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-1186123
-7.695314
-6.974286
2.42485
other
Na1Cd2Ag1
4
225
87.27
mp-570547
-8.038647
-2.018321
3.117771
other
Sc6Ni16Ge7
29
225
393.35
mp-1187376
-8.849997
-5.412933
6.097094
other
Tb1Sm1Rh2
4
225
82.28
mp-977204
-5.552375
-6.6245
1.105428
other
Na1Tl2Sb1
4
225
120.3
mp-631489
-3.208462
-3.924333
1.317317
other
Be2Cd1P1
4
225
56.47
mp-977475
-8.478953
-4.779865
2.970581
other
Zr1In1Pd2
4
225
71.4
mp-1184085
-8.705717
-5.690215
5.521657
other
Er2Ag1Pt1
4
225
85.1
mp-1185092
-8.72082
-6.559447
4.565204
other
La1Zn2Ag1
4
225
84.94
mp-1184889
-6.281109
-3.228049
3.647189
other
Ho1Pu1Os2
4
225
77.7
mp-1113831
8.310615
0.962165
0.648667
other
Rb3Ir1F6
10
225
203.25
mp-1113825
8.489315
1.313885
0.809711
other
Rb3Ru1F6
10
225
192.6
mp-4552
-9.165266
-5.062405
4.315174
other
Er1In1Cu2
4
225
71.72
mp-1184062
-7.808138
-7.204122
5.67238
other
Dy2Tl1Zn1
4
225
98.56
mp-863760
-5.86592
-3.910275
-1.751002
other
Cs1Ac1Te2
4
225
151.05
mp-864884
-8.181828
-8.213618
3.33385
other
Dy1Cd1Hg2
4
225
90.82
mp-977557
-8.64164
-5.381853
3.26348
other
Nd1Cd1Pd2
4
225
83.62
mp-1187612
-7.693707
-6.788182
3.528501
other
Yb1Cd2In1
4
225
97.29
mp-862846
-7.846338
-7.949441
3.806856
other
Ca1La1Hg2
4
225
112.7
mp-864906
-8.04293
-2.584019
3.489572
other
Mg1Sn1Ir2
4
225
63
mp-1183573
-7.253749
-6.944055
4.17699
other
Ca1Yb1Cd2
4
225
111.79
mp-978911
-8.245416
-7.719386
4.473059
other
Tb1Y1Hg2
4
225
101.88
mp-1194177
-7.969322
-0.507078
2.486445
other
Ta3Ni20B6
29
225
288.78
mp-862778
-7.3541
-1.710554
4.627016
other
Al1Si1Ru2
4
225
50.65
mp-977424
-6.632089
-6.884096
3.827641
other
Yb2Zn1Pb1
4
225
107.25
mp-1183147
-7.459168
-1.406106
4.303751
other
Al2Fe1Rh1
4
225
49.54
mp-1194450
-7.711351
-3.217027
5.21396
other
Ti6Al16Rh7
29
225
445.88
mp-1184618
-7.906136
-7.24631
5.611027
other
Ho2Tl1Hg1
4
225
102.09
mp-867768
-8.226948
-3.895769
3.313462
other
Sc1Zn1Pt2
4
225
63.76
mp-865593
-8.830464
-5.976965
6.535736
other
Lu2Ga1Tc1
4
225
80.39
mp-1110880
1.403162
2.449934
-5.774033
other
K3Sb1Cl6
10
225
357.15
mp-865609
-8.529476
-2.857691
3.850287
other
Lu1Ga1Rh2
4
225
62.91
mp-5181
-8.498066
-4.907001
2.751524
other
Lu1Sn1Pd2
4
225
73.97
mp-862931
-8.547095
-2.936623
3.582695
other
Er1Sn1Rh2
4
225
70.92
mp-1185330
-8.542138
-6.442465
5.798218
other
Li1Er2Au1
4
225
91.64
mp-31170
-8.258118
-6.411646
2.112091
other
Cd2Ag1Au1
4
225
75.39
mp-1186679
-8.681422
-3.159378
3.795556
other
Pm1Zn1Rh2
4
225
70.85
mp-1187845
-8.284496
-7.732634
4.567773
other
Y1Ho1Hg2
4
225
100.41
mp-981311
-7.16462
-7.810273
2.32559
other
Sr1Tl1Hg2
4
225
111.43
mp-972241
-6.115555
-1.578968
3.996158
other
Ti2Re1Tc1
4
225
59.58
mp-865160
-7.921647
-2.258173
3.871524
other
Mg1Ge1Ir2
4
225
56.45
mp-1112373
1.536536
2.707134
-5.881718
other
Cs3As1Cl6
10
225
385.81
mp-1184262
-8.822835
-5.940565
5.191711
other
Er1Tm1Cu2
4
225
78.26
mp-12801
-8.831295
-4.488861
3.11946
other
Co1Cu2Sn1
4
225
55.67
mp-864674
-7.749992
-6.006007
6.515559
other
Ho2Al1Zn1
4
225
89.71
mp-1183458
-6.723529
-7.31549
3.444924
other
Ca2Cd1Hg1
4
225
108.5
mp-1111505
9.42382
1.842438
1.50338
other
Na3V1F6
10
225
140.43
mp-983154
-8.149098
-6.524491
6.166276
other
Pm2Zn1Pt1
4
225
93.41
mp-865757
-8.506439
-3.10279
3.861155
other
Yb1Ga1Rh2
4
225
63.09
mp-1183688
-7.403967
-1.379571
4.147401
other
Cr1Ga1Ru2
4
225
53.12
mp-865836
-8.360438
-4.280476
4.676382
other
