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-984104
-9.06011
-5.97138
6.36135
other
Dy2Ir1Au1
4
225
84.78
mp-981393
-8.702786
-6.91478
4.565063
other
Lu2Hg1Au1
4
225
89.54
mp-7473
-7.408572
-4.535379
4.72308
other
Li1Cu2Si1
4
225
46.43
mp-865916
-5.971812
-0.912364
3.802904
other
Ti1V1Re2
4
225
57.62
mp-1185587
-8.763186
-5.786736
6.180255
other
Gd2Pd1Rh1
4
225
86.87
mp-975528
-7.586637
-7.373437
5.548665
other
Nd1Dy1Tl2
4
225
112.35
mp-1184270
-6.944178
-7.260828
1.768078
other
Eu1Hg2Bi1
4
225
117.36
mp-1184678
-6.927642
-2.938913
4.535512
other
Hf2Fe1Rh1
4
225
65.98
mp-972337
-6.253338
-1.601763
3.862244
other
Ti2Ir1W1
4
225
60.77
mp-865000
-8.161016
-3.557359
4.445868
other
Hf1Sc1Ir2
4
225
68.16
mp-977411
-8.498478
-5.831158
2.551749
other
Np1Sn1Au2
4
225
89.36
mp-865438
-8.358343
-3.273217
3.654674
other
Lu1Tl1Rh2
4
225
70.6
mp-865420
-8.847509
-5.870985
6.531025
other
Lu2Cu1Tc1
4
225
74.63
mp-1205824
8.30476
1.22997
1.573213
other
Sc1Tl3F6
10
225
204.27
mp-867909
-8.476572
-3.008786
3.747754
other
Sc1Cd1Rh2
4
225
65.66
mp-1185512
-8.146853
-4.094691
3.331012
other
Lu1Cd1Pt2
4
225
75.24
mp-1184989
-7.484188
-7.3286
5.45064
other
La1Dy1Tl2
4
225
116.53
mp-1184815
-8.967607
-5.393894
6.149724
other
Gd1Er1Rh2
4
225
81.32
mp-973325
-6.314828
-6.794645
3.649659
other
Li2Mg1Ge1
4
225
63.36
mp-865624
-6.83547
-7.195068
4.7385
other
Li2Ho1Tl1
4
225
77.17
mp-31169
-8.366065
-6.490843
3.702821
other
Sc1Al1Ag2
4
225
70.61
mp-1111490
-0.404894
1.20525
-4.490949
other
K3In1Br6
10
225
394.45
mp-1184986
-6.509431
-6.62552
4.688774
original
Li2Nd1Ga1
4
225
78.31
mp-864951
-7.155492
-1.259004
4.408225
other
Mn1Al1Os2
4
225
53.19
mp-1183845
-7.609514
-8.488303
6.508196
other
Ce1Sm1Mg2
4
225
112.72
mp-977110
-8.221127
-4.915118
2.435002
other
Na1Sn1Pd2
4
225
68.64
mp-1187212
-5.984463
-1.687035
4.249376
other
Ta2Re1Tc1
4
225
64.53
mp-865538
-6.217184
-1.870546
4.098219
other
Ti2Re1Pd1
4
225
60.83
mp-864959
-8.900607
-6.301921
6.742188
other
Dy2Cu1Os1
4
225
78.98
mp-1113823
8.543383
1.649206
1.528196
other
Rb3Ta1F6
10
225
217.18
mp-866197
-6.224095
-6.930851
3.80962
other
Li2Pr1Pb1
4
225
86.42
mp-1183577
-7.057338
-7.144877
4.219562
other
Ca1Yb1Zn2
4
225
97.22
mp-862813
-8.973735
-6.751949
2.700131
other
Pa1Pb1Au2
4
225
91.76
mp-1184370
-8.691504
-6.150421
6.770055
other
Gd2Ni1Ru1
4
225
80.03
mp-12559
-7.024984
-3.394141
0.982939
other
Mn1As1Pd2
4
225
62.49
mp-865449
-8.579752
-6.277427
6.851753
other
Tm2Mg1Tc1
4
225
87.01
mp-982870
-8.142149
-2.535253
4.070642
other
Hf1Al1Ir2
4
225
63.83
mp-975522
-7.586757
-7.350506
5.55226
other
Nd1Lu1Tl2
4
225
109.73
mp-21725
-8.057997
-1.937201
2.630628
other
Mg6Ni16Ge7
29
225
373.61
mp-866094
-9.093424
-4.613056
4.263237
other
Hf1Zn1Cu2
4
225
56.92
mp-862363
-8.290288
-4.422364
4.280066
other
Sc2Pd1Pt1
4
225
71.26
mp-10474
8.534179
1.8996
-0.515038
other
Na1P1F6
8
225
114.53
mp-1111290
9.890582
0.57845
-0.143567
other
Li3Co1F6
10
225
108.89
mp-1205997
8.747223
1.743463
1.438022
other
Na1U1F6
8
225
162.42
mp-1111688
9.843859
1.119462
1.342132
other
Li3Cr1F6
10
225
115.2
mp-1186453
-7.691131
-6.895344
6.177508
other
Pm2Ga1Cu1
4
225
94.61
mp-752683
9.026392
9.918272
0.186522
other
Mn4Cd24O32
60
225
833.6
mp-1183730
-8.288704
-6.451508
4.960085
other
Ce1Ho1Zn2
4
225
92.82
mp-864947
-8.513597
-2.965109
3.689
other
Zr1Sn1Rh2
4
225
68.4
mp-1185050
-7.501444
-6.903138
5.313151
other
