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-1183561
-7.72293
-6.968764
4.780767
other
Ca1Ho1Cd2
4
225
104.95
mp-865957
-8.611098
-6.065881
2.591534
other
Ac1Sn1Au2
4
225
100.92
mp-1185025
-7.435632
-7.28433
5.400236
other
La1Nd1Tl2
4
225
121.99
mp-1185341
-5.82283
-7.227838
3.764162
other
Li1Eu2Cd1
4
225
126.94
mp-1187124
-5.998452
-7.368992
3.184907
other
Sr2Tl1Pb1
4
225
136.74
mp-867756
-8.817054
-5.207304
4.143991
other
Sc2Cu1Au1
4
225
73.29
mp-863671
-8.491732
-6.516762
6.525049
other
Pm2Cu1Ru1
4
225
85.99
mp-662609
-8.080178
-4.430859
2.337194
other
Ce3Si6Pd20
29
225
492.27
mp-862335
-6.622778
-1.955945
1.51447
other
Li1As1Rh2
4
225
50.9
mp-1185329
-8.687708
-3.542367
4.158025
other
Li1Ac1Rh2
4
225
74.31
mp-976598
-6.935007
-3.577096
4.338439
other
Li1Hf2Ir1
4
225
68.97
mp-973771
-7.928963
-6.792324
6.128688
other
Lu2Mg1Hg1
4
225
99.26
mp-1183120
-7.263614
-7.172513
5.128952
other
Ac2Cu1Ru1
4
225
103.01
mp-27691
-0.67502
1.163707
-4.311231
other
K2Pt1Br6
9
225
278.63
mp-976931
-8.386311
-6.760567
3.685795
other
Lu1Al1Ag2
4
225
74.67
mp-1113917
8.068399
0.72478
1.643985
other
Rb3Y1F6
10
225
217.31
mp-999257
-3.010462
0.181553
3.1219
other
Sc2Mn1C1
4
225
54.81
mp-865928
-6.325808
-1.821364
3.979134
other
Ti2Tc1Pt1
4
225
60.3
mp-865383
-8.891508
-5.687157
6.586759
other
Tm2Os1Ru1
4
225
74.48
mp-866145
-9.117059
-5.853755
6.325486
other
Lu2Ag1Ir1
4
225
79.57
mp-1206407
-7.546206
-1.156473
3.367438
other
Mn2Ga1Ni1
4
225
53.03
mp-1205796
8.114963
0.667768
1.134523
other
Rb3Eu1F6
10
225
236.36
mp-867852
-8.901005
-6.018045
6.601432
other
Sm2Ni1Ir1
4
225
83.53
mp-867904
-7.361147
-1.589436
4.323462
other
Al1Ge1Ru2
4
225
53.19
mp-605034
9.149407
0.691962
-0.257086
original
K2Ni1F6
9
225
128.12
mp-1187443
-6.335567
-1.921123
4.278281
other
Ti2Ga1Re1
4
225
60.97
mp-1185436
-8.929412
-5.976395
6.601727
other
Lu2Ga1Ru1
4
225
77.45
mp-866217
-8.530682
-6.443291
6.788589
other
Gd2Zn1Ru1
4
225
85.76
mp-983312
-8.874763
-5.215001
6.28679
other
Tm1Lu1Ru2
4
225
73.09
mp-1185136
-7.631117
-8.63743
6.750134
other
La1Y1Mg2
4
225
117.78
mp-1205880
2.32395
2.727103
-3.922518
other
Y1N3Cl6
10
225
487.85
mp-865520
-8.657266
-5.312711
3.244945
other
Y1Cd1Pd2
4
225
76.67
mp-1113829
8.746754
1.82822
1.363848
other
Rb3Mo1F6
10
225
200.67
mp-977442
-7.044853
-6.67313
4.185711
other
Yb2Zn1Ga1
4
225
93.92
mp-867924
-8.300311
-5.236667
2.22766
other
Li1Cd1Pd2
4
225
62.02
mp-1186482
-8.321725
-6.093404
5.845891
other
Pm2Ni1Pt1
4
225
86.84
mp-862263
-8.402064
-6.742736
3.670939
other
Dy1Al1Ag2
4
225
77.93
mp-867177
-8.196944
-8.083893
3.281481
other
Pr1Cd1Hg2
4
225
98.24
mp-1186673
-8.384854
-6.936072
3.457973
other
Pm1Zn1Ag2
4
225
85.2
mp-1187388
-9.140032
-5.462498
6.220929
other
Tb1Tm1Ir2
4
225
78.16
mp-1192616
-7.708205
-9.731719
6.535209
other
La6Mg23P1
30
225
779.86
mp-1187211
-6.198522
-1.630577
3.953913
other
Ta2Ru1W1
4
225
65.2
mp-1193200
-8.977262
-4.527636
4.274876
other
Zr6Al7Cu16
29
225
417.08
mp-862370
-8.339651
-4.39392
4.934869
other
Sc2Pd1Ru1
4
225
67.97
mp-865885
-8.182548
-7.679715
3.284889
other
Ce1Ag1Hg2
4
225
94.62
mp-1183565
-6.354994
-6.745909
4.271276
other
Ca1Yb1Ga2
4
225
97.4
mp-979434
-7.576006
-7.408978
5.566217
other
Dy1Y1Tl2
4
225
107.71
mp-631578
-4.805583
-5.051447
0.280425
other
Be1Sb1As2
4
225
77.25
mp-866038
-7.960641
-7.804577
3.521239
other
Yb1Gd1Hg2
4
225
105.91
mp-977410
-6.79165
-0.109497
3.836047
other