Yb1Pa1Rh2
4
225
78.93
mp-865918
-6.982827
-6.49663
3.574013
other
Yb2Cd1Sn1
4
225
110.06
mp-1205535
8.988616
1.639681
1.276221
other
Tl3V1F6
10
225
197.47
mp-1186107
-6.79481
-4.893037
0.846268
other
Na1Bi1Pd2
4
225
77.87
mp-982666
-6.778684
-1.604566
5.443616
other
Li1Al2Tc1
4
225
56.48
mp-983581
-8.9582
-5.514788
5.832378
other
Er2Pd1Rh1
4
225
79.31
mp-978517
-8.699206
-5.404061
3.256224
other
Sm1Cd1Pd2
4
225
79.45
mp-1112338
-0.486887
1.202479
-4.742488
other
Cs2In2Br6
10
225
382.17
mp-1111071
9.023074
1.633569
0.821677
other
Li3Ir1F6
10
225
124.57
mp-1193830
-8.805798
-0.517951
2.458758
other
Er2Ni21B6
29
225
301
mp-30570
-7.087
-0.265591
3.738365
other
Cr1Ga1Fe2
4
225
46.15
mp-862629
-8.40716
-2.970912
3.400836
other
Sc1Rh2Pb1
4
225
69.06
mp-865893
-6.265275
-3.083996
4.128647
other
Li1Zr2Tc1
4
225
72.05
mp-980662
-7.484677
-5.801995
6.602283
other
Y1Tm1Al2
4
225
90.62
mp-983598
-5.46781
-6.300765
1.039515
other
Ca2Ag1Bi1
4
225
113.26
mp-1185622
-7.570561
-4.660176
4.07011
original
Mg1Zr1Zn2
4
225
69.78
mp-976333
-6.582239
-7.319703
3.969719
other
Li2Ac1Tl1
4
225
97.43
mp-1183530
-7.307326
-7.664329
3.045446
other
Ca1Eu1Hg2
4
225
111.59
mp-1186938
-8.487026
-5.802468
4.150289
other
Sc2Cd1Au1
4
225
81.89
mp-971739
-8.282305
-3.059537
2.958488
other
Zn1Cu1Pt2
4
225
54.96
mp-971754
-5.873612
-0.617952
3.432585
other
V2Re1W1
4
225
56.57
mp-1111288
1.549539
2.532138
-5.23553
other
Li3In1Cl6
10
225
252.93
mp-688151
2.41521
2.887207
-4.192246
other
V1N2Cl6
9
225
229.54
mp-865050
-8.435599
-3.110407
3.914106
other
Hf1Mg1Rh2
4
225
63.14
mp-1187878
-8.122402
-6.974591
5.293402
other
Y1Tm1Cd2
4
225
101.45
mp-1113824
8.380688
0.840127
0.449695
other
Rb3Rh1F6
10
225
189.2
mp-980071
-7.631721
-7.345182
5.635609
other
Tm1Lu1Tl2
4
225
102.41
mp-1187922
-8.180788
-2.665959
3.523402
other
Zn1In1Rh2
4
225
59.91
mp-1111000
8.545116
0.892753
0.689311
other
Na3Tl1F6
10
225
167.61
mp-20567
-8.234953
-2.628013
5.179434
other
Li1Ga2Ru1
4
225
54.06
mp-867278
-6.007994
-1.618332
4.397341
original
Dy1Pa1Tc2
4
225
79.47
mp-1187431
-7.068496
-2.43905
4.103779
other
Ti2Cu1Ir1
4
225
58.51
mp-697030
3.155591
-0.68341
-2.11054
other
Mg2H6Ru1
9
225
71.71
mp-1184835
-8.666977
-6.755815
4.692376
other
Ho1Tm1Ag2
4
225
91.23
mp-1185463
-8.761652
-6.112385
6.470209
other
Lu2Cd1Tc1
4
225
85.48
mp-1185621
-9.136202
-4.168816
3.661783
other
Mg1Zn2Ir1
4
225
57.79
mp-861594
-7.714239
-7.193147
5.68338
other
Pr2Tl1Cd1
4
225
118.61
mp-1404693
10.734058
11.096811
-2.769456
other
Re1W1O6
8
225
112.6
mp-865119
-7.957827
-8.01486
3.621124
other
Na1Pr1Hg2
4
225
103.45
mp-1184594
-6.660815
-2.654563
4.313785
other
Hf2Tc1Pd1
4
225
69.83
mp-1184079
-8.716801
-6.42053
4.960387
other
Dy1Sc1Zn2
4
225
81.77
mp-1187940
-6.385709
-3.01876
4.180371
other
Zr2Cu1Re1
4
225
72.03
mp-1184890
-8.031088
-2.972389
5.311445
other
Ho1Pa1Ru2
4
225
78.68
mp-1110879
1.206913
2.196005
-5.77746
other
K3Sc1Cl6
10
225
325.98
mp-1206492
1.220067
2.506547
-6.097374
other
Cs3Ho1Cl6
10
225
421.4
mp-867321
-7.732521
-7.845059
3.127819
other
Ac1In1Hg2
4
225
111.49
mp-34418
8.378458
2.000918
-0.614397
other
Ag1P1F6
8
225
132.97
mp-867914
-8.236624
-6.898169
3.629983
other
La1Mg1Ag2
4
225
94.28
mp-862546
-8.078376
-4.284965
4.959781
other
Sc2Al1Ru1
4
225
71.06
mp-1209053
1.568826
2.352993
-3.553415
other
Re1Br6N2
9
225
276.49
mp-861736
-6.957562
-4.288582
0.882176
other
Li1Sb1Pd2
4
225
63.17