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-977379
-9.068525
-5.772048
6.421921
other
Ho2Ni1Ir1
4
225
76.17
mp-1183567
-6.928759
-9.688193
6.129694
other
Ca1Pm1Mg2
4
225
120.28
mp-978547
-8.032599
-6.58373
5.803405
original
Sm1Lu1In2
4
225
104.98
mp-979965
-8.278763
-4.401282
3.702059
other
Yb1Sm1Pt2
4
225
86.03
mp-862424
-8.103028
-4.426108
5.052618
other
Sc2Tc1Ni1
4
225
64.71
mp-865251
-5.901519
-1.594878
4.412162
other
Tm1Th1Tc2
4
225
82.71
mp-631333
-6.507112
-1.291657
3.993785
other
Li1Pd1W2
4
225
59.94
mp-1113993
1.364568
2.559342
-5.799773
other
Rb3Tl1Cl6
10
225
373.35
mp-864997
-7.437516
-4.37009
2.99495
other
Li1Si1Pd2
4
225
51.55
mp-867916
-8.297546
-2.646002
4.074113
other
Sc1Ga1Ir2
4
225
60.27
mp-1186962
-8.344257
-5.125255
4.578207
other
Sc2Zn1Pd1
4
225
73.05
mp-863674
-8.273377
-7.993478
3.514675
other
Er1Mg1Hg2
4
225
88.32
mp-1187691
-7.642582
-6.620337
4.368703
other
Yb1Ce1Cd2
4
225
114.63
mp-1185335
-5.920131
-7.312186
3.635338
other
Li1Eu2Tl1
4
225
124.64
mp-983566
-6.23912
-6.794331
3.602577
other
Ca2Ag1Ge1
4
225
96.57
mp-1183894
-6.219427
-6.970922
3.512507
other
Eu2Mg1Sn1
4
225
123.95
mp-865660
-7.910236
-5.353942
3.333517
other
Yb2Ag1Pt1
4
225
88.22
mp-580092
-7.775931
-1.926102
2.909315
other
Hf6Ni16Ge7
29
225
379.5
mp-30374
-8.941795
-6.373321
2.894843
other
Dy1In1Au2
4
225
83.35
mp-977439
-7.183328
-6.215024
4.714895
other
Ce2Zn1Pb1
4
225
111.01
mp-865809
-5.942269
-1.239384
3.953424
other
Ti1Tc2Sb1
4
225
62.59
mp-1184136
-7.937379
-8.863528
6.996599
original
Dy1Y1Mg2
4
225
110.34
mp-865665
-5.899938
-1.186885
4.108061
other
Ti1Re1Tc2
4
225
58.7
mp-569093
-6.655863
-3.716814
3.838903
other
U6Si22Pt46
74
225
1,266.76
mp-1184428
-8.649812
-6.263044
6.571695
other
Gd2Cu1Os1
4
225
82.04
mp-976595
-7.866779
-6.51187
5.943312
other
Li1Lu2In1
4
225
97.37
mp-1205725
8.029613
0.680395
1.524
other
Rb3Pr1F6
10
225
246.66
mp-984704
-7.660532
-7.844711
2.264992
other
Ca1Ag1Hg2
4
225
90.85
mp-974744
-8.842787
-6.549105
4.505206
other
Nd1Zn2Ag1
4
225
80.41
mp-1184642
-8.741938
-6.383907
5.527236
other
Ho2Zn1Cu1
4
225
83.9
mp-866299
-6.870178
-2.107233
4.332238
other
Er1Ta1Os2
4
225
68.82
mp-1205844
8.134809
0.802866
1.673952
other
K3Tm1F6
10
225
201.73
mp-862695
-7.497368
-1.577322
4.457054
other
Al2Co1Ru1
4
225
49.29
mp-1187098
-5.813461
-7.185415
3.262314
original
Sr2Zn1Pb1
4
225
132.79
mp-866226
-8.078535
-4.527458
3.707954
other
Ca1Tm1Pt2
4
225
82.92
mp-1220180
-3.5523
1.816393
3.002306
other
Nd1Eu1B12
14
225
141.9
mp-984769
-6.289699
-7.399305
3.001868
other
Ca1Tl2Cd1
4
225
110.53
mp-1187402
-9.010179
-4.687821
4.531166
other
Th1Al1Cu2
4
225
73.43
mp-975880
-7.891756
-8.425316
6.866017
original
Pr1Sm1Mg2
4
225
116.96
mp-864799
-7.994105
-8.957821
6.918617
other
Ho1Lu1Mg2
4
225
104.82
mp-1206092
1.226546
2.521439
-6.116381
other
Cs3Dy1Cl6
10
225
417.98
mp-866171
-8.981903
-6.240421
2.934802
other
Y1Mg1Au2
4
225
81.84
mp-1183067
-7.15581
-7.842372
5.006159
other
Ac2Zn1Hg1
4
225
125.82
mp-862365
-8.431513
-4.551486
4.997192
other
Sc2Os1Pd1
4
225
68.14
mp-1206369
-8.430163
-5.069626
2.653443
other
Sc1Pd2Pb1
4
225
73.37
mp-1209091
8.29502
1.017315
1.904659
other
Rb2Tb6F20
28
225
392.57
mp-8224
8.452476
1.309549
0.857865
other
Ca1Sn1F6
8
225
150.19
mp-977543
-8.414949
-2.948477
4.026592
other
Zr1In1Rh2
4
225
67.89
mp-865217
-8.436665
-4.419391
4.844981
other
Yb1Th1Rh2
4
225
83.76
mp-864895
-6.262464
-1.396775
3.748106
other
