.016266
other
Al2Zn2S5
9
160
180.38
mp-1100946
10.693002
9.698861
3.802734
other
Y6Zr22O53
81
160
1,004.21
mp-754850
-3.816407
-0.612858
-4.991787
other
Na1Ti1S2
4
160
72.57
mp-554141
12.135526
6.737109
0.319667
other
Ca9Si3O15
27
160
384.36
mp-1383146
12.778579
10.135142
0.327951
other
Ca2W4O8
14
160
210.23
mp-1225772
-5.895613
-3.60411
-0.914352
other
Cu3Pd13S7
23
160
363.99
mp-1215660
-5.942827
-3.45793
-2.421077
other
Zn1Hg4Te5
10
160
356.59
mp-1220600
-7.481723
-0.684571
3.708038
other
Nb3V3Co18
24
160
278.48
mp-1216578
-5.911893
-3.776888
-1.756102
other
Tm1Bi1Te3
5
160
177.71
mp-1223841
-5.900503
-3.526634
-2.050007
other
In2Te1As1
4
160
144.99
mp-1227887
-9.247235
-1.277418
2.783773
other
Ca3Mg1Ni14
18
160
257.6
mp-530636
8.266595
13.356769
-1.039157
other
Zn8Fe16O32
56
160
623.5
mp-28873
6.879118
6.108905
-3.14
other
Cs1Br1O3
5
160
99.78
mp-1245591
2.174246
2.159074
1.449714
other
K1Ge1N1
3
160
52.34
mp-1215652
-5.146859
-2.849848
-4.223415
other
Zn4Cd1Se5
10
160
249.55
mp-1220213
-7.737909
1.013043
5.065349
other
Nd1Er1Fe17
19
160
259.96
mp-1048946
6.954185
13.438807
-1.512612
other
Ca2Co4O8
14
160
171.2
mp-998234
8.183983
0.695034
0.938998
other
Cs1Tl1F3
5
160
109.36
mp-757299
7.005323
13.4456
-2.004602
other
Co21Cu3O32
56
160
540.25
mp-1217576
-5.967809
-3.80008
-1.716852
other
Tb1Bi1Te3
5
160
178.01
mp-754803
5.989559
12.427788
-1.583454
other
Li2Fe4O8
14
160
148.56
mp-1223837
-4.355677
-4.739282
0.246167
other
In2As1P1
4
160
108.39
mp-1226741
-6.032646
-3.490439
-2.363946
other
Cd1Hg1Te2
4
160
141.84
mp-542644
-4.150424
-1.390138
-5.969985
other
Zn2In2S5
9
160
208.25
mp-753792
9.579084
8.743567
3.17568
other
Ce5Sm2O13
20
160
287.97