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-867882
-9.049994
-6.43102
2.86593
other
Sm1Cd1Au2
4
225
86.4
mp-1184458
-8.882109
-5.518507
6.254104
other
Gd1Y1Rh2
4
225
82.7
mp-1187439
-8.623672
-5.10816
3.03568
other
Th1Cd1Pd2
4
225
85.18
mp-867239
-7.483176
-6.366312
4.336343
other
Ce2Ag1Pb1
4
225
114.53
mp-977115
-7.008294
-7.641705
2.488926
other
Na1Sr1Hg2
4
225
113.66
mp-1184239
-8.761652
-6.332193
4.892538
other
Er1Sc1Zn2
4
225
80.3
mp-1186297
-8.413035
-6.858173
5.431463
other
Nd1Dy1Zn2
4
225
93.97
mp-30227
1.436302
2.885556
-5.276418
other
Rb2W1Cl6
9
225
254.34
mp-1185624
-7.87138
-2.91862
3.509709
other
Mg1Zr1Ni2
4
225
59.73
mp-13322
-8.087584
-2.450027
3.428258
other
Li1Ge1Rh2
4
225
50.44
mp-29481
-0.803528
1.323017
-4.268653
other
Rb2W1Br6
9
225
295.72
mp-866040
-7.817072
-7.715048
3.840812
other
Ca1Ce1Hg2
4
225
109.96
mp-1185944
-7.511426
-2.609713
2.00319
other
Mg1Sb1Rh2
4
225
62.66
mp-973886
-8.947148
-5.491181
6.18389
other
Lu2Co1Rh1
4
225
72.21
mp-30758
-6.103477
-7.095434
2.998163
other
Li2Mg1Pb1
4
225
76.54
mp-1185761
-8.361253
-8.956047
4.054412
other
Mg2Cd1Pd1
4
225
73.2
mp-865873
-8.439881
-7.158215
3.371702
other
Tm1Cd1Ag2
4
225
80.98
mp-863738
-8.728498
-5.399559
3.278844
other
Er1Cd1Pd2
4
225
74.84
mp-541940
-7.508351
-1.438248
2.824374
other
Cr6Si7Ni16
29
225
337.54
mp-862445
-6.989427
-1.653597
4.428577
other
Ta1Al1Os2
4
225
59.42
mp-975616
-7.687536
-6.816485
4.881269
other
La1Eu1Zn2
4
225
104.92
mp-865883
-8.608354
-6.756129
5.0677
other
Gd1Mg1Zn2
4
225
79.84
mp-981548
-7.5692
-7.377126
5.57221
other
Y1Er1Tl2
4
225
106.4
mp-865843
-8.110505
-6.851773
4.734122
other
Yb1Nd1Zn2
4
225
97.53
mp-863690
-6.571863
-1.502318
4.174087
other
Ti2Mn1Co1
4
225
51.65
mp-861934
-8.423025
-6.746687
3.698397
other
Ho1Al1Ag2
4
225
77.23
mp-977416
-9.151952
-5.830895
6.239815
other
Er2Ag1Ir1
4
225
84.8
mp-723393
2.523081
2.92372
-4.042563
other
Te1N2Cl6
9
225
289.64
mp-1206680
-7.157537
-6.094478
2.710451
other
Li2Sn1Pd1
4
225
62.53
mp-865002
-8.551287
-5.140578
5.510567
other
Ca1Y1Rh2
4
225
78.68
mp-1184686
-8.715328
-6.01288
6.40321
other
Ho2Zn1Rh1
4
225
82.05
mp-1018071
-6.978808
-0.291383
3.504376
other
Mn1Fe2Ge1
4
225
45.26
mp-862940
-8.688154
-5.503946
5.535193
other
Er2Cu1Pt1
4
225
79.95
mp-1186555
-7.368924
-6.09324
6.643029
other
Pm1Dy1Al2
4
225
96.3
mp-1185323
-8.80339
-6.210361
2.801143
other
Li1Hf1Au2
4
225
68.99
mp-1184366
-7.715977
-7.087145
5.89259
other
Gd2Tl1Ag1
4
225
104.32
mp-864960
-8.844584
-5.964444
6.24089
other
Dy2Cu1Rh1
4
225
82.18
mp-38843
10.746837
11.564343
3.354293
other
Ca1Ta2O6
9
225
124.84
mp-861966
-8.451394
-6.59047
2.415105
other
Ac1Hg1Au2
4
225
100.83
mp-975914
-7.252939
-7.358015
4.998249
other
Pr1Mg1Tl2
4
225
110.78
mp-867798
-8.248735
-6.168998
6.304954
other
La2Ag1Ru1
4
225
100.06
mp-866061
-7.912852
-6.976105
5.000267
other
Ca1Sm1Zn2
4
225
96.03
mp-977376
-9.051143
-6.348629
2.852069
other
Tb1Cd1Au2
4
225
83.42
mp-1196005
-6.691068
-3.674975
3.461522
other
Nd6Si22Pt46
74
225
1,239.63
mp-1187000
-8.204414
-6.819222
5.680602
other
Sm2Ga1Ag1
4
225
99.45
mp-1186693
-7.623044
-6.89462
6.544914
other
Pr2Mg1Cd1
4
225
117.5
mp-978891
-8.087184
-6.881516
5.544098
other
Sm2In1Ag1
4
225
107.63
mp-1187538
-8.493592
-5.845689
4.321577
other
Yb1Pm1Cu2
4
225
85.62
mp-1113830
8.178335
0.727513
1.110886
other
Rb3In1F6
10
225
204.63
mp-865563
-8.655307
-5.043616
3.278523
other
