mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
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23.9
z
float64
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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-542327
-8.656077
-0.439171
4.793596
other
Ce5Co19
24
166
336.77
mp-1217379
-2.268529
0.558649
2.378727
other
Th5C4
9
166
189.64
mp-1224869
-7.279306
-6.767472
6.620134
other
Gd2C1
3
166
70.59
mp-1220079
2.668419
-0.329719
-1.424315
other
Ni2H1
3
166
22.93
mp-22327
-6.453804
-4.666237
3.838955
other
Pu4Ga12
16
166
310.08
mp-568945
-8.779078
-0.285909
4.902323
other
Dy3Co9
12
166
174.04
mp-1229012
-8.272201
-5.303726
1.980043
other
Ag1Pd1
2
166
32
mp-1225998
-7.859702
-1.708305
3.059867
other
Co1Pt1
2
166
26.85
mp-542177
-6.39051
-4.242361
4.576229
other
Pu3Al9
12
166
231.2
mp-1219535
-7.481472
-1.479105
3.794046
other
Re1Ir3
4
166
58.66
mp-22883
-0.93764
2.346881
-3.022273
other
Pb1I2
3
166
136.21
mp-568692
-0.487476
1.191554
-4.320879
other
In8Br14
22
166
796.29
mp-1272141
8.186579
14.33187
-1.674254
other
Mn1O2
3
166
48.9
mp-1188750
-8.573269
-2.569961
4.015561
other
Nd4Ir14
18
166
324.5
mp-1431292
5.572619
11.444348
-2.643058
other
Fe1O2
3
166
51.01
mp-1222310
-7.539587
-6.295452
6.476292
other
Lu2C1
3
166
61.74
mp-570872
-8.694255
-0.557037
4.855521
other
Ce3Co9
12
166
173.92
mp-684956
7.105988
9.284666
-1.562228
other
Tl4O6
10
166
193.77
mp-1226089
-7.918726
-2.351269
2.806522
other
Co1Pt3
4
166
59.3
mp-1087554
-4.259772
-4.921518
-3.407985
other
Ce12Se24
36
166
3,072.87
mp-697180
-7.157696
-10.053225
4.794119
other
Mg12In4
16
166
354.11
mp-573608
-1.19341
2.838679
-3.003121
other
Cd4I8
12
166
481.94
mp-1105044
-6.527633
-1.849502
3.371029
other
Nb6Ni7
13
166
179.52
mp-714885
13.08849
11.000292
0.408837
other
V2O2
4
166
42.38
mp-1080313
-4.233063
-4.397167
-3.408959
other
Ce2Se4
6
166
192.21
mp-2764
-9.217957
-1.322924
2.646098
other
La3Ni9
12
166
179.72
mp-1180519
-6.832872
-10.184925
5.020077
other
Mg12In4
16
166
441.62
mp-30709
-9.406101
-5.955561
4.300347
other
La2Zn17
19
166
309.77
mp-1227015
-5.702476
-4.690868
3.386325
other
Ce1Pu4
5
166
124.08
mp-1219522
-7.864466
-1.707098
3.531878
other
Ru1Rh4
5
166
70.92
mp-1219507
-5.742463
-0.993441
3.684063
other
Re1Pt1
2
166
30.44
mp-1080304
-4.279472
-4.973481
-3.406421
other
Ce6Se12
18
166
1,430.55
mp-1106330
-8.782323
-0.35214
4.925417
other
Pr4Co14
18
166
271.96
mp-1201
-5.623404
-3.572891
-2.031655
other
Sb2Te3
5
166
169.92
mp-27505
-7.310017
-1.2667
2.683339
other
Fe6Sn4
10
166
163.88
mp-1216290
-8.469481
-4.019163
2.180517
other
V1Pd3
4
166
59.63
mp-759946
11.776851
8.817174
1.63229
other
Sc16O15
31
166
361.1
mp-1224936
12.127283
11.782951
-0.157481
other
Fe15O16
31
166
344
mp-570400
-5.339058
-6.502106
3.941452
other
Ba7Al10
17
166
526.67
mp-998912
-3.671721
-1.74391
-5.486437
other
Tl2S2
4
166
101.34
mp-1217424
-5.980702
-0.966765
3.920181
other
Tc3Pd1
4
166
59.09
mp-1226765
-6.217834
-6.246445
6.173812
other
Ce4Sm1
5
166
138.34
mp-1219285
-8.047112
-1.479954
2.672915
other
Si1Ni3
4
166
44.36
mp-1217258
-6.334354
-5.885306
5.727541
other
Th1Sc1
2
166
56.96
mp-1219709
-8.293464
-3.617273
2.375865
other
Pt1Au1
2
166
32.72
mp-1216270
-7.793299
-2.313678
2.776214
other
V1Pt3
4
166
60.45
mp-1232560
0.32253
2.138923
2.192472
other
Cr2N2
4
166
35.76
mp-568233
-1.207202
2.838986
-3.007049
other
Cd2I4
6
166
233.33
mp-1105870