Nb1Ga1Fe2
4
225
51.01
mp-865011
-6.672665
-1.221888
4.450561
other
Mn2Nb1Al1
4
225
53.73
mp-1114162
-1.218001
3.008955
-2.904089
other
Rb3Al1I6
10
225
486.48
mp-862700
-6.938108
-1.253896
4.25083
other
Al1V1Os2
4
225
54.09
mp-1209267
9.096436
1.353599
1.005937
other
Rb2V1F6
9
225
152.33
mp-862895
-8.742783
-6.096766
6.540637
other
Er2Zn1Ru1
4
225
79.84
mp-23021
-0.640183
1.09835
-4.204998
other
K2Re1Br6
9
225
284.28
mp-1208302
-7.386837
-1.194667
3.632395
other
Ti6Co16Ge7
29
225
362.11
mp-865277
-7.675105
-2.708716
5.032804
other
Tm1Zr1Ru2
4
225
71.36
mp-865227
-7.882667
-7.180455
4.421923
other
Tm1Mg1Cd2
4
225
89.14
mp-1187240
-6.040589
-7.164082
3.176778
other
Sr2In1Hg1
4
225
130.12
mp-975848
-7.868811
-8.370319
6.863223
other
Pr1Nd1Mg2
4
225
119.35
mp-1205629
8.835627
0.371692
1.007492
other
Cs3Fe1F6
10
225
211.57
mp-864835
-7.432024
-3.256279
4.361712
other
Hf2Co1Ir1
4
225
66.99
mp-865211
-8.532287
-2.954314
3.903495
other
Tm1In1Rh2
4
225
69.99
mp-1095185
2.86934
-0.243538
-1.801219
other
Y2Cr1H6
9
225
85.7
mp-1111500
-0.536589
1.23085
-4.490164
other
K3Au1Br6
10
225
383.26
mp-979270
-8.966219
-5.89636
6.416429
other
Tb2Ag1Ir1
4
225
88.26
mp-1183483
-8.110138
-5.129204
4.775409
other
Ca1Ac1Rh2
4
225
90.03
mp-1187111
-5.549404
-7.120189
3.622022
other
Sr2Zn1Ga1
4
225
118.49
mp-862737
-8.33438
-5.355104
2.183355
other
Li1Hg1Pd2
4
225
63.73
mp-865578
-7.633436
-6.593671
6.515918
other
Li1Nd2Ga1
4
225
102.76
mp-1187713
-7.031193
-1.205888
4.186626
other
V1Ga1Os2
4
225
54.62
mp-863686
-7.71437
-6.979598
5.966391
other
Pm2Hg1Ge1
4
225
102.39
mp-1184197
-7.848232
-6.257326
5.329573
other
Ce1Tm1In2
4
225
108.61
mp-980649
-6.879352
-1.812792
4.226109
other
Ti1Nb1Ru2
4
225
61.06
mp-866034
-8.578384
-5.325419
3.199018
other
Gd1Cd1Pd2
4
225
79.96
mp-1185926
-7.856847
-2.649909
2.645587
other
Mn2Pd1Pt1
4
225
60.28
mp-865374
-9.123148
-5.950479
6.688991
other
Tm2Os1Pd1
4
225
77.18
mp-861882
-7.972981
-2.327497
3.834081
other
Li1Ge1Ir2
4
225
51.16
mp-866200
-6.821033
-7.178659
4.636348
other
Li2Sm1Tl1
4
225
81.75
mp-1187628
-7.216862
-3.456047
4.634364
other
Tm1Zr1Co2
4
225
68.64
mp-979012
-7.840138
-6.136333
6.448055
other
Tm2Al1Zn1
4
225
87.13
mp-1184130
-8.780832
-6.063439
6.389699
other
Er2Tc1Ag1
4
225
84.71
mp-672654
-7.6338
-1.26544
3.89087
other
Zr6Co16Ge7
29
225
387.18
mp-863726
-8.727888
-6.192291
6.223104
other
Pm2Pd1Rh1
4
225
88.48
mp-1183459
-6.295438
-7.164204
3.8168
other
Ca2Zn1Cd1
4
225
105.14
mp-978543
-7.611069
-7.390562
5.57791
other
Sm1Er1Tl2
4
225
109
mp-1100768
-8.137475
-8.118606
3.26282
other
Tb1Cd1Hg2
4
225
91.63
mp-1187666
-7.513573
-6.570025
4.850679
other
Yb1Lu1In2
4
225
106.25
mp-1185217
-8.292897
-5.972089
4.144483
other
La1Eu1Pd2
4
225
97.46
mp-864890
-6.953077
-2.77377
4.429454
other
Hf2Fe1Ir1
4
225
66.4
mp-1187836
-8.693878
-3.069667
3.863967
other
Y1Cd1Rh2
4
225
71.93
mp-1114492
1.407856
2.561469
-5.861447
other
Rb3Au1Cl6
10
225
336.71
mp-1183551
-8.530166
-5.886459
4.00922
other
Ca1Y1Pd2
4
225
87.27
mp-862485
-8.220963
-2.408486
3.57154
other
Ga1Cu1Rh2
4
225
52.42
mp-862749
-8.390587
-6.742499
3.635811
other
Sm1Al1Ag2
4
225
81.67
mp-1187040
-7.905336
-7.833364
3.600532
other
Sm1Eu1Hg2
4
225
113.89
mp-623453
-7.404561
-1.215522
3.758584
other
Mn1Ga2Co1
4
225
49.41
mp-1186255
-7.875369
-7.093251
5.753819
other
Nd2Tl1Hg1
4
225
114.81
mp-1112353
1.461322
2.678884
-5.974759
other
Cs3Sb1Cl6
10
225
418.91