Lu1Zn1Pd2
4
225
67.36
mp-864927
-6.500629
-2.390492
4.344454
other
Hf2Re1Os1
4
225
68.62
mp-1183508
-6.811643
-7.022468
3.905008
other
Ca1Eu1Cd2
4
225
116.07
mp-1186553
-8.338207
-6.947841
5.544479
other
Pm1Dy1Zn2
4
225
92.83
mp-16482
-8.698564
-5.884132
2.66972
original
Ti1Al1Au2
4
225
65.9
mp-866175
-7.106003
-6.659219
4.061382
other
Yb2Cd1In1
4
225
110.4
mp-1183158
-7.982073
-2.262056
4.119294
other
Al1Ga1Ir2
4
225
54.56
mp-865262
-7.066969
-1.96278
4.313825
other
Tm1Ta1Ru2
4
225
67.48
mp-640898
-7.708137
-9.661472
6.554446
other
La6Mg22Al1
29
225
773.27
mp-867861
-7.977541
-8.860834
7.022134
other
Sm1Y1Mg2
4
225
112.76
mp-866132
-5.367425
-6.317998
0.804129
other
Na2Tl1Sb1
4
225
106.79
mp-1187420
-6.12324
-1.524356
4.027102
other
Ti2Mo1Os1
4
225
60.36
mp-975780
-6.458946
-7.128543
2.659942
other
Li2Tl1Sn1
4
225
81.36
mp-973964
-8.501485
-6.579478
5.633551
other
Lu2Ga1Ag1
4
225
86.18
mp-1184983
-6.057836
-6.176297
0.484892
other
Li2Cd1Bi1
4
225
82.42
mp-12128
-6.466934
-7.199868
3.548669
other
Li2Mg1In1
4
225
73.14
mp-1192939
-7.52701
-0.901209
4.404274
other
Sc6Co16Si7
29
225
371.39
mp-1087215
8.225763
1.831696
-0.34912
other
Na1As1F6
8
225
126.38
mp-1194935
-6.726355
-3.674443
3.451338
other
Sm6Si22Pt46
74
225
1,234.54
mp-978560
-8.491165
-6.932741
3.603297
other
Sm1Zn1Ag2
4
225
84.38
mp-1186390
-6.035748
-1.602081
4.163038
other
Pa1Al1V2
4
225
65.05
mp-1186344
-7.69114
-2.567847
4.842256
other
Np1Sc1Ru2
4
225
70.52
mp-862318
-7.543206
-3.166677
5.175976
other
Li1Al2Ni1
4
225
49.68
mp-975184
-7.292195
-7.316978
5.078327
other
Nd1Mg1Tl2
4
225
109.48
mp-866282
-8.178232
-4.755734
5.187037
other
Ca1Th1Rh2
4
225
84.26
mp-1184464
-6.374068
-6.949962
3.895564
other
Eu2Zn1In1
4
225
116.06
mp-864769
-6.181144
-7.220489
3.981081
other
Li1Yb2Tl1
4
225
113.82
mp-978266
-8.413523
-9.46508
4.82949
other
Mg2Zn1Pt1
4
225
66.61
mp-1111856
8.514821
1.016799
0.433786
other
K3Rh1F6
10
225
171.6
mp-865468
-7.30659
-6.896942
6.398324
other
Pm2Si1Pd1
4
225
94.07
mp-1187351
-9.112842
-5.465374
6.21024
other
Tb1Ho1Ir2
4
225
79.18
mp-973069
-7.645586
-7.360052
5.628833
other
Ho1Lu1Tl2
4
225
103.61
mp-1187383
-7.701469
-2.159848
4.194006
other
Tb1Sn1Ru2
4
225
72.98
mp-1180353
-3.835485
-1.02594
-5.104192
other
Mg2Os1S6
9
225
174.39
mp-861932
-8.598013
-5.99325
2.323223
other
Li1Zn1Au2
4
225
60.23
mp-1113821
8.981843
1.512081
1.402073
other
Rb3V1F6
10
225
186.9
mp-866162
-8.367558
-6.963237
3.584615
other
Y1Mg1Ag2
4
225
84.26
mp-977581
-8.386415
-6.732869
2.434272
other
Eu1Hg1Au2
4
225
92.01
mp-865616
-8.071216
-5.478072
4.027324
other
Yb2Ag1Ir1
4
225
83.63
mp-1184684
-7.475032
-1.709326
4.488105
other
Hf1Ge1Ru2
4
225
59.9
mp-865982
-8.770413
-5.331561
3.261807
original
Tm1Cd1Pd2
4
225
74.26
mp-1111448
1.617421
2.47344
-5.363807
other
Na3As1Cl6
10
225
277.85
mp-866021
-8.518538
-6.388289
2.622225
other
Eu1In1Au2
4
225
91.15
mp-1184663
-9.044485
-5.628894
6.242703
other
Ho2Ru1Pt1
4
225
79
mp-977568
-8.369018
-4.655085
2.661083
other
Zr1Sn1Pd2
4
225
71.82
mp-980062
-8.245688
-6.79026
4.760864
other
Yb1Er1Zn2
4
225
90.33
mp-864965
-7.98408
-4.580212
3.057203
other
Mg2Rh1Au1
4
225
63.18
mp-865155
-8.118622
-2.401883
3.38885
other
Mg1Al1Rh2
4
225
55.22
mp-504729
8.41162
0.885291
0.128662
other
Cs2Pd1F6
9
225
179.4
mp-865302
-8.070169
-6.626523
5.871023
other
Tm2Cd1In1
4
225
99.65
mp-977378
-8.432708
-7.16974
3.505209
other
Er1Cd1Ag2
4
225
81.59