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-771986
5.598238
11.60994
-1.92415
other
Li4Fe3O8
15
166
143.11
mp-1225145
-7.473268
-0.319847
5.725616
other
Gd2Al1Fe3
6
166
101.97
mp-19419
7.881134
13.887855
-0.983392
other
Li1Fe1O2
4
166
36.1
mp-16755
-4.117712
-1.31738
-6.043646
other
Mg1Al2S4
7
166
154.93
mp-8001
12.370852
7.899807
0.247988
other
Li1Al1O2
4
166
31.8
mp-1190010
-7.609841
0.819655
5.177613
other
Pr2Al2Fe15
19
166
266.41
mp-665922
8.975965
8.800202
0.311484
other
Sr1Hg1O2
4
166
81.75
mp-15783
-2.741321
-2.646367
-5.653555
other
K1Sm1S2
4
166
108.43
mp-1393788
-5.111028
-0.663418
-4.413103
other
Ca1Fe4S8
13
166
226.47
mp-1096943
7.35749
6.80578
-3.48784
other
Cu1Br1O2
4
166
52.63
mp-777047
9.8613
8.659234
3.206948
other
Li1Tm1O2
4
166
47.97
mp-2997
-3.230004
1.345322
2.796326
other
Th3B6C3
12
166
148.88
mp-1219769
9.241168
10.709229
-3.124012
other
Rb2W3O12
17
166
273.97
mp-20072
9.447111
9.049357
2.482644
other
La1Cu1O2
4
166
72.14
mp-21322
10.777617
11.442537
-2.860562
other
V2Pb3O8
13
166
197.8
mp-1224336
-5.210881
-3.340469
-2.621079
other
Ge2Te1Se1
4
166
98.87
mp-15792
-4.306996
-4.118773
-3.84931
other
Li1Gd1Se2
4
166
94.24
mp-1226747
-4.893697
-5.020089
0.216066
other
Cd1Sn1As2
4
166
94.31
mp-1216799
0.503637
1.382911
2.819884
other
Ti1Nb1N2
4
166
41.28
mp-4383
-7.628631
1.068732
4.774261
other
Nd2Fe17N3
22
166
276.55
mp-20584
-3.404741
-1.874806
-5.377863
other
Rb1Eu1S2
4
166
117.36
mp-1246719
0.515477
2.595139
1.837357
other
Cd1Co2N2
5
166
67.53
mp-1220320
-7.12957
-4.754645
6.494714
other
Nd2Al3Ga1
6
166
129.42
mp-8409
9.637522
8.482351
3.269257
other
K1Y1O2
4
166
64.09
mp-1189359
-8.211092
-0.132857
4.543916
other
Pr2Cr3Co14
19
166
246.44
mp-29585
-4.504875
-5.78354
0.524936
other
K4Cd1As2
7
166
269.6
mp-1225191
-5.446983
-0.89717
-3.916156
other
Fe3Rh3S8
14
166
221.4
mp-999490
-2.623734
-2.663935
-5.708871
other
Na1Dy1S2
4
166
89.86
mp-1178141
9.66807
8.377937
3.120097
other
K1Dy1O2
4
166
63.99
mp-4886
9.714134
8.822457
2.762509
other
Nd1Cu1O2
4
166
68.83
mp-1217133
0.674865
1.55283
2.721116
other
Ti5C1N4
10
166
96.56
mp-1220725
0.896348
2.028793
2.678863
other
Nb2C1N1
4
166
45.36
mp-1218971
2.350725
1.676285
1.935915
other
Sm1Th1N2
4
166
67.14
mp-1101151
9.770539
8.39817
3.257657
other
Na1Ho1O2
4
166
53.89
mp-1225315
-8.158966
-2.70141
5.586834
other
Dy2Al1Co3
6
166
95.7
mp-19069
7.033638
12.139813
-1.18519
other
Ni1Ag1O2
4
166
48.09
mp-754253
8.084687
9.110721
0.500767
other
Eu1Tl1O2
4
166
72.45
mp-1245858
5.548495
2.34706
-2.964636
other
Ru1C1N2
4
166
39.66
mp-1079283
3.125038
-0.603795
-2.066892
other
La1Al1H6
8
166
77.11
mp-756575
8.626205
13.989817
-1.591535
other
Mn3Cr1O8
12
166
142.32
mp-1215700
-3.182641
-3.746239
-3.249248
other
Y1Zr1S2
4
166
78.51
mp-1215267
11.585166
8.589856
2.055521
other
Zr1U4O10
15
166
193.73
mp-1227051
-4.208429
-1.379697
-5.543444
other
Ca1Mn1S2
4
166
80.55
mp-1221796
11.115981
13.308572
-0.133991
other
Mn3Cr3O8
14
166
160.24
mp-18840
6.690945
11.883421
1.44498
other
Ba3Mn3O9
15
166
196.58
mp-1215491
-6.361724
-2.833734
4.96337
other
Zr2Al3Cr1
6
166
103.36
mp-1226756
-4.553413
-2.49131
-4.180157
other
Cd1Hg4Se5
10
166
244.99
mp-1226465
-5.481517
-0.73834
-3.918203
other
Co3Ni3S8
14
166
204.66
mp-753380
9.997255
8.490994
0.252421
other
La1Bi2O4
7
166
130.7
mp-1245745
1.348997
1.880623
2.306069
original
Mg1Ti1N2
4
166
39.18
