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-1194111
-7.912578
-2.866798
5.437881
other
Zr6Ga16Os7
29
225
483.63
mp-862955
-7.065632
-2.889871
1.678451
other
Pm1Sb1Rh2
4
225
75.83
mp-866284
-7.374869
-1.865584
4.426034
other
Al2Ir1Os1
4
225
53.66
mp-1187436
-6.266711
-1.862935
4.217542
other
Ti2Cu1Re1
4
225
58.63
mp-865868
-8.359268
-3.125855
4.116911
other
Li1Zr1Rh2
4
225
60.42
mp-1111158
-1.261072
2.411222
-2.452013
other
K3Ta1I6
10
225
467.41
mp-1187711
-8.263303
-6.745035
5.767948
other
Y2Ga1Ag1
4
225
93.73
mp-863681
-5.783525
-1.553516
4.432164
other
Er1Th1Tc2
4
225
83.12
mp-2927
-7.67446
-6.550202
2.241565
other
Li1Ag2Sn1
4
225
72.58
mp-1184249
-8.281125
-7.71941
4.632673
other
Er1Tm1Hg2
4
225
97.04
mp-1185377
-7.409419
-10.633337
5.2962
other
Li1Mg2Ni1
4
225
62.17
mp-865225
-9.046735
-6.261364
2.961582
other
Tm1Mg1Au2
4
225
79.24
mp-864659
-8.711674
-5.957883
6.51321
other
Nd2Ni1Ir1
4
225
88.7
mp-1104404
7.195618
4.745166
-2.128155
other
Ni1N8O6
15
225
120.83
mp-1183820
-8.307005
-7.702966
4.615338
other
Dy1Ho1Hg2
4
225
99.92
mp-977556
-7.85198
-6.8177
4.488853
other
Mg1Sc1Cd2
4
225
83.67
mp-1186759
-6.637869
-1.849044
4.265
original
Ta2Os1Ru1
4
225
64.69
mp-16524
-8.564019
-4.772201
3.084789
other
Sc1Al1Pd2
4
225
64
mp-1183783
-8.870144
-5.196268
6.432747
other
Dy1Er1Ru2
4
225
76.08
mp-1183281
-5.422884
-6.980298
3.367287
other
Ba2Cd1In1
4
225
154.38
mp-1187617
-7.325464
-8.930059
6.225453
other
Yb1Nd1Mg2
4
225
119.98
mp-1185365
-7.872479
-8.897069
3.767891
other
Li1Mg2Au1
4
225
69.28
mp-977353
-5.942678
-1.802402
3.997764
other
Ta2Re1Mo1
4
225
65.89
mp-1183792
-8.258202
-7.764048
4.616112
other
Dy1Lu1Hg2
4
225
97.36
mp-1186256
-7.905621
-7.060125
5.921451
other
Nd2Tl1Ag1
4
225
111.96
mp-643002
3.002902
-0.723837
-1.950351
other
Mg2H6Os1
9
225
73.03
mp-861479
-7.941597
-8.879629
7.005107
other
Pr1Y1Mg2
4
225
115.15
mp-31186
-7.488878
-0.113129
3.752343
other
Al1Fe2Ni1
4
225
47.19
mp-979176
-8.484272
-7.140559
5.065917
other
Tm2Ag1Hg1
4
225
93.45
mp-1186763
-5.784322
-1.618075
3.840725
other
Ta2Mo1W1
4
225
67.09
mp-1184126
-8.550427
-6.156662
6.52247
other
Er2Mg1Tc1
4
225
88.63
mp-977418
-8.331068
-6.056208
2.211433
other
Li1Mg1Au2
4
225
64.65
mp-983559
-8.113429
-6.629352
5.010067
other
Ce1Pm1Zn2
4
225
96.56
mp-984660
-8.139401
-6.85843
5.747227
other
Dy2In1Hg1
4
225
103.13
mp-864945
-6.229186
-1.241534
4.343026
other
Mn1Be2Rh1
4
225
42.29
mp-977537
-8.462575
-3.088937
4.025436
other
Zr1Cd1Rh2
4
225
66.94
mp-19929
-8.218989
-1.993551
2.747675
other
Mg1In1Ni2
4
225
57.28
mp-1112371
1.379883
2.74533
-6.005022
other
Cs3Bi1Cl6
10
225
431.61
mp-1185321
-7.995405
-5.619894
3.938269
other
Li1Al2Au1
4
225
59.3
mp-867253
-9.242775
-4.190766
3.43332
other
Li1Zn2Ir1
4
225
53.55
mp-1185242
-7.97333
-6.347801
6.407275
other
Li1Tm2Ga1
4
225
89.78
mp-1187984
-6.426176
-2.524158
4.223666
other
Zr2Fe1Tc1
4
225
66.91
mp-1185309
-6.444547
-5.831809
1.184728
other
Li1Ag2Sb1
4
225
78.48
mp-980199
-7.98938
-7.827253
3.712285
other
Yb1Dy1Hg2
4
225
103.42
mp-610706
9.101501
0.229996
0.240095
other
Cs2Co1F6
9
225
173.56
mp-977554
-8.319963
-6.569259
3.572378
other
Mg1Sc1Ag2
4
225
75.65
mp-1183773
-8.123587
-4.098358
3.335292
other
Dy1Cd1Pt2
4
225
76.52
mp-865779
-7.595102
-1.631506
3.979079
other
Ga2Co1Ru1
4
225
50.34
mp-1187263
-8.992706
-5.827008
6.496685
other
Tb2Pd1Ru1
4
225
81.71
mp-861643
-6.920784
-9.556492
5.995727
other