-8.788342
-0.33709
4.862663
other
Nd4Co14
18
166
260.82
mp-2700
-3.928158
-5.217925
5.733737
other
Ca1Si2
3
166
67.35
mp-673817
-3.353072
-3.912566
0.538989
other
Rb6P22
28
166
697.17
mp-1215582
-8.874868
-1.366201
2.71445
other
Zn1Ni4
5
166
56.23
mp-540743
-9.346827
-5.940874
4.267746
other
Th2Zn17
19
166
303.39
mp-1095562
-8.792046
-0.349762
4.892465
other
Tb3Co9
12
166
174.33
mp-1226450
-8.090852
-0.942695
3.448802
other
Co3Pt1
4
166
49.77
mp-1222419
-5.876267
-7.044967
3.429401
other
Li4Mg1
5
166
103.99
mp-1219935
-6.261473
-1.267182
3.512753
other
Pd1W1
2
166
31.26
mp-1222922
-6.482013
-6.488438
6.317925
other
La1Ce1
2
166
64.37
mp-569196
-9.303428
-1.40841
2.851522
other
Y3Ni9
12
166
169.48
mp-1106107
-7.768461
1.032217
5.06963
other
Dy2Fe17
19
166
257.71
mp-1215359
-4.411763
-2.074014
-3.064071
other
Zr5Se8
13
166
328.35
mp-569783
-7.780325
0.355019
5.698337
other
Er3Fe9
12
166
184.15
mp-1039529
-6.44661
-10.406018
5.853846
other
Ca2Mg4
6
166
170.5
mp-567456
-5.863167
-5.817115
3.728557
other
Ca1Ge2
3
166
71.82
mp-1219484
-6.209218
-6.789671
2.021349
original
Sb1Pb4
5
166
155.06
mp-573588
-1.191304
2.839775
-3.00358
other
Cd4I8
12
166
486.37
mp-1105621
-8.836167
-0.067565
4.525044
other
Pr2Co17
19
166
247.01
mp-1227959
-4.90161
-7.290006
3.781225
other
Ba1Ca3
4
166
183.57
mp-32584
1.051925
1.729137
2.497414
other
Ti19N25
44
166
487.28
mp-1104237
-6.223593
-1.97735
3.442091
other
Nb7Ni6
13
166
190.13
mp-1219908
-8.159234
-2.900717
2.661687
other
Pd1Pt1
2
166
30.23
mp-25210
5.752265
11.940595
-1.641916
other
Ni1O2
3
166
32.55
mp-1221570
-9.61482
-4.823565
3.44262
other
Mn1Zn3
4
166
57.87
mp-27637
-0.486281
1.339596
-4.49808
other
Ni1Br2
3
166
76.06
mp-1102392
-7.808592
0.258843
5.790328
other
Y3Fe9
12
166
185.94
mp-569595
-0.936738
2.3487
-3.027766
other
Pb2I4
6
166
275.01
mp-1220052
-8.056714
-2.06491
2.777216
other
Ni1Pt1
2
166
26.85
mp-1226864
-6.350688
-6.093524
5.808007
other
Ce3Sc1
4
166
109.88
mp-1272749
6.202291
13.752649
-2.513579
other
Co2O4
6
166
91.88
mp-1225001
7.610857
13.123143
-1.681219
other
Fe5O8
13
166
130.94
mp-1225761
-9.322371
-4.651711
3.37235
other
Cu4Au1
5
166
66.75
mp-1094247
-6.761844
-9.388257
3.397442
other
Mg3Sn3
6
166
143.39
mp-10264
-6.15766
-2.334864
-0.910486
other
Ni2Te2
4
166
86.29
mp-30441
-5.104953
-1.346301
4.733694
other
Be17Nb2
19
166
168.98
mp-1222693
-6.383474
-6.357444
6.343812
other
La1Th1
2
166
67.74
mp-20830
-4.624675
-2.443738
-3.809712
other
In2Se3
5
166
127.61
mp-654
-7.788203
0.973196
5.065928
other
Ce2Fe17
19
166
258.66
mp-1222128
-7.059295
-10.208072
4.78611
other
Mg3In1
4
166
94.78
mp-1039368
-5.844538
-9.461638
5.004417
other
Ca1Mg1
2
166
65.49
mp-571149
-7.753437
1.018871
5.065515
other
Tb2Fe17
19
166
260.49
mp-636105
-7.308687
-1.26376
4.210372
other
Mn13Ga13
26
166
362.9
mp-2544
-5.078673
-1.245311
4.64709
other
Zr2Be17
19
166
179.47
mp-1104372
-5.961013
-2.889925
3.462938
other
Nb6Zn7
13
166
206.47
mp-1226016
-8.238464
-0.455655
3.877243
other
Co4Os1
5
166
59.49
mp-1216527
-6.377933
-6.91866
2.048319
other
Tl1In1
2
166
56.24
mp-1219920
-8.447141
-4.877182
2.066883
other
Pd1Au1
2
166
32.5
mp-1221964
-8.520364
-4.437171
2.077132
other
Mg1Pd3
4
166
62.87
mp-1102684
-9.311572
-1.439384
2.897928
other
Tm3Ni9
12
166
164.1
mp-23174
1.550494
2.634902
-4.470177
other
Re6Cl18
24
166
661.16
mp-1188334
-9.220226
-1.262557
2.761531
other
Yb4Ni14
18
166
243.71