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-1101258
-3.960148
-0.116161
-4.40732
other
Ti3S6
9
164
204.5
mp-665
-4.641617
-2.634006
-3.854698
other
Sn1Se2
3
164
82.91
mp-1069983
-7.400392
-1.814827
4.647618
other
Al3Ru2
5
164
78.54
mp-1206713
-6.113821
-4.149252
6.052255
other
Al2Zn1
3
164
46.36
mp-1018138
-1.264359
2.08435
-2.611629
other
V1I2
3
164
104.47
mp-27943
-0.01133
2.03385
2.119869
other
W6N3
9
164
122.92
mp-1096866
6.718883
8.735184
-2.357088
other
Cd1O2
3
164
43.41
mp-1094870
-7.483801
-8.2833
6.69915
other
Y2Mg2
4
164
113.68
mp-10905
-8.044647
-3.558706
3.375282
other
Al3Pt2
5
164
79.54
mp-685055
-6.284743
-2.567755
-1.820757
other
Cr8Te16
24
164
641.05
mp-1009113
-8.142968
-7.989519
3.31222
other
Ho1Hg2
3
164
83.32
mp-1039056
-7.261201
-7.081985
2.506906
other
Mg2Cd4
6
164
135.63
mp-13060
10.621697
8.613279
3.131257
other
Sc2O3
5
164
56.38
mp-1223728
-8.036556
-5.022142
3.156973
other
In2Pt1
3
164
74.14
mp-1014454
0.309055
2.167608
2.148741
other
Cr3N2
5
164
49.23
mp-1272139
-0.418197
1.194778
-4.403944
other
Sn1Br2
3
164
106.5
mp-29671
-1.060374
1.172402
-1.579626
other
Tm1I2
3
164
110.24
mp-1662
-5.849086
-2.881026
-1.896082
other
Te8Au4
12
164
301.65
mp-1017579
-8.495576
-6.110406
2.25187
other
In2Au3
5
164
106.23
mp-1038975
-7.034267
-7.796175
2.888696
other
Mg2Cd2
4
164
89.46
mp-567402
-1.207668
2.840155
-3.00571
other
Cd6I12
18
164
692.29
mp-8652
8.53272
2.565693
-1.308394
other
S3F18
21
164
262.41
mp-1028698
-7.48249
1.677256
-4.854691
other
W4Se8
12
164
347.19
mp-27922
-1.172244
2.493103
-2.920318
other
Ge3I6
9
164
343.14
mp-1224694
-7.764674
-0.582879
3.162471
other
Fe2Pd1
3
164
40.66
mp-694
-5.151314
-1.252823
-3.315154
other
V1Se2
3
164
64.56
mp-1094355
-4.870356
-7.507812
3.517771
other
Sr4Mg2
6
164
272.41
mp-1207013
-7.693846
-2.395401
3.960655
other
Si2Rh3
5
164
69.08
mp-570418
-1.310218
2.097008
-2.024367
other
Yb1I2
3
164
134.73
mp-6997
-5.636869
-4.074805
-1.476121
other
Sb6Te3
9
164
295.84
mp-13061
10.00997
8.526751
3.242351
other
Y2O3
5
164
67.6
mp-2646
-5.617412
-6.094145
0.605272
other
Mg3Sb2
5
164
131.18
mp-1221487
2.153732
2.945788
-4.448119
other
Mo3Cl18
21
164
558
mp-1206914
-5.98868
-3.279282
-2.094626
other
Zn1Te2
3
164
78.91
mp-1079408
-6.658709
-7.050372
3.37918
other
Li5In4
9
164
172.53
mp-1217264
-5.692188
-4.571615
4.177909
other
Th1Zr2
3
164
77.93
mp-1039083
-6.672916
-6.303826
5.724181
other
Ce2Mg2
4
164
98.33
mp-1057
-7.926686
-2.16319
3.654415
other
Al3Ni2
5
164
67.44
mp-2285
-6.186888
-2.449486
-0.705449
other
Te2Ir1
3
164
74.9
mp-1221567
-7.91373
-2.591711
2.838817
other
Mn1Pt2
3
164
46.22
mp-1228448
12.760866
7.241616
0.907221
other
Al2O3
5
164
59.73
mp-25470
2.103762
2.459749
-4.455802
other
Al1Cl3
4
164
82.26
mp-567336
-1.207449
2.840863
-3.006969
other
Cd4I8
12
164
463.1
mp-1018655
6.083158
2.485788
-3.072561
other
C2N4
6
164
51.67
mp-1009581
-5.296267
-1.615829
-3.780914
other
Cr1Se2
3
164
62.25
mp-569240
-5.767311
-1.719719
-2.841697
other
Fe3Se4
7
164
123.7
mp-1028586
-9.527465
1.988136
-4.058506
other
Te8W4
12
164
431.78
mp-1017565
-4.793838
-2.810628
-3.97138
other
In2Se3
5
164
135.05
mp-1014160
1.112353
1.431909
2.732082
other
Zr2N2
4
164
49.2
mp-28013
-1.050428
2.605523
-3.278356
