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-1246964
5.079268
2.343299
-3.170663
other
Pt1C1N2
4
166
46.21
mp-1229019
-3.708949
-1.440221
-5.232727
original
Ag1Sb1S2
4
166
86.42
mp-10442
-5.470854
-4.199732
0.57874
other
Eu1Cu4As2
7
166
113.66
mp-1190849
-8.521968
0.022499
4.014284
other
Sm2Co17N3
22
166
255.84
mp-510696
-5.784572
-6.334692
1.387897
other
Cs4Sn2Au7
13
166
411.81
mp-1044218
12.997759
10.92022
-0.355367
other
Ca1Mo4O8
13
166
198.37
mp-1054609
-3.378705
-1.607149
-5.640368
other
Ca3Sn3S9
15
166
387.99
mp-757070
-1.17664
1.896329
-1.727322
other
Ba1Ca1I4
6
166
265
mp-756552
5.861021
12.603728
-1.535882
other
Mg1Ni4O8
13
166
139.31
mp-8608
-5.485391
-4.340595
0.597215
other
K1Cu4As2
7
166
124.72
mp-754992
10.072348
8.604824
2.785929
other
Lu1Tl1O2
4
166
65.36
mp-2240720
7.072712
9.532207
-1.638575
other
Mg1Ag4O6
11
166
179.05
mp-1404017
-5.388696
-0.08194
-5.662725
other
Zn1Cr4S8
13
166
236.52
mp-1246842
0.877111
2.634144
1.780427
other
Mn1Cd2N2
5
166
70.97
mp-4326
-2.676009
-2.668436
-5.704898
other
K1Er1S2
4
166
100.96
mp-1215219
-3.393757
-0.177097
2.848491
other
Zr1Ta1C2
4
166
48.02
mp-1215389
-2.581822
0.054813
2.811229
other
Zr4C3N1
8
166
102.84
mp-556943
9.168348
0.328449
0.704612
other
Cs3Co3F9
15
166
247.28
mp-1219663
-2.778532
-0.232656
2.674992
other
Pu1Zr4C5
10
166
135.7
mp-755389
9.756996
8.739742
2.053559
other
Ca1Eu1O2
4
166
61.32
mp-1174157
6.078913
20.898155
-0.391667
other
Li6Mn4O10
20
166
191.6
mp-1224394
1.100226
1.29965
2.678535
other
Hf1U1N2
4
166
52.02
mp-570487
-5.62422
-6.183084
3.979737
other
Ca20Al12Ge18
50
166
1,190.84
mp-1218389
-3.624484
-2.424364
-4.923709
other
Sr4Se3S1
8
166
240.69
mp-16763
-5.876525
-3.795701
-1.815614
other
K1Y1Te2
4
166
142.93
mp-7480
9.73169
8.521775
3.006052
other
Rb1Lu1O2
4
166
63.94
mp-758809
7.708581
14.115298
-1.328657
other
Li5Mn6O16
27
166
285.42
mp-569178
-4.295553
-3.979274
-3.89244
other
Ho1Tl1Se2
4
166
115.25
mp-1224274
-3.217851
-0.105359
2.803634
other
Hf1Ti1C2
4
166
45.58
mp-19210
7.174809
13.455823
-1.670306
other
Co4Pt4O8
16
166
164.17
mp-1101377
12.010315
5.975579
-0.086395
other
Sc1H1O2
4
166
41.02
mp-1190514
-7.820378
0.759281
4.854635
other
Sm2Fe17H3
22
166
262.07
mp-1217103
-3.538599
-0.009813
2.881889
other
Ti4C3N1
8
166
80.01
mp-510625
11.03586
13.305381
-0.27375
other
Cr2Cu2O4
8
166
87.49
mp-21312
-8.723251
-0.182344
2.409124
other
Ca1Ni12B6
19
166
188.8
mp-1218952
-3.365544
-1.904539
-5.715002
other
Sn1Pb1S2
4
166
104.34
mp-1222697
-2.8868
-3.720392
-3.562004
other
La1Sm1S2
4
166
96.11
mp-1077980
-6.237648
-5.826281
1.028259
other
Sr1Ag4Sb2
7
166
164.98
mp-28772
2.164143
2.765836
-4.425455
other
Sb2S2Cl18
22
166
606.78
mp-27837
9.111953
1.639794
-0.47309
other
Na1H1F2
4
166
45.61
mp-756159
7.0165
13.197535
-1.131571
other
Li3Ni5O8
16
166
141.51
mp-569677
0.937079
2.090356
-1.737274
other
Sr2I1N1
4
166
108.64
mp-771644
7.584455
12.289269
-0.847668
other
Li3Cu5O8
16
166
143.85
mp-1225798
-0.058141
1.66765
-4.622241
other
Cu2Br1Cl1
4
166
72.13
mp-1029375
4.473407
1.860201
-2.368195
other
Ba1C1N2
4
166
83.04
mp-1215444
-3.913079
-4.200674
-3.707921
other
Yb1Pr1Se2
4
166
105.98
mp-9926
8.55602
1.456378
-0.407427
other
Sr1Rh1F6
8
166
104.26
mp-1218978
-2.993626
-3.826379
-3.316315
other
Sm1Tm1S2
4
166
84.91
mp-608823
-4.830235
-0.912503
-5.292392
other
Ga2Fe2S5
9
166
171.79
mp-559918
-4.195631
-0.265119
-4.755208
other
