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-9565
-5.406086
-5.985801
0.41663
other
Ca1Mg2Sb2
5
164
142.57
mp-1101661
6.750735
13.733352
-1.515653
other
Na1Co1O2
4
164
43.21
mp-7704
-4.091742
-5.063198
5.973535
other
Ca1Al2Si2
5
164
105.23
mp-1029385
2.234023
2.278143
1.254554
other
Li2Sn1N2
5
164
49.92
mp-1225501
-7.458382
-0.161611
5.73355
other
Dy6Al6Fe12
24
164
390.15
mp-1223868
-8.173608
-6.431217
5.065856
other
Ho2Cd2In2
6
164
148.84
mp-1245930
0.437022
2.363257
1.985726
other
Ba1Fe2N2
5
164
65.51
mp-8150
-5.427023
-5.911041
0.674088
other
Ba1Cd2Sb2
5
164
164.93
mp-675589
-3.860014
-4.244079
0.781912
original
Li4Cu2P2
8
164
103.2
mp-1247552
1.735174
2.166545
1.726078
other
Na2Ti1N2
5
164
75.39
mp-23005
-5.975221
-3.665743
-1.974798
other
Bi4Te7Pb1
12
164
431.43
mp-1206998
-4.393527
-4.71469
6.093378
other
La1Al2Si2
5
164
108.78
mp-1068977
-0.338482
0.66637
-0.360295
other
K2Pd1C2
5
164
119.29
mp-1079481
0.340771
1.839224
-4.059826
other
Al2S2Br6
10
164
379.94
mp-1224966
-5.590891
-1.619486
-3.227181
other
Fe1Co1Se2
4
164
58.15
mp-1246758
0.519285
2.804572
1.769556
other
Fe2Cu1N2
5
164
52.9
mp-1217624
-6.052694
-3.483684
-1.814279
other
Tb8Cu8Te16
32
164
913.5
mp-1087492
-4.062973
-5.279932
5.362837
other
Li4Zn2Si2
8
164
123.52
mp-1226284
-6.390617
-2.939404
0.702477
other
Cr1Ni3Sb4
8
164
146.03
mp-21409
-3.993406
-1.272074
-5.924378
other
Zn2In4S8
14
164
354.74
mp-9514
-1.946316
0.250199
2.505409
other
Mg1Al2C2
5
164
57.98
mp-1226240
-5.755223
-0.962005
-4.075523
other
Cr1Fe1S2
4
164
49.93
mp-1246805
2.360735
2.194513
1.381894
other
Sn2Se1N2
5
164
82.09
mp-1225563
-8.012424
-4.577555
4.721159
other
Er2Cu2Ge2
6
164
116.65
mp-1226708
-7.572481
-6.067896
3.710152
other
Ce2Ag2Sn2
6
164
147.45
mp-1018650
8.24584
1.376828
1.701706
other
Ba2Cl1F3
6
164
131.4
mp-1028761
-9.18005
2.874828
-4.834342
other
Te4W4S4
12
164
384.63
mp-1210056
-8.031335
-4.999982
3.660339
other
Tb9In36Pt12
57
164
1,352.37
mp-1221907
-6.309954
-2.617907
-1.596639
other
Mn3Cr1Te4
8
164
185.68
mp-4823
-0.559356
0.348139
-0.303649
other
Na2Pd1C2
5
164
93.15
mp-1227074
-7.837172
-6.198621
4.721347
other
Ce2Cd2In2
6
164
165.65
mp-19308
9.197079
12.748719
-0.110114
other
Li4Ni2O4
10
164
82.5
mp-8192
8.349543
1.047757
0.218869
other
Rb2Pt1F6
9
164
144.89
mp-1246586
1.77208
1.902264
1.270619
other
Ca2Mg1N2
5
164
91.96
mp-1220454
-7.214952
0.341575
4.421146
other
Nb2Al2Fe8
12
164
154.16
mp-22716
-4.481982
-4.07646
0.859811
other
Li2Cu4P2
8
164
104.99
mp-1217999
-6.235163
-1.197384
4.4783
other
Ta2Cr8Si2
12
164
156.83
mp-9581
-3.835187
-3.94753
0.682082
other
Th1Cu2P2
5
164
90.3
mp-8322
-5.598964
-3.952178
0.532277
other
Mn2Zn1As2
5
164
87.1
mp-1206825
10.924632
7.985287
2.901556
other
Lu2Se1O2
5
164
79.49
mp-1225471
-7.888175
-6.967658
3.859853
other
Dy2Ag2Pb2
6
164
160.99
mp-1207938
7.82901
7.597404
-4.486484
other
V2Zn3O11
16
164
223.92
mp-9251
-6.121887
-2.841219
-1.33329
other
Tl2Te6Pt4
12
164
333.29
mp-1206595
-4.790764
-1.852353
-3.328361
other
Li1Ti1Se2
4
164
75.16
mp-2226731
-4.849259
0.221798
-4.759457
other
Mg1V2S4
7
164
119.86
mp-1221950
11.753057
12.15928
0.07792
other
Mg2Mn4O6
12
164
123.37
mp-3556
10.895443
8.085492
2.918294
other
Tm2S1O2
5
164
77.55
mp-2225337
-5.18739
1.286093
-4.388847
other
Mg1Mo2S4
7
164
152.74
mp-579560
-0.497796
1.200764
-4.674003
other
Cs3Sb2Br9
14
164
540.79
mp-1030106
-9.415543
1.996423
-3.852882
