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-22893
-0.940238
2.349626
-3.017338
other
Pb1I2
3
164
133.72
mp-1206375
3.257162
-0.694027
-2.335925
other
Dy1H3
4
164
54.62
mp-571122
-1.012421
2.741918
-3.048301
other
Fe1I2
3
164
99.4
mp-22877
1.801977
2.378626
-4.729607
other
V1Cl2
3
164
69.85
mp-1213750
-6.419443
-2.636005
-1.7829
other
Cr5Te8
13
164
336.9
mp-1226072
-8.002059
-0.146059
3.325507
other
Co4H1
5
164
44.41
mp-1008625
-5.004977
-0.038296
3.150979
other
W2C1
3
164
38.19
mp-1221498
-5.140728
0.02832
3.105177
other
Mo2C1
3
164
37.52
mp-1220660
-7.257105
-0.701636
3.928861
other
Nb6Co18
24
164
300.14
mp-23224
-5.872829
-3.844337
-1.860148
other
Bi6Te6
12
164
430.95
mp-1223062
-8.192866
-6.930234
2.846844
other
La2Ag10
12
164
258.04
mp-1009641
-6.222276
-2.268382
-1.032552
other
Co1Te2
3
164
68.8
mp-7655
-3.981385
-5.387936
5.334793
other
Ba1Si2
3
164
77.29
mp-31473
-7.067711
-7.522871
1.760036
other
K2Hg7
9
164
266.43
mp-13068
10.123851
8.438218
3.263337
other
Lu2O3
5
164
61.56
mp-971787
-0.783549
0.807397
-3.969911
other
V1Br2
3
164
81.19
mp-1028441
-6.098577
2.242913
-5.398208
other
W4S8
12
164
308.7
mp-1023939
-5.215043
1.462363
-4.346219
other
Mo2S4
6
164
190.32
mp-28116
1.156318
1.754874
-4.018626
other
Ti1Cl2
3
164
73.53
mp-753890
2.657661
-0.347235
-1.448941
other
Ni2H1
3
164
22.94
mp-10901
-8.294376
-4.334008
3.385926
original
Al3Pd2
5
164
79.47
mp-30761
-6.438112
-7.013006
3.101926
other
Li7Pb2
9
164
163.62
mp-1180789
-3.882024
-6.96588
1.789853
other
K3Rh1
4
164
183.05
mp-1205930
-6.384619
-6.936206
3.927468
other
Li5Ga4
9
164
132.48
mp-11324
-4.682585
-1.003111
-2.907226
other
Ta1Se2
3
164
70.41
mp-21400
-8.016032
-3.994457
3.166266
other
Ga3Pt2
5
164
81.84
mp-569610
-0.962328
2.27343
-3.525436
other
Co1I2
3
164
87.02
mp-1215401
-9.664866
-4.51875
3.735319
other
Zn1Cu2
3
164
36.39
mp-30033
-0.707403
1.232955
-4.596218
other
Co1Br2
3
164
77.82
mp-7540
-4.869795
-3.826939
0.60439
other
Cu6P2
8
164
99.56
mp-7088
-4.607395
-0.689438
3.180645
other
Ta2C1
3
164
41.5
mp-1224692
-7.725497
-0.06717
3.426564
other
Fe2Pt1
3
164
37.25
mp-1214190
-4.899978
-3.404176
-3.443848
other
Bi8Se4
12
164
379.81
mp-1245668
-5.357682
-4.13565
0.486829
other
Cu2As3
5
164
86.82
mp-1215
12.246985
9.29073
2.453149
other
Ti2O1
3
164
36.44
mp-399
-6.170467
-2.553317
-1.25259
other
Te2Pt1
3
164
77.7
mp-29803
-3.658258
-5.072742
5.630789
other
Si2H2
4
164
74.17
mp-22880
-0.516351
1.300137
-4.564608
other
Fe1Br2
3
164
79.34
mp-821313
5.356679
11.13518
-2.50587
other
Fe1O2
3
164
37.42
mp-570259
1.389538
2.224551
-5.297654
other
Mg1Cl2
3
164
68.52
mp-1009651
-7.329615
-7.765881
2.288204
other
Ca1Hg2
3
164
90.85
mp-696114
1.556245
2.33586
-5.209306
other
Co1Cl2
3
164
64.82
mp-228
-6.108287
-2.319444
-0.957564
other
Te2Rh1
3
164
74.02
mp-10886
-8.510568
-4.140563
4.76014
other
Al3Cu2
5
164
72.4
mp-1220726
0.550089
1.264066
2.810052
other
Nb2N1
3
164
41.93
mp-995193
-4.052913
-4.835511
5.702409
other
Si6H2
8
164
148.74
mp-1221473
-5.120146
0.0074
3.104991
other
Mo3C2
5
164
59.05
mp-1229093
-7.900706
-7.287069
1.863472
other
Ag2Hg1
3
164
57.41
mp-1096986
7.922479
0.879845
-4.308763
other
H2C2
4
164
26.98
mp-1222013
-5.611845
-5.402501
5.375579
other
Mg1Al2
3
164
53.7
mp-30769
