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-1193952
-8.571673
-0.532759
2.4982
other
Zr3Ni20B6
29
225
305.3
mp-977358
-9.085613
-5.891407
6.437835
other
Ho2Ag1Ir1
4
225
85.92
mp-1113820
8.542707
1.37082
1.451956
other
Rb3Ti1F6
10
225
191.88
mp-1185183
-8.069329
-7.491496
4.111503
other
La1Ce1Hg2
4
225
115.66
mp-865600
-9.029065
-5.893228
6.404987
other
Y2Ir1Pd1
4
225
82.29
mp-1184416
-8.43201
-6.254777
6.461077
other
Gd2Zn1Rh1
4
225
86.59
mp-862821
-8.879295
-6.463612
2.738956
other
Pa1Sn1Au2
4
225
87.05
mp-862711
-7.999275
-5.884217
4.9767
other
Sc2Cd1In1
4
225
88.48
mp-972323
-6.088589
-1.626381
4.210967
other
Ta1Nb1Tc2
4
225
64.37
mp-861505
-7.556217
-7.15217
5.877615
other
Pr2Mg1Tl1
4
225
120.13
mp-1185403
-7.664906
-6.592663
6.488048
other
Li1Pr2Ga1
4
225
105.43
mp-1184072
-8.912065
-5.739612
6.168431
other
Dy2Pd1Rh1
4
225
81.57
mp-14842
-6.388544
-1.168013
0.966234
other
Mg3Ni20P6
29
225
341.16
mp-1187371
-9.123025
-5.372121
6.125041
other
Tb1Lu1Ir2
4
225
77.11
mp-1186579
-7.698262
-7.009735
4.802512
other
Pm1Eu1Zn2
4
225
99.37
mp-1186678
-8.088763
-8.049767
3.316297
other
Pm1Zn1Hg2
4
225
90.29
mp-1184163
-9.039497
-6.298284
2.896523
other
Er1Cd1Au2
4
225
81.25
mp-1187175
-5.135617
-7.467062
3.913939
other
Sr1Ca1Eu2
4
225
180.53
mp-1111161
-0.405477
1.214169
-4.529154
other
K3Tl1Br6
10
225
409.1
mp-1111934
9.309533
0.499788
0.186543
other
Na3Co1F6
10
225
137.33
mp-977542
-7.25589
-7.382882
4.868279
other
Li1Tb1Tl2
4
225
97.02
mp-1192585
-7.780239
-9.678903
6.429954
other
La6Mg23Sb1
30
225
793.28
mp-977435
-8.392938
-2.719896
3.897227
other
Zr1Al1Rh2
4
225
62.45
mp-865215
-7.746466
-2.868104
5.00947
other
Tm1Hf1Ru2
4
225
70.01
mp-980669
-8.261127
-4.979164
6.118023
other
Tm1Lu1Co2
4
225
70.65
mp-865874
-7.398207
-7.366508
2.423275
other
Li2Ag1Hg1
4
225
64.72
mp-978984
-8.186626
-4.144424
3.460074
other
Tm1Mg1Pt2
4
225
72.38
mp-1112170
1.26695
2.46319
-5.69018
other
K2In2Cl6
10
225
336.83
mp-864755
-5.856184
-3.778793
-1.954489
other
Li1Ac1Te2
4
225
124.47
mp-862287
-7.830662
-2.181329
3.517504
other
Be1Al1Rh2
4
225
47.96
mp-863714
-8.553025
-6.12717
6.266715
other
Pm2Ni1Rh1
4
225
83.97
mp-1187716
-8.544007
-6.753331
5.529197
other
Y2Zn1Cu1
4
225
87.25
mp-865814
-7.845001
-7.643672
2.994091
other
Yb1Mg1Hg2
4
225
94.48
mp-977354
-6.784646
-2.214071
4.289842
other
Ho1Ta1Os2
4
225
70.46
mp-1184427
-7.644014
-6.57302
6.543098
other
Gd2Al1Zn1
4
225
94.85
mp-865629
-6.101321
-6.333124
4.623421
other
Li2Ce1Al1
4
225
79.81
mp-1185017
-6.636331
-6.539329
4.697637
other
Li2Pr1Ga1
4
225
77.63
mp-867319
-7.710046
-1.903867
4.04469
other
Al2Co1Ir1
4
225
50.21
mp-977444
-8.939047
-6.530708
2.708875
other
Pa1Ag1Au2
4
225
82.78
mp-864602
-7.624325
-7.05198
5.969798
other
Nd2Mg1Tl1
4
225
117.41
mp-1193908
-7.621042
0.335781
3.557822
other
V2Co21B6
29
225
282.1
mp-864807
-8.341156
-2.056484
3.013405
other
Hf1Zn1Ni2
4
225
53.99
mp-862563
-7.887686
-4.644683
5.398764
other
Sc2Be1Tc1
4
225
66.29
mp-866020
-8.013165
-7.773796
3.566115
other
Yb1Sm1Hg2
4
225
106.87
mp-972949
-8.099799
-6.888939
5.248831
other
La1Sm1Zn2
4
225
100.25
mp-1186235
-8.540749
-6.435819
6.733619
original
Nd2Ag1Ru1
4
225
95.16
mp-1185020
-7.518009
-7.325478
5.468652
other
La1Ho1Tl2
4
225
115.9
mp-1186338
-7.955925
-6.561434
5.726871
other
Nd1Tm1In2
4
225
108.17
mp-1184125
-9.035797
-5.521895
6.12192
other
Er2Co1Ir1
4
225
76.23
mp-1185229
-6.917165
-5.727378