Be2Ni1Rh1
4
225
38.59
mp-1203532
-5.962493
-3.179481
-2.655484
other
K8Ag36Te22
66
225
1,719.89
mp-1186441
-7.414121
-6.903828
6.395146
other
Pm2Al1Zn1
4
225
100.04
mp-1184616
-8.470677
-6.284666
6.762026
other
Ho2Mg1Os1
4
225
87.28
mp-1184288
-6.632029
-6.937927
3.940225
other
Eu2Zn1Cd1
4
225
113.06
mp-973456
-9.061613
-6.096556
6.173893
other
Lu2Tc1Au1
4
225
81.02
mp-1193806
-6.674832
-4.418511
0.694245
other
Er6Sb8Pd16
30
225
582.43
mp-976142
-7.53106
-7.382915
5.515463
other
Pr1Dy1Tl2
4
225
113.81
mp-976289
-7.981599
-6.733138
2.471317
other
Na1Cd2Au1
4
225
84.04
mp-862362
-8.10618
-4.357641
4.87111
other
Sc2Tc1Pt1
4
225
68.06
mp-983551
-7.472555
-7.350943
5.480102
other
Ce1Pm1Tl2
4
225
117.15
mp-22372
-6.384405
-0.960094
1.487358
other
Mn6Ni16P7
29
225
330.15
mp-864753
-6.102438
-7.087476
4.180722
other
Li1Yb2Ga1
4
225
102.01
mp-865848
-8.458156
-7.040071
3.432773
other
Lu1In1Ag2
4
225
80.59
mp-631412
-7.349927
-1.699239
3.911338
other
Nb1Ru2Cl1
4
225
63.53
mp-972623
-8.947522
-6.65186
2.533545
other
Sm1Hg1Au2
4
225
87.05
mp-867978
-8.568375
-2.991984
3.883259
other
Sm1In1Rh2
4
225
74.49
mp-862555
-7.36037
-6.380989
6.459304
other
Li1Y2Al1
4
225
97.74
mp-567981
-7.253274
-0.829176
3.335488
other
Cr1Ga1Co2
4
225
46.92
mp-1078203
8.161315
0.800152
0.942399
other
Cs2Tl2F6
10
225
218.43
mp-1185441
-7.844652
-6.66847
6.56703
other
Li1Sm2Ga1
4
225
99.16
mp-23383
-0.590498
1.274971
-4.378727
other
Rb2Te1Br6
9
225
319.47
mp-865746
-5.823166
-0.735498
3.942137
other
Ga1Tc2W1
4
225
58.47
mp-979967
-7.286829
-6.832134
3.78817
other
Yb2Ga1Hg1
4
225
99.92
mp-1111697
-0.212832
1.061537
-4.270775
other
Na3Y1Br6
10
225
358.33
mp-1185456
-9.049972
-6.119844
4.530175
other
Lu2Pd1Au1
4
225
82.28
mp-1187770
-7.671491
-7.181301
5.641206
other
Y2Tl1In1
4
225
107.41
mp-867217
-7.929663
-8.058407
3.860253
other
Ca1Pr1Hg2
4
225
109.91
mp-865871
-8.131482
-6.694147
2.724948
other
Li2Zn1Au1
4
225
56.12
mp-1184081
-9.112052
-5.912544
6.404532
original
Er2Ru1Au1
4
225
81.48
mp-1183601
-8.529461
-5.155284
5.614637
other
Ca1Gd1Rh2
4
225
79.68
mp-1183409
-6.988769
-1.464283
3.418953
other
Be1As1Ru2
4
225
49.91
mp-1185399
-7.38014
-6.966793
5.59112
other
Li1Pm2Sn1
4
225
108.15
mp-1187977
-6.701626
-2.538419
4.502845
other
Zr2Fe1Os1
4
225
67.23
mp-1184630
-8.762813
-6.4141
6.703027
other
Ho2In1Os1
4
225
89.49
mp-1186652
-8.833174
-5.698133
6.214735
other
Pm1Sm1Rh2
4
225
85.06
mp-1187333
-8.297324
-7.692945
4.540708
other
Tb1Er1Hg2
4
225
99.94
mp-1110875
1.19349
2.235786
-5.808859
other
K3Y1Cl6
10
225
353.64
mp-1194170
-9.336619
-4.579727
4.45935
other
Dy6Al7Cu16
29
225
465.16
mp-865581
-6.864808
-7.261803
4.724174
other
Li2Dy1Tl1
4
225
77.84
mp-30395
-8.942142
-6.211374
2.911704
other
Sc1In1Au2
4
225
76.76
mp-862760
-8.385864
-7.062085
3.467812
other
Pr1Cd1Ag2
4
225
90.48
mp-865032
-7.702244
-2.015562
3.154941
other
Mn2Pt1Rh1
4
225
57.91
mp-1184166
-8.202683
-4.074107
3.391917
other
Er1In1Pt2
4
225
75.88
mp-867169
-6.232183
-7.114314
3.057253
other
Sr2Sn1Hg1
4
225
131.01
mp-1183531
-6.04732
-7.180236
3.597989
other
Ca2Tl1In1
4
225
114.55
mp-973759
-7.887875
-6.718254
6.217009
other
Lu2Mg1Cd1
4
225
98.8
mp-1187604
-9.222126
-4.805583
4.407971
other
Tm1Ga1Cu2
4
225
64.34
mp-977572
-7.111777
-3.184563
4.445532
other
Hf2Mn1Rh1
4
225
65.08
mp-862903
-8.221315
-6.815742
3.353265
other
Pm1Ga1Ag2
4
225
84.86
mp-1193385
-7.900511
-2.639314
5.754155
other
Sc6Ga16Os7
29
225
484.28