mp-1218995
-3.306905
-4.042055
-3.091089
other
Sm1Gd1Se2
4
166
100.43
mp-1065609
-5.966009
-3.835366
-1.802607
original
Gd1Tl1Te2
4
166
142.07
mp-1406798
5.870945
11.979573
-1.704316
other
Ca1Fe4O8
13
166
162.37
mp-1216679
-5.219002
-3.905255
0.797259
other
U2Sb1Te1
4
166
118.45
mp-1217696
-7.561503
-0.364717
5.854953
other
Tb2Al1Fe3
6
166
100.55
mp-23336
1.550504
2.757689
-5.905925
other
Cs3Mn3Cl9
15
166
422.32
mp-1226970
-7.801637
-9.104886
6.253516
other
Ce2Mg5Au1
8
166
190.1
mp-1443978
-5.232841
-0.684459
-5.133645
other
Mg1Mn4S8
13
166
250.6
mp-1401384
12.625967
11.776859
1.861525
other
Mg1Ti4O8
13
166
153.74
mp-1394404
-5.176901
-0.628457
-4.397019
other
Mg1Fe4S8
13
166
226.72
mp-1216582
-6.392656
-3.408497
5.339741
other
U2Al3Si1
6
166
109.71
mp-7041
8.988914
8.890464
0.076219
other
Ca1Hg1O2
4
166
69.84
mp-1225058
-7.581995
-0.280265
5.822086
other
Er2Al1Fe3
6
166
101.57
mp-754130
8.329361
14.555916
-1.407199
other
Li1Mn4O8
13
166
145.28
mp-1101250
10.021841
8.938609
0.255392
other
Tl1In1O2
4
166
64.67
mp-1228746
-5.732082
-6.991444
3.764565
other
Ca43Al16Pb13
72
166
2,220.59
mp-555718
9.117498
0.980709
-0.613818
other
Sr1Ni1F6
8
166
96.32
mp-7814
-3.267815
0.277084
0.533307
other
Ta2C1S2
5
166
82.99
mp-34460
-4.214582
-1.282274
-5.330599
other
Ag3Au1S2
6
166
152.23
mp-1097040
10.250401
2.400971
2.116457
other
Li1Co1F2
4
166
39.26
mp-11739
-5.905676
-3.841004
-1.708824
other
K1La1Te2
4
166
157.26
mp-974000
-7.643095
1.006924
4.661426
other
Lu2Fe17C3
22
166
264.1
mp-1221681
-6.002341
-2.97393
-1.842164
other
Mn1Sn1Te2
4
166
98.38
mp-1087504
-3.278868
-4.010923
0.663845
other
K1Zn4P3
8
166
159.46
mp-510717
7.496126
13.427416
-1.486189
other
Ba2Co9O14
25
166
268.8
mp-3637
8.727348
2.053812
2.411977
other
Y2O2F2
6
166
78.56
mp-13505
-9.050711
-1.446148
2.838912
other
Ce1Mg2Ni9
12
166
157.04
mp-30533
-4.322045
-1.341743
-4.307877
other
K2Pt4S6
12
166
279.06
mp-29584
-4.413825
-5.558652
0.538471
other
K4Be1As2
7
166
240.86
mp-1226853
-5.685268
-4.60989
1.059253
other
Ce5Bi1Sb4
10
166
329.03
mp-568991
-2.234164
0.304865
2.399946
other
Hf2Al4C5
11
166
131.43
mp-1072193
8.53024
1.963419
2.394558
other
Er2O2F2
6
166
75.44
mp-11430
-6.300709
-5.370116
5.403589
other
Ca3Al7Ag2
12
166
242.15
mp-1101653
9.743134
8.46504
3.230418
other
Na1Dy1O2
4
166
54.71
mp-753001
7.129826
12.736794
-1.538392
other
Co1Ag1O2
4
166
49.7
mp-1103681
-3.908544
1.644217
2.983466
other
Sm4Co3B6
13
166
183.16
mp-29666
-5.872807
-3.749981
-2.013505
other
Bi2Te2Se1
5
166
171.24
mp-978091
-7.630407
0.993945
4.837265
other
Pr2Fe17C3
22
166
278.33
mp-1188863
6.539431
8.637697
-2.553616
other
Zn5Cl2O9
16
166
242.54
mp-1246187
1.848866
2.419198
1.064518
other
Zn1Cd2N2
5
166
87.57
mp-23056
1.14696
1.979513
-1.039827
other
Sr2Br1N1
4
166
98.44
mp-780415
7.295007
8.865124
0.180238
other
Na1Eu1O2
4
166
59.64
mp-1225048
-7.520892
-4.46793
6.050654
other
Er2Al3Cu1
6
166
113.32
mp-1094130
7.080233
4.765159
-2.005156
other
Li1N1O3
5
166
49.4
mp-756589
8.546704
14.217983
-1.467951
other
Ti2Mn6O16
24
166
282.77
mp-1226869
10.788663
8.632057
2.704916
other
Ce4U1O10
15
166
203.67
mp-1215480
-2.995542
-0.20265
2.746825
other
Zr3Nb1C4
8
166
100.93
mp-20277
7.789452
9.040336
0.334685
other
Rb1Eu1O2
4
166
72.27
mp-569494
-9.063151
-1.401093
2.786761
other
Sm1Mg2Ni9
12
166
157.84
mp-1221881
-9.125653
-4.082135
3.72547
other
Mn2Al1Cu3
6
166
80.3