Ca1La1Mg2
4
225
125.25
mp-1184435
-8.887802
-6.303506
5.047139
other
Gd2Cu1Au1
4
225
90.43
mp-1184576
-8.158955
-2.457261
4.055271
other
Hf1Be1Ir2
4
225
57.79
mp-1187041
-8.299027
-6.96184
5.473885
other
Sm1Gd1Zn2
4
225
93.64
mp-1001914
-7.677712
-5.476283
3.301324
other
Li2Sn1Ir1
4
225
57.67
mp-582719
-7.418619
-1.742096
2.844196
other
Ta6Ni16Ge7
29
225
376.98
mp-1185234
-6.65666
-5.674635
5.483652
other
Li1Ce2Al1
4
225
98.15
mp-1110792
1.429288
2.376014
-5.516388
other
Na3In1Cl6
10
225
283.61
mp-867915
-7.953364
-1.348517
4.223995
other
Sc1Ga1Co2
4
225
51.65
mp-1211950
9.059482
0.677694
0.402407
other
K2Cr1F6
9
225
133.64
mp-1185601
-7.765882
-6.429594
5.876839
other
La1Pm1Ga2
4
225
102.72
mp-864622
-8.79419
-5.900825
6.284
other
Nd2Ir1Pd1
4
225
91.81
mp-865857
-7.329941
-2.288772
4.270078
other
Yb1Nb1Ru2
4
225
66.87
mp-867859
-9.064227
-5.83607
6.626156
other
Sm2Ir1Ru1
4
225
84.6
mp-1187870
-7.566728
-7.395727
5.581862
other
Y1Tm1Tl2
4
225
106.03
mp-5382
-7.785067
-1.889761
3.038068
other
Sc6Si7Ni16
29
225
365.64
mp-1211423
8.682257
1.139164
1.889638
other
K2Lu6F20
28
225
352.16
mp-1186310
-8.110494
-6.941087
4.186094
other
Nd1Eu1Ag2
4
225
105.77
mp-866193
-6.602311
-6.776019
4.608523
other
Li2La1In1
4
225
89.71
mp-865308
-6.494344
-1.591172
4.127932
other
Be2Cu1Rh1
4
225
40.2
mp-867810
-8.169191
-8.212575
3.458998
other
Li1Y1Hg2
4
225
87.99
mp-1184969
-6.705231
-6.821567
3.100254
other
Li2Ag1Ge1
4
225
58.83
mp-866157
-8.241783
-2.497341
3.793558
other
Ti1Ga1Rh2
4
225
56.35
mp-1183547
-6.532538
-4.648677
0.66994
other
Ca1Sb1Pd2
4
225
78.39
mp-862859
-8.197528
-6.077682
2.493699
other
Pu1Cd1Au2
4
225
87.98
mp-3464
-7.312136
-1.413361
4.24672
other
Fe1Si1Ru2
4
225
50.73
mp-865799
-5.594573
-5.115378
0.973816
other
Yb2As1Au1
4
225
92.12
mp-972062
-8.038056
-7.838011
3.686894
other
Yb1Tm1Hg2
4
225
101.33
mp-1193679
-7.212412
-3.382224
5.3081
other
Zr6Al16Ni7
29
225
443.32
mp-628606
-1.141163
3.044165
-3.075095
original
Rb2Pd1I6
9
225
375.28
mp-866142
-7.960883
-2.214354
3.88839
other
Ti1Ga1Ir2
4
225
57.91
mp-1192592
-7.757245
-9.557309
6.296447
other
Ce6Mg23Sb1
30
225
769.33
mp-1184614
-8.674514
-6.385357
6.709443
other
Ho2Hg1Os1
4
225
88.43
mp-1186166
-7.925546
-8.070251
3.488649
other
Na1Gd1Hg2
4
225
101.83
mp-1112961
1.337006
2.698037
-5.893408
other
Cs2In2Cl6
10
225
334.6
mp-865487
-8.22611
-2.33503
3.511729
other
V1Zn1Rh2
4
225
53.87
mp-978267
-8.216568
-9.035741
5.109928
other
Mg2Zn1Rh1
4
225
64.62
mp-864920
-8.782733
-6.035547
2.792857
other
Mg1Zr1Au2
4
225
74.92
mp-1111700
-0.279557
1.265667
-4.327619
other
Na3Tl1Br6
10
225
356.11
mp-862829
-5.741814
-3.869816
-0.819413
other
Pa1Te2Au1
4
225
101.8
mp-11235
-7.87726
-8.315598
5.752865
other
Sm1Mg2Ag1
4
225
90.97
mp-867919
-7.183928
-2.093296
4.364646
other
Er1Nb1Ru2
4
225
68.55
mp-1184659
-7.97129
-6.663528
5.7766
other
Gd1Dy1In2
4
225
106.79
mp-1187934
-8.126635
-5.284386
3.969454
other
Yb2Rh1Au1
4
225
82.47
mp-1187251
-7.193592
-1.693532
4.621803
other
Ta1Si1Ru2
4
225
58.09
mp-974770
-8.682159
-6.826685
4.770026
other
Nd1Zn2Cd1
4
225
81.94
mp-631563
-5.038681
-5.022989
0.164195
other
Tl1Co1As2
4
225
76.16
mp-866089
-8.394466
-2.862689
3.462939
other
Gd1Sn1Rh2
4
225
75.56
mp-1186466
-8.95879
-5.587412
6.313095
other
Pr1Nd1Ir2
4
225
90.42
mp-1205757
-0.859912
1.308023
-4.317378
other
Rb2Mo1Br6
9
225
293.12
mp-972541
-7.591227
-7.39595
5.560925
other
Sm1Tm1Tl2
4
225
108.52