5.291113
other
Li1Ce2Ga1
4
225
96.54
mp-10893
-8.101643
-2.95923
2.787815
other
Mn1Al1Pt2
4
225
59.65
mp-1184869
-8.28171
-7.728555
4.61476
other
Ho1Lu1Hg2
4
225
96.77
mp-971868
-8.431624
-6.950487
3.661216
other
Tm1Mg1Ag2
4
225
81.41
mp-697038
3.290015
-0.81732
-2.327562
other
Ba2H6Ru1
9
225
131.26
mp-1185013
-8.256628
-4.450238
3.713581
other
La1Yb1Pt2
4
225
90.66
mp-866216
-8.61323
-5.05324
5.493427
other
Ca1Dy1Rh2
4
225
77.96
mp-22463
-8.016315
-2.134848
2.896673
other
Ti1In1Ni2
4
225
57.48
mp-1186645
-8.879965
-5.661332
6.57087
other
Pm1Sm1Ru2
4
225
84.17
mp-981381
-7.853268
-7.182937
5.710702
other
Tm2Tl1Hg1
4
225
100.1
mp-1205571
10.578414
8.834505
2.40545
other
Ba3Pu1O6
10
225
187.83
mp-867922
-8.364951
-2.698038
3.78044
other
Sc1Al1Rh2
4
225
59.32
mp-1185965
-7.94118
-5.301704
5.15986
other
Mg1Sc2Ga1
4
225
81.8
mp-1110843
8.110353
0.779426
1.653625
other
K3Y1F6
10
225
210.05
mp-1185378
-7.350533
-7.217107
5.643631
other
Li1Gd2Tl1
4
225
106.9
mp-622990
-7.553095
-0.282749
3.400295
other
Ga1Fe2Ni1
4
225
48.19
mp-1183386
-5.851701
-7.322667
3.072045
other
Ba1Sr1Tl2
4
225
146.67
mp-1184832
-8.805265
-6.270126
2.728473
other
Ho1Sn1Au2
4
225
84.41
mp-1207847
8.309491
2.279563
-1.009707
other
V1N2F6
9
225
127.77
mp-1191852
3.440396
-0.756464
-2.452631
other
Mg6Ti1H16
23
225
213.54
mp-865591
-6.1292
-1.733225
4.010657
other
Ti2Ni1Mo1
4
225
57.62
mp-1184347
-6.268414
-7.162137
3.29718
other
Eu1Mg1Tl2
4
225
108.33
mp-1206084
8.007901
0.661133
1.578515
other
Cs3Pr1F6
10
225
262.66
mp-865999
-8.153151
-5.622506
2.818458
other
Yb1Tl1Pd2
4
225
78.77
mp-1193078
-7.635617
-3.822428
4.547216
other
Hf6Ga16Ni7
29
225
436.91
mp-984768
-9.114604
-5.456454
6.174274
other
Dy1Ho1Ir2
4
225
78.67
mp-862759
-8.741693
-6.777123
5.112413
other
Pr1Mg1Zn2
4
225
84.84
mp-861958
-6.158813
-1.671231
4.151348
other
Ti2Mn1Be1
4
225
51.76
mp-979751
-6.595787
-0.642309
4.200623
other
Ta1Ti1Fe2
4
225
54.79
mp-1187667
-8.412343
-6.280495
3.014686
other
Yb1Eu1Au2
4
225
99.84
mp-1184451
-8.328286
-6.473528
2.458856
other
Eu1Pb1Au2
4
225
95.61
mp-1206189
8.072569
0.764309
1.702058
other
K3Er1F6
10
225
207.69
mp-982007
-8.778314
-6.10596
5.160488
other
Y1Tm1Cu2
4
225
80.69
mp-1207020
2.462286
2.865542
-4.28975
other
Re1N2Cl6
9
225
251.53
mp-23475
1.46068
2.65028
-5.571582
other
Rb2Pb1Cl6
9
225
271.39
mp-977538
-8.637767
-2.989195
3.857825
other
Er1Zn1Rh2
4
225
64.34
mp-866013
-7.989953
-8.912678
6.988457
other
Dy1Tm1Mg2
4
225
106.85
mp-1184521
-8.396795
-6.818679
5.399478
other
Gd1Er1Zn2
4
225
89.25
mp-1185861
-8.220812
-3.491444
2.841257
other
Mg1Ga1Pt2
4
225
59.98
mp-1187336
-8.068249
-6.488902
5.696244
other
Tb1Er1In2
4
225
103.93
mp-1187209
-5.663108
-2.161512
3.738779
other
Ta2Ti1W1
4
225
68.43
mp-1185892
-8.579171
-4.146942
2.250317
other
Mg1Mn1Pd2
4
225
61.28
mp-1186762
-7.904253
-7.835128
3.641052
other
Pr1Eu1Hg2
4
225
114.83
mp-1185496
-8.290005
-4.193469
4.977182
other
Lu1Hf1Rh2
4
225
70.86
mp-1184619
-6.670408
-2.426287
4.330321
original
Hf2Re1Ru1
4
225
69.34
mp-865378
-8.464005
-3.004507
3.540788
other
Lu1Sn1Rh2
4
225
69.48
mp-865281
-8.669442
-5.784666
5.746675
other
Tm2Ag1Pt1
4
225
84.06
mp-862654
-8.865637
-6.280374
2.796094
other
La1Ga1Au2
4
225
91.05
mp-569823
-8.459148
-7.018902
3.440987
other
Y1In1Ag2
4
225
84.1
mp-1111001
8.885852
1.637552
1.511546
other
Na3Ti1F6
10
225
144.53
mp-983428
-8.056476
-6.727986
5.838469
other
Pm1Dy1In2
4
225
108.67