Ti8Cu4S16
28
166
490.47
mp-27438
-6.013408
-3.742365
-2.08751
other
Tl1Bi1Te2
4
166
142.96
mp-1100884
-4.708137
-1.019314
-5.248601
other
Y6Mn11S20
37
166
766.94
mp-1215708
-5.648572
-4.040825
1.146126
other
Y1U1Sb2
4
166
122.18
mp-1077950
-5.845123
-3.514759
-1.262376
other
Tl2Pd3S2
7
166
141.79
mp-759883
7.905958
2.582162
1.025169
other
Bi2O2F2
6
166
91.58
mp-1222701
-2.945013
-3.805295
-3.494116
other
La1Tm1S2
4
166
90.02
mp-613910
9.217134
0.909551
-0.514848
other
Ba1Ni1F6
8
166
107.75
mp-752854
6.887081
13.148264
-2.258342
other
Co3Sb1O8
12
166
141.56
mp-1222339
-8.288578
-1.979098
5.383423
other
Lu2Al1Co3
6
166
89.43
mp-1191788
-8.622755
0.009885
4.112448
other
Sm2Co17H3
22
166
250.14
mp-1217687
-7.353023
-2.300716
6.29164
other
Tb2Al3Fe1
6
166
115.15
mp-1104122
-4.067571
1.569719
2.998591
other
La4Co3B6
13
166
190.6
mp-1223922
-5.397367
-3.279141
-2.984586
other
Hg2Te1Se1
4
166
106.79
mp-996967
7.409511
9.707442
-1.181252
other
Tl1Cu1O2
4
166
64.01
mp-1224333
2.635945
-0.260258
-1.714966
other
Hf2H1C1
4
166
48.58
mp-1100799
2.065021
1.875088
2.159245
other
Zr3Sc4N8
15
166
191.47
mp-1104597
-3.844451
1.614071
3.005038
other
Y4Co3B6
13
166
180.91
mp-755464
11.234196
8.463279
2.743817
other
Ce2Br2O2
6
166
139.96
mp-4483
-4.439006
-2.396997
-3.569718
other
Ag1As1Se2
4
166
87.76
mp-1072208
8.698796
2.03806
2.478
other
Dy2O2F2
6
166
78.16
mp-1080457
2.031671
2.906064
-0.027776
other
K2Sn1N6
9
166
185.1
mp-1395253
-4.701371
0.147743
-4.845816
other
Ca1V4S8
13
166
253.58
mp-1202101
-5.321812
0.315082
3.553582
other
Ce8Re13B12
33
166
478.06
mp-1410408
-5.422126
-0.571122
-4.237826
other
Ca1Co4S8
13
166
230.56
mp-510281
8.192933
13.389065
-1.221248
other
Fe1Cu1O2
4
166
40.44
mp-31166
-2.792821
-2.531801
-5.723364
other
Dy1Tl1S2
4
166
104.49
mp-1215456
-3.975191
-4.25092
-3.521752
other
Yb1Er1Se2
4
166
96.66
mp-1077883
-7.364843
-2.668097
1.577487
other
In2Rh3S2
7
166
124.99
mp-1186878
11.366917
10.966415
-3.90391
other
Ta2Mo2O11
15
166
236.7
mp-2695851
9.019713
8.768369
-0.982192
other
Cd1Hg1O2
4
166
69.73
mp-754542
-4.990023
-0.026591
-5.171825
other
Li1V1S2
4
166
63.63
mp-1096789
-4.185626
-1.419511
-6.014947
other
Al2Zn2S5
9
166
176.36
mp-1078223
-6.416798
-5.821421
1.102042
other
Eu1Ag4Sb2
7
166
159.84
mp-1387459
-3.918464
-0.160402
-4.527973
other
Ti4Zn1S8
13
166
244.25
mp-1222119
-8.198907
-4.569188
4.988603
other
Mg6Al6Cu6
18
166
296.49
mp-1215512
-2.819227
-2.883475
-5.187261
other
Yb4Sm1S5
10
166
226.12
mp-1398091
12.707861
9.885341
0.597308
other
Y2W4O8
14
166
203.11
mp-1216047
-3.08231
-3.900661
-4.006405
other
Y2As1S1
4
166
91.69
mp-755426
11.81162
8.797928
1.723383
other
Nd1Sm1O2
4
166
63.1
mp-12360
-5.85089
-3.43733
-2.141223
other
Ag1Sb1Te2
4
166
115.38
mp-1226488
10.178788
9.333924
3.655721
other
Ce1Zr1O4
6
166
74.95
mp-1177246
11.409184
13.774169
-1.331405
other
Li4V3O8
15
166
152.01
mp-1217822
-4.068507
-0.180478
2.956024
other
Ta1V1C2
4
166
40.85
mp-1220714
-2.629115
-2.661907
-5.579274
other
Na1La1S2
4
166
101.91
mp-28865
2.054643
2.81625
-4.348631
other
Os1S2Cl12
15
166
529.25
mp-1223850
0.975314
1.534552
2.62488
other
Hf2C1N1
4
166
47.89
mp-997051
7.719913
10.904874
-0.914534
other
Pd1Au1O2
4
166
54.25
mp-10969
4.871839
2.072973
-2.697488
other
Cd1C1N2
4
166
53.24
mp-859783
14.916267
12.396213
-0.823372
other
V2O2F2
6
166
74.02
mp-1222795
2.311192
1.691724
1.919641
other
La1Nd1N2
4
166
71.44