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-1183609
-6.253757
-7.32428
3.341653
other
Ca1Eu1Tl2
4
225
120.14
mp-1187929
-6.887579
-6.804254
4.157158
other
Yb2Zn1In1
4
225
103.29
mp-867198
-8.520239
-4.588937
2.27152
other
Li1Ga1Pd2
4
225
54.13
mp-865101
-5.769621
-6.199671
0.647316
other
Na1Li2Bi1
4
225
84.08
mp-972455
-8.089159
-6.589447
5.804623
other
Tm1Lu1In2
4
225
99.87
mp-977394
-8.416459
-6.74532
3.604607
other
Tb1Al1Ag2
4
225
78.68
mp-29008
-0.298633
1.340188
-4.430469
other
Li6Mg1Br8
15
225
325.4
mp-867858
-5.974872
-1.635434
4.422848
other
Sc1U1Tc2
4
225
71.48
mp-866052
-8.839022
-6.114205
6.61302
other
Gd2Pd1Ru1
4
225
83.53
mp-567959
-5.588286
-7.114926
3.523747
other
Sr22Ga8Sn6
36
225
1,298.08
mp-1187858
-8.789987
-5.299521
6.335472
other
Y1Lu1Ru2
4
225
76.85
mp-1186006
-6.666895
-0.877352
3.79986
other
Mn1V2Ru1
4
225
50.25
mp-1186196
-7.105004
-7.367166
4.853056
original
Na1Y1Tl2
4
225
105.41
mp-20440
-7.689688
-1.750158
2.604983
other
Mn1Ni2Sn1
4
225
54.54
mp-505472
-8.414831
-0.460004
2.332442
other
Al3Ni20B6
29
225
279.58
mp-10525
1.949488
1.97451
1.283227
other
Na1Li2N1
4
225
39.73
mp-570528
-7.973577
-5.338471
4.164047
other
Li2Ga1Ir1
4
225
51.18
mp-867913
-8.769918
-6.185224
6.63006
other
Li1Ho2Ir1
4
225
81.41
mp-1110574
8.728782
1.508762
1.022683
other
Na3As1F6
10
225
153.73
mp-863654
-7.029461
-7.005077
6.346083
other
Pm2Cd1Si1
4
225
100.7
mp-865304
-8.897
-5.812008
6.662023
other
Tm2Co1Ru1
4
225
71.77
mp-1183853
-7.987031
-6.536416
4.106514
other
Ce1Eu1Ag2
4
225
125.37
mp-867788
-7.021454
-1.636361
4.389079
other
Ta1Ga1Os2
4
225
59.81
mp-1188001
-6.825425
-2.672448
4.335752
other
Zr2Tc1Ir1
4
225
70.55
mp-983556
-7.62551
-7.034542
5.538901
other
Er2Mg1Tl1
4
225
102.94
mp-867346
-8.138702
-7.817113
3.367819
other
Th1Cd1Hg2
4
225
98.53
mp-1187090
-5.353819
-7.133794
3.673528
other
Sr2Li1Rh1
4
225
107.39
mp-978973
-8.200857
-7.100677
5.403678
other
Sm2Zn1Hg1
4
225
101.98
mp-862311
-8.130925
-4.378397
5.01425
other
Sc2Ga1Ru1
4
225
69.72
mp-1185446
-7.820491
-7.099974
5.646099
other
Lu2Tl1In1
4
225
100.3
mp-976114
-7.350707
-7.451551
2.622327
other
Li2Cd1Hg1
4
225
70.02
mp-865253
-8.543224
-5.121866
3.464805
other
Lu1Mg1Pd2
4
225
72.13
mp-1186207
-6.259247
-1.738162
3.862526
other
Nb2Re1Ru1
4
225
64.88
mp-862917
-8.889853
-6.199856
2.829263
other
Pm1In1Au2
4
225
87.74
mp-862905
-8.889285
-6.152158
2.78782
other
Pm1Ga1Au2
4
225
83.05
mp-1111295
8.227275
0.792013
0.857802
other
K2Tl2F6
10
225
220.05
mp-1185749
-8.218712
-6.038235
2.443919
other
Mg2Ag1Pd1
4
225
69.18
mp-865462
-6.74522
-0.871715
3.867842
other
Mn1V2Os1
4
225
50.94
mp-867179
-7.443907
-7.698056
2.274472
other
Sr1Cd1Hg2
4
225
105.12
mp-726732
8.165706
2.31143
-1.209562
other
V1N3F6
10
225
162.13
mp-30595
-7.985614
-2.57205
3.32519
other
Cu1Sn1Rh2
4
225
58.49
mp-1184099
-8.725262
-5.439555
5.236401
other
Er2Pd1Pt1
4
225
81.69
mp-978500
-6.34789
-1.585179
4.718691
other
Si2Tc1Os1
4
225
52.07
mp-1185418
-8.270564
-3.285923
2.765476
other
Li1Zn1Pt2
4
225
53.56
mp-1186573
-8.665579
-3.046979
3.784177
other
Pm1Ga1Rh2
4
225
71.36
mp-861955
-7.480355
-6.694819
6.206172
other
Li1Pm2Ge1
4
225
96.43
mp-866164
-8.198047
-8.037633
3.460824
other
Y1Mg1Hg2
4
225
90.57
mp-982772
-8.5779
-6.177343
5.638645
other
Pm2Pt1Au1
4
225
94.66
mp-862264
-8.124639
-4.726413
5.317181
other
Sc2Zn1Tc1
4
225
69.98
mp-1187134
-5.011924
-7.441727
3.763021
other
Sr2Ca1Eu1