La2Tl1Ag1
4
225
119.34
mp-983123
-8.866229
-5.983742
2.742494
other
Hf1Mg1Au2
4
225
73.23
mp-976076
-6.736899
-7.770673
4.953545
other
Na1Ac2Sn1
4
225
139.86
mp-1186187
-6.25879
-7.185262
2.171207
other
Na1Tl2Sn1
4
225
118.07
mp-1206511
-1.380915
2.59771
-2.436465
other
Cs2Zr1I6
9
225
409.29
mp-1187006
-9.174185
-5.28373
4.189977
other
Sc1Zn2Cu1
4
225
59.75
mp-865828
-8.251037
-2.551662
4.969514
other
Yb1Pa1Ru2
4
225
76.64
mp-1187586
-8.605787
-5.904256
6.799402
other
Tm2Al1Ru1
4
225
81.29
mp-973572
-7.632801
-7.075989
5.121071
other
La2Tl1Hg1
4
225
122.5
mp-865841
-8.288994
-4.310874
3.427649
other
Yb1Pa1Pt2
4
225
84.46
mp-13914
-7.604022
-0.990944
3.673187
other
Li1Co2Ge1
4
225
42.53
mp-1187096
-5.855955
-7.343202
3.253192
other
Sr2Zn1Hg1
4
225
121.89
mp-862683
-6.985004
-7.549012
4.9649
other
Ac2Ga1Cu1
4
225
115.89
mp-867249
-6.491341
-0.137562
3.931584
other
Ta1Al1Fe2
4
225
50.45
mp-974634
-7.886162
-6.321136
2.114461
original
Li1Ag2Pd1
4
225
63.62
mp-867304
-7.021235
-0.030619
3.745878
other
Be1V1Fe2
4
225
40.88
mp-973058
-7.630963
-6.172185
6.304351
other
Li1Lu2Al1
4
225
89.36
mp-1186766
-6.077
-1.786654
3.977589
other
Ta2Mo1Ir1
4
225
65.32
mp-1183708
-8.135225
-2.598037
3.372779
other
Cr1Sn1Rh2
4
225
61.38
mp-862817
-9.085778
-6.712297
2.711205
other
Pa1Hg1Au2
4
225
85.64
mp-973333
-8.63416
-6.809473
5.392166
other
Ho1Lu1Zn2
4
225
87.55
mp-1192643
-7.671588
-9.83846
6.619927
other
Gd6Mg23C1
30
225
724.24
mp-1186585
-7.792354
-6.852172
6.267264
other
Pm2Al1In1
4
225
107.08
mp-865652
-6.336849
-0.695361
3.908466
other
Ti1Mn2Si1
4
225
47.64
mp-631316
-5.495073
-5.836612
0.502817
other
Li2Ga1Sb1
4
225
76.59
mp-23471
1.685104
2.721001
-5.303358
other
K2Ru1Cl6
9
225
231.3
mp-23513
1.6433
2.689117
-5.288088
other
K2Pt1Cl6
9
225
233.97
mp-571310
-8.141367
-3.940221
3.173723
other
Zr1In1Pt2
4
225
74.08
mp-1187670
-8.807866
-6.411631
4.930355
other
Tm1Sc1Zn2
4
225
79.71
mp-1183595
-6.41089
-7.343512
3.679607
other
Ca1Yb1Tl2
4
225
117.42
mp-862923
-8.335469
-6.999525
3.31611
other
Pm1In1Ag2
4
225
87.76
mp-1193521
-7.545315
0.299437
3.566932
other
V3Co20B6
29
225
282.37
mp-1185768
-8.236756
-3.695969
3.41724
other
Mg2Ir1Pt1
4
225
59.65
mp-973893
-7.830129
-7.202089
5.652066
original
Lu2Tl1Hg1
4
225
97.78
mp-1187269
-7.85008
-7.194973
5.66061
other
Tb2Tl1Hg1
4
225
104.82
mp-865580
-6.837548
-6.936665
4.742383
other
Li2Dy1In1
4
225
79.08
mp-1114159
-1.18993
2.965136
-2.979393
other
Rb3As1I6
10
225
511.6
mp-1113996
1.391455
2.572446
-5.833812
other
Rb3Ga1Cl6
10
225
331.1
mp-1110928
-0.435256
1.180932
-4.448812
other
K3Bi1Br6
10
225
430.21
mp-864771
-6.408719
-6.678324
3.723403
other
Li1Yb2Pd1
4
225
92.53
mp-1185241
-7.353061
-7.10311
5.531977
other
Li1Y2Tl1
4
225
103.9
mp-975442
-8.027374
-6.488264
5.628641
other
Nd1Er1In2
4
225
108.7
mp-1187891
-7.683223
-6.080635
3.334978
other
Yb2Ge1Au1
4
225
91.05
mp-1095163
2.916333
3.11599
-4.289115
other
Pt1Cl6O2
9
225
193.91
mp-30376
-8.940329
-6.299263
2.899072
other
Er1In1Au2
4
225
82.1
mp-865708
-8.364096
-6.543285
7.068578
other
Li1Sm2Ru1
4
225
87.73
mp-867900
-8.692558
-3.009927
3.896098
other
Dy1Cd1Rh2
4
225
71.36
mp-1192447
-7.783736
-9.721171
6.761683
other
Nd6Mg23C1
30
225
740.78
mp-10885
-7.926947
-1.489392
2.781362
other
Al1Cr1Ni2
4
225
48.46
mp-863672
-7.953557
-7.014662
4.541771
other
Er1Mg1Cd2
4
225
89.78
mp-972528
-8.299115
-6.931601
4.729493
other
Sm1Y1Ag2
4
225
97.97