other
Mn1I2
3
164
107.54
mp-1186
-4.045657
-0.775966
-4.219085
other
Zr1S2
3
164
71.29
mp-567510
-6.25606
-6.692597
2.73073
original
Ba1Sn2
3
164
108.6
mp-13065
10.026712
8.321516
3.274385
other
Ho2O3
5
164
66.09
mp-1023925
-6.109997
2.239093
-5.388204
other
W2S4
6
164
207.7
mp-995122
-4.095566
-0.095607
-3.661366
other
Nb1S2
3
164
62.21
mp-2578
-6.134943
-2.332415
-1.055849
other
Ni1Te2
3
164
69.45
mp-1062935
-8.193727
-8.041132
3.419017
other
La1Hg2
3
164
80.84
mp-1225239
-6.845856
-0.426173
3.656236
other
Fe3Ge2
5
164
68.01
mp-1224793
-8.413713
-3.533307
2.30499
other
Fe1Pd2
3
164
41.49
mp-1207193
-6.098865
-2.905243
-2.052125
other
Cu1Te2
3
164
70.78
mp-849057
-5.725903
-0.913989
-3.756054
other
Fe2S2
4
164
51.38
mp-1207204
8.634743
1.152955
1.897856
other
Lu1F3
4
164
53.05
mp-510753
5.74585
11.907834
-1.655245
other
Ni1O2
3
164
31.33
mp-1221162
-6.568977
-0.800411
4.127388
other
Nb19Fe20
39
164
566.81
mp-985829
-4.038149
-0.741057
-4.296486
other
Hf1S2
3
164
69.47
mp-569581
-6.894697
-4.638008
0.481042
other
Bi6Pt3
9
164
244.62
mp-1062228
6.768288
8.673157
-2.218537
other
Ca1O2
3
164
41.96
mp-30031
-1.177137
2.026156
-1.974128
other
Ca1I2
3
164
128.07
mp-1062824
-7.681525
-7.831979
2.849853
other
Yb1Hg2
3
164
76.21
mp-1218948
-3.448362
-3.961844
0.515345
other
Sn2P2
4
164
101.7
mp-1216564
7.066693
9.359405
-1.572502
other
Tl2O3
5
164
72.81
mp-22787
-6.716245
-0.162869
3.457114
other
Fe4Si2
6
164
63.45
mp-1018150
-5.425992
-2.100486
-1.5341
other
Nb1Te2
3
164
85.7
mp-1064427
-0.135125
0.614332
-2.95191
other
Gd2Br2
4
164
130.26
mp-1224800
-6.24513
-2.43496
-1.191575
other
Fe1Te2
3
164
71.09
mp-1069841
0.176497
2.00453
2.261094
other
V2N3
5
164
43.03
mp-1226378
-5.536212
0.021915
3.155422
other
Cr2C1
3
164
29.05
mp-1225831
1.485589
2.151418
0.989625
other
Cu10N3
13
164
168.46
mp-1008626
-6.100422
-2.099933
-1.672601
original
V1Te2
3
164
80.49
mp-2156
-3.95807
-0.105966
-4.435328
other
Ti3S6
9
164
183.47
mp-21423
11.421771
8.820949
2.654774
other
Pu2O3
5
164
73.18
mp-567483
-1.208155
2.843201
-3.006048
other
Cd6I12
18
164
682
mp-1690
-3.996009
-0.071125
-3.676435
other
Ta1S2
3
164
61.13
mp-2763
9.745079
8.394533
3.135554
other
Nd2O3
5
164
77.17
mp-1001117
0.201682
2.397115
2.128365
other
Mn3N2
5
164
47.44
mp-9561
-4.773224
0.348057
-4.62042
other
V1S2
3
164
54.93
mp-27902
-4.604663
-3.133935
-3.645844
other
Bi6Se6
12
164
373.75
mp-1204207
-5.678624
-2.359512
3.441977
other
Nb30Ge21
51
164
869.86
mp-1940
2.134967
1.831029
1.847722
other
Th2N3
5
164
81.61
mp-617
7.944949
10.713473
-0.747941
other
Pt1O2
3
164
35.46
mp-1094480
-7.528548
-10.865487
4.905751
other
Mg4Zn2
6
164
121.18
mp-2063
9.739834
8.496702
3.15722
other
Pr2O3
5
164
79.38
mp-1226350
-6.39747
-2.682314
-1.781841
other
Cr3Te5
8
164
204.31
mp-567534
-1.207529
2.840848
-3.006797
other
Cd8I16
24
164
926.07
mp-1069815
-8.120267
-4.544394
3.065829
other
In3Pt2
5
164
100.96
mp-13146
1.702871
1.696152
1.345963
other
Ca3N2
5
164
89.2
mp-29950
1.286937
2.120572
-3.805863
other
Nb6Cl16
22
164
511.48
mp-1024087
-4.040592
-0.776113
-4.220671
other
Zr63S128
191
164
4,728.1
mp-1297
-8.087101
-5.193283
1.942926
other
Tl9Pd13
22
164
407.71
mp-1027525
-5.226682
1.46803
-4.358152
other
Mo4S8
12
164
302.66