4
225
192.79
mp-21612
-8.344394
-4.318616
4.347722
other
Mg6Cu16Si7
29
225
388.06
mp-865524
-8.099053
-4.129855
3.409971
other
Y1Cd1Pt2
4
225
76.94
mp-1206014
1.628445
2.794863
-5.541353
other
Cs2V1Cl6
9
225
273.11
mp-1194036
-8.974598
-4.857983
4.180646
other
Hf6Zn16Cu7
29
225
438.86
mp-1184094
-8.637235
-5.722851
5.718637
other
Dy2Cu1Pt1
4
225
82.49
mp-1186336
-8.331182
-6.850974
5.375444
other
Nd1Y1Zn2
4
225
95.03
mp-862952
-8.216965
-2.979838
2.570582
other
Pm1Ni2Sn1
4
225
70.02
mp-867213
-9.08609
-5.769046
6.44188
other
Er2Os1Pd1
4
225
78.36
mp-31171
-8.848989
-6.070593
2.445071
other
Zn2Ag1Au1
4
225
62.15
mp-983460
-6.599156
-6.747376
4.477654
other
Li2Pm1Ga1
4
225
74.82
mp-1187722
-7.823644
-7.343049
5.554294
other
Y2Tl1Hg1
4
225
104.6
mp-865816
-8.079726
-5.335566
2.61553
other
Yb1Pd2Pb1
4
225
80.42
mp-1194407
-7.680417
0.261536
3.465981
other
Co22B6Sb1
29
225
292.15
mp-865019
-8.514692
-2.709538
3.928614
other
Hf1Ga1Rh2
4
225
61.11
mp-4502
-7.12186
-1.719415
2.959514
other
Ta6Si7Ni16
29
225
346.2
mp-1184973
-5.562057
-6.182838
0.75892
other
Li2Tl1Sb1
4
225
87.08
mp-1113827
8.325234
0.54806
0.700989
other
Rb3Pd1F6
10
225
206.2
mp-1184514
-7.861725
-6.822839
6.022428
other
Gd2Cd1In1
4
225
107.67
mp-1184077
-8.127644
-6.081261
5.785434
other
Er2Zn1Ga1
4
225
86.18
mp-1187707
-7.611893
-6.391929
6.465948
other
Y2Al1Cd1
4
225
99.17
mp-23350
1.615832
2.707202
-5.380709
other
Rb2Pt1Cl6
9
225
248.1
mp-4913
-8.360617
-3.290833
4.761019
other
Li1Ga2Rh1
4
225
54.19
mp-1187956
-6.632937
-6.900932
3.525319
other
Yb2Tl1Sn1
4
225
112.88
mp-1184490
-8.249839
-7.004132
3.71263
other
Gd1Mg1Ag2
4
225
86.41
mp-1194264
-7.467957
-3.03459
5.621606
other
Sc6Al16Ni7
29
225
439.93
mp-1008226
-6.900021
-0.688196
3.238692
other
Cr1Fe2Sn1
4
225
54.15
mp-22580
-8.047841
-2.189157
2.962043
other
Zr1Ga1Ni2
4
225
55.62
mp-11400
-8.482989
-2.147027
3.03452
other
Sc1Ga1Ni2
4
225
53.73
mp-636359
-6.872601
-0.754583
3.139876
other
V1Fe2Sn1
4
225
53.05
mp-1184281
-6.338604
-7.172152
3.552251
other
Eu2Tl1Cd1
4
225
123.02
mp-1206146
8.030651
0.712483
1.641902
other
Rb3Dy1F6
10
225
217.83
mp-1185040
-8.900232
-5.574448
6.288072
other
La1Nd1Ir2
4
225
91.69
mp-20149
-7.807187
-8.326316
5.486604
other
Gd1Mg2Ag1
4
225
92.61
mp-1186460
-7.746986
-6.772516
5.711997
other
Pm2Ga1Sn1
4
225
107.11
mp-1192551
-7.706434
-9.576812
6.422241
other
Ce6Mg23Si1
30
225
757.48
mp-540957
-1.297994
3.202566
-2.979387
other
Cs2Te1I6
9
225
417.55
mp-1194507
-7.839818
-1.607026
2.596205
other
Mn6Ni16Ge7
29
225
352.71
mp-631431
-6.183128
-1.335018
3.694072
other
In1Hg1W2
4
225
72.57
mp-1186575
-8.361168
-6.032471
4.188735
other
Pm1Eu1Pd2
4
225
92.49
mp-867958
-7.214789
-1.675029
4.408336
other
Ta1In1Ru2
4
225
63.68
mp-1186936
-7.979772
-4.111368
4.728806
other
Sc2Co1Ni1
4
225
63.25
mp-865568
-5.940031
-1.654946
4.571651
other
Th1Sc1Tc2
4
225
76.65
mp-1186592
-8.925687
-5.589649
6.185318
other
Pm1Ho1Rh2
4
225
81.84
mp-866212
-7.31818
-6.379677
3.323879
other
Yb2Ag1Sn1
4
225
104.39
mp-972272
-9.085548
-6.342047
2.910417
other
Tm1Al1Au2
4
225
77.84
mp-570166
-7.543133
-1.899903
3.013636
other
Zr6Si7Ni16
29
225
368.98
mp-1112376
-0.553551
1.386127
-4.660351
other
Cs3As1Br6
10
225
432.76
mp-865442
-6.980793
-1.595034
4.463115
other
Ti1Al1Os2
4
225
56.5
mp-1187897
-6.343554
-7.189555
4.175341
other
Yb2Mg1Tl1
4
225
115.19
mp-980948
-6.049026
-6.96182
3.734621
other
Sr1Ca1In2
4
225
123.59