other
Te8Mo2W2
12
164
440.1
mp-644292
3.369339
-0.715457
-2.459146
other
Eu2Mg1H6
9
164
117.04
mp-1247340
0.077357
2.660222
2.000194
other
Mn1Fe2N2
5
164
45.66
mp-1206049
8.476017
0.99885
0.993671
other
Rb2Sn1F6
9
164
150.75
mp-541368
11.11061
11.832197
-2.930974
other
Tl4V2O7
13
164
237.51
mp-754827
11.38359
8.490827
2.755212
other
Tm2Te1O2
5
164
90.07
mp-570597
-1.031443
1.067858
-1.70526
other
La2Ge1I2
5
164
207.54
mp-1224401
-7.200684
0.132583
4.802562
other
Hf2Ti2Fe8
12
164
162.95
mp-1070483
-5.829255
-5.466605
4.715785
other
Sr1Al2Ge2
5
164
115.65
mp-1247441
0.460182
2.101195
2.230517
other
Zr1Co2N2
5
164
52.17
mp-775787
1.859404
1.806013
2.749606
other
Hf16N16O8
40
164
563.23
mp-1216963
-5.74884
-2.21129
1.451053
other
Ti1Cr1As2
4
164
68.12
mp-1206419
-4.411057
-4.694643
6.182102
other
Er1Al2Si2
5
164
99.29
mp-5795
2.184939
2.059259
1.573312
other
Ca1Mg2N2
5
164
65.63
mp-1247418
1.134282
2.37987
1.873983
other
Li2Mn1N2
5
164
43.01
mp-8219
-3.887157
-3.650114
0.975059
other
Zr1Cu2P2
5
164
76.83
mp-1221589
-6.304273
-2.338336
-1.226741
other
Mn1V1Te2
4
164
76.94
mp-1080149
-4.43068
-1.658683
-5.482706
other
Yb1Cu2S2
5
164
84.16
mp-8281
-4.826898
-5.24496
0.501445
other
Ba1Cd2As2
5
164
139.7
mp-1245567
0.171282
2.520212
1.96933
other
Fe1Co2N2
5
164
44.56
mp-27683
-3.730345
-1.523609
-5.765746
other
Li1Sn1S2
4
164
80.22
mp-1215657
-9.3149
-4.738548
3.741601
other
Zn9Ga3Mo2
14
164
221.64
mp-1048678
-3.482187
-1.211454
-4.919494
other
Ca7Ti8S16
31
164
598.61
mp-1219761
-5.085216
-1.75212
-2.986826
other
Pt3Rh2Se10
15
164
314.2
mp-558755
11.453948
11.013955
-3.148215
other
Tl4Mo2O8
14
164
275.04
mp-1223790
0.779506
1.935289
-5.312091
other
K3Br1Cl2
6
164
196.38
mp-1224140
-5.531496
-1.841264
4.918123
other
Ho2Fe4Si9
15
164
215.01
mp-1221404
-5.836257
1.788038
-4.61445
other
Mo2Se2S2
6
164
124.76
mp-1225954
-8.042876
-6.847129
4.605165
other
Dy2Tl2Cu2
6
164
147.27
mp-766093
8.569227
12.479286
-0.909704
other
Ti4Ni15O24
43
164
430.91
mp-10933
-2.670625
-2.692275
-5.533218
other
Nd2Te1S2
5
164
145.57
mp-4366
-0.836778
0.230352
-0.521757
other
Na2Pt1C2
5
164
93.99
mp-36254
-3.614398
-0.913598
-4.795429
other
Cs2Ta1S6
9
164
270.24
mp-1041194
-3.40408
-1.536593
-4.935381
other
Ca1Ti1S2
4
164
75.27
mp-1029330
1.729861
1.737643
2.580037
other
Hf2Se1N2
5
164
74.31
mp-5321
-7.391087
-4.903311
3.154165
other
Ho7Co6Sn23
36
164
793.16
mp-1225605
-7.913915
-6.872372
3.841347
other
Er2Ag2Pb2
6
164
156.8
mp-29535
-1.064495
0.246562
-1.061213
other
Ce2Si2I2
6
164
185.69
mp-8132
-4.828138
-1.576879
-3.217002
other
Li1Ti3Se6
10
164
249.07
mp-570988
-0.370538
0.330159
-2.768937
other
La2P1Br2
5
164
161.08
mp-2225312
-5.1899
1.270594
-4.396089
other
Mg1Mo2S4
7
164
145.02
mp-1224955
-6.36552
-2.143225
-0.458692
other
Fe1Co1Te2
4
164
69.72
mp-1227655
-8.541731
-0.168255
4.424238
other
Ce4V2Co32
38
164
488.26
mp-13947
8.357573
1.101181
1.431265
other
Rb2Hf1F6
9
164
152.15
mp-1226797
10.055531
9.206086
3.475764
other
Ce2Zr1O6
9
164
115.85
mp-7101
-6.414627
-4.904716
5.141183
other
Ce1Al2Ge2
5
164
109.65
mp-9400
-4.684966
-4.434027
6.047098
other
Ce2Al2Si4
8
164
162.36
mp-1215789
-7.378376
-6.906612
3.015712
other
Yb2Ag2Pb2
6
164
165.6
mp-1206638
-7.903531
-4.610991
2.621286
other
Ni1Sn2Au1
4
164
78.24
mp-27487
2.170955
1.98207
1.622811
other
Li2Th1N2
5
164
64.84
mp-21474
-4.111613
-3.414677
0.821589
other
Eu1Mn2P2
5
164
91.53