-6.523094
-6.870317
2.930335
other
Li13Sn5
18
164
320.2
mp-985831
-4.618458
-1.940245
-3.195748
other
Hf1Se2
3
164
78.74
mp-1094559
-6.930985
-11.030012
5.466966
other
Li2Mg4
6
164
130.87
mp-8134
11.05732
9.424238
1.678455
other
U1O3
4
164
52.18
mp-1206728
-8.124652
-8.191822
3.378346
other
Tb1Hg2
3
164
74.19
mp-755263
-5.499006
-0.03545
-5.511878
other
Cr1S2
3
164
53.15
mp-1065933
-0.879931
1.001268
-1.773622
other
Y2I2
4
164
150.16
mp-1907
-5.691902
-2.387721
-1.480568
other
Ti1Te2
3
164
85.09
mp-1206683
-3.443701
-1.808713
-5.274156
other
Pb1S2
3
164
79.33
mp-1391
8.16705
1.399091
-0.496828
other
Ag2F1
3
164
44.48
mp-1207843
-4.750295
0.055201
-4.169147
other
V7S8
15
164
213.43
mp-571096
1.372059
2.429588
-5.228873
other
Fe1Cl2
3
164
66.48
mp-567567
-1.206865
2.841371
-3.009129
other
Cd9I18
27
164
1,049.16
mp-1009080
-7.864672
-6.826096
4.410444
other
Ho1Cd2
3
164
82.83
mp-1094623
-6.970423
-10.541299
5.161576
other
Mg4Ga2
6
164
126.2
mp-2654
-4.100734
-1.271364
-6.159396
other
Al12S18
30
169
637.31
mp-612740
-4.778409
-2.870705
-3.937051
other
In12Se18
30
169
895.38
mp-685049
8.181858
2.342634
-1.110207
other
I4F28
32
17
446.78
mp-568889
-4.557179
-2.592283
-4.18803
other
Ag8Se4
12
17
267.28
mp-1101191
10.47518
2.619109
1.085901
other
V6F20
26
17
362.14
mp-672673
-4.674553
-2.493412
-3.86339
other
In12Se18
30
170
1,247.02
mp-1221583
-7.641938
-1.367446
3.752387
other
Mn1Ir1
2
166
25.77
mp-1387852
-5.416167
-0.520862
-4.139153
other
Co1S2
3
166
63.35
mp-12283
-6.454974
-7.229117
3.085021
other
Li5Tl2
7
166
128.59
mp-1105910
-9.293796
-5.740273
4.013521
other
Pu2Zn17
19
166
298.53
mp-1073456
-2.446542
-5.518492
7.087985
other
Mg2Si4
6
166
115.62
mp-1189379
-9.32029
-1.394125
2.883277
other
Tb4Ni14
18
166
252.45
mp-1223675
-8.151686
-2.248724
3.347295
other
Ir1Pd1
2
166
29.7
mp-1188478
-9.268299
-1.47852
2.818329
other
Sm4Ni14
18
166
259.8
mp-1103015
-7.821715
0.374371
5.716215
other
Tm3Fe9
12
166
177.71
mp-23306
-1.257319
2.440966
-3.335943
other
Cu2I2
4
166
115.42
mp-1224802
-8.52544
-4.498432
2.51835
other
Ga1Pd1
2
166
31.01
mp-1225742
-8.6596
-5.550601
2.2242
other
Cu1Au4
5
166
85.12
mp-1183615
-5.223055
-5.752184
4.343072
other
Ca1Np1
2
166
62.37
mp-1194918
-6.627637
-5.0909
0.284516
other
Bi36Ir9
45
166
1,500.74
mp-1220039
-7.916253
-2.543131
2.651561
other
Os1Pt4
5
166
77.05
mp-1224976
-8.236267
-0.006075
3.368858
other
Fe1Ni1
2
166
22.65
mp-540884
0.733131
0.911826
-3.416189
other
Y2Cl2
4
166
114.11
mp-369
-6.95557
-4.365235
6.469313
other
Tb3Al9
12
166
232.94
mp-1226026
-8.126797
-1.130952
3.565273
other
Co1Rh1
2
166
26.04
mp-1102078
-9.29246
-1.424986
2.919553
other
Dy3Ni9
12
166
172.18
mp-1225044
-7.474564
-6.180381
6.057242
other
Er2C1
3
166
65.46
mp-1101819
-7.79688
0.341097
5.759919
original
Dy3Fe9
12
166
187.07
mp-1095559
-9.202051
-1.291812
2.779721
other
Yb3Ni9
12
166
164.63
mp-1095601
-8.663463
-0.320049
4.835436
other
Yb3Co9
12
166
172.1
mp-1228120
-5.648263
-4.134178
5.929298
other
Al4Si1
5
166
79.66
mp-696746
-3.151767
1.782802
2.720517
other
B12C3
15
166
110.65
mp-576
-3.183867
1.734315
2.719878
other
B13C2
15
166
111.34
mp-754434
1.614978
1.707912
2.586127
other
Hf3N4
7
166
84.67
mp-1419175
10.148839
9.811667
-0.79461
other
Sb1O2
3
166
46.76