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-1183311
-6.552723
-6.604398
6.241734
other
Ba1La3
4
221
163.15
mp-11555
-6.278365
-3.95243
3.350227
other
Pu1Ru1
2
221
35.03
mp-8454
8.325296
0.876039
1.419811
other
K1F1
2
221
34.61
mp-569775
-6.514316
-3.31601
5.560828
other
Zr1Al3
4
221
68.02
mp-1180
-7.590265
-2.19297
2.71877
other
Mn1Pt3
4
221
59.82
mp-214
-7.343438
-2.572692
4.577973
other
Zr1Ru1
2
221
34.71
mp-1001913
-6.932603
-5.73557
3.63855
other
Ho1Bi1
2
221
58.55
mp-1183314
-4.641931
-7.324946
3.479213
other
Ba3Ca1
4
221
244.72
mp-1184993
-7.166926
-6.472753
6.186405
other
La3Ag1
4
221
126.47
mp-1184995
-7.080225
-6.455014
6.168129
other
La3Cd1
4
221
130.52
mp-1913
-8.06975
-3.200133
2.425556
other
Er1Pt3
4
221
67.59
mp-980063
-7.134174
-6.997148
7.207225
other
Yb1Dy3
4
221
129.3
mp-1067281
-4.052784
-6.874676
1.735715
other
Rb3Pt1
4
221
166.27
mp-11276
-6.555601
-1.677431
3.665493
original
Be1Rh1
2
221
21.21
mp-20120
-5.367926
-1.652741
-3.065755
other
Fe1Se1
2
221
28.21
mp-1059
-8.047394
-6.836102
5.611982
other
Nd1Cd1
2
221
56.83
mp-1186269
-6.941952
-6.811618
7.271361
other
Nd3Hf1
4
221
125.04
mp-974370
-8.100761
-1.912777
3.249779
other
Pt1Rh3
4
221
56.64
mp-1921
-5.352376
-4.346189
-0.196142
other
Th1Te1
2
221
57.82
mp-1187700
-7.110365
-1.341868
4.886051
other
U1Mn3
4
221
55.56
mp-1184065
-7.195374
-6.862596
7.253927
other
Dy3Ho1
4
221
125.99
mp-2403
-8.030929
-3.203822
2.430841
other
Y1Pt3
4
221
68.94
mp-30728
-8.119072
-6.54455
5.791946
other
Ho1In1
2
221
51.81
mp-972539
-7.136704
-6.864127
7.301185
other
Sm3Er1
4
221
132.03
mp-1185482
-7.302401
-6.725172
7.04856
other
Lu3Np1
4
221
112.82
mp-1184571
-5.845407
-5.54169
2.967557
other
Hg1Ge3
4
221
84.92
mp-20344
-7.191208
-0.121645
3.298718
other
Fe3Ge1
4
221
49.05
mp-1186505
-6.758482
-6.984008
6.955764
other
Pm3Hf1
4
221
122.96
mp-974865
-6.922956
-6.83835
7.204166
other
Nd1Y3
4
221
135.14
mp-2060
-7.199263
-7.397709
4.444838
other
Lu1Tl3
4
221
103.03
mp-21430
-6.455418
-6.934596
2.85008
other
Yb1Pb3
4
221
118.87
mp-1187519
-6.219563
-7.156589
1.966998
other
Tl3Cu1
4
221
104.95
mp-30338
-7.396124
-6.408056
6.619765
other
Y3Al1
4
221
110.11
mp-1018849
0.542143
2.363175
1.855575
other
Os3N3
6
221
67.16
mp-1185031
-3.9753
-7.003204
1.953031
other
K3Zn1
4
221
200.07
mp-1186928
-7.340494
-4.079622
1.069489
other
Sb1Pd3
4
221
65.28
mp-1183939
-4.577076
-7.145219
3.046854
other
Cs1Ba3
4
221
288.07
mp-971758
-8.636048
-1.453111
2.610928
other
Zn1Ni3
4
221
44.04
mp-11309
-7.422178
-6.887115
3.378441
other
Nb1Cd3
4
221
80.61
mp-2027
-7.156729
-3.090546
4.455936
other
Hf1Co1
2
221
31.65
mp-1187508
-8.324439
-6.140164
2.225569
other
Tl1Au3
4
221
80.96
mp-1184547
-5.333327
-3.63437
3.503589
other
Hf3Se1
4
221
81.66
mp-1039154
-6.110008
-6.008604
0.465071
other
Mg1Bi1
2
221
53.66
mp-974617
-7.367719
-7.2081
1.859348
other
Hg3Pd1
4
221
83.16
mp-1187128
-4.815844
-7.293311
3.561566
other
Sr3Ni1
4
221
144.54
mp-1184551
-7.322442
-7.308372
1.833666
other
Hg3Pt1
4
221
81.99
mp-2134
-6.952899
-4.243174
6.459358
other
Er1Al3
4
221
74.2
mp-1186922
-5.164741
-4.388383
3.486566
other
Rb1U3
4
221
95.25
mp-20263
-6.129344
-6.975626
3.861271
original
Ca1In1
2
221
56.77
mp-1184975
-6.883852
-6.352347
6.122475
other
La3Zn1
4
221
122.29
mp-30468
-6.167892
-5.035663
2.132212
other
Th1Bi1
2
221
61.33
mp-398
-7.725408
-4.578618
5.64497
other
Er1Ga3
4
221
74.72
mp-974335
-7.739472
-1.614355
3.606999
other
Ru1Rh3
4
221
54.85
mp-1184864
-3.817641
-7.153943
2.154427
other
K3Ba1
4
221
282.67
mp-1185343
-6.396266
-6.203439
5.784944
other
Li1Ce3
4
221
106.35
mp-902
-5.323205
-6.944463
3.321375
other
Ba1Zn1
2
221
67.84
mp-21991
-5.281622
-1.075336
-3.861893
other
Rh34S30
64
221
983.85
mp-8102
0.383807
2.098222
2.298526
other
W3N4
7
221
75.54
mp-975383
-4.665326
-7.373244
3.472313
other
Rb1Ca3
4
221
198.31
mp-1008274
-6.972752
-0.247442
3.541207
other
Co3W1
4
221
45.38
mp-21845
-8.420053
-3.944109
2.27735
other
Fe1Pd3
4
221
57.72
mp-1186587
-7.083519
-6.985458
7.261755
other
Pm1Ho3
4
221
127.52
mp-20369
-7.874125
-5.779397
4.712876
other
Ce1In3
4
221
103.49
mp-980001
-7.082642
-6.989964
7.261004
other
Yb1Pr3
4
221
144.22
mp-12981
1.965255
1.704634
2.093531
other
Sc1N1
2
221
21.75
mp-1150
-8.304612
-2.736491
3.933544
other
U1Rh3
4
221
63.84
mp-535
-7.042673
0.86356
3.934201
other
Fe4N1
5
221
49.58
mp-1096825
-3.186483
1.558708
2.862362
other
B6Pb1
7
221
75.25
mp-1094802
-6.550426
-6.160731
2.075285
other
Mg1Sn3
4
221
101.87
mp-974866
-4.057723
-7.034788
1.700962
other
Rb3Na1
4
221
309
mp-1184963
-6.550592
-7.163902
6.8855
other
K1Pm3
4
221
152.34
mp-2197
-5.811745
-7.357442
2.761342
other
Ba1Hg1
2
221
72.97
mp-978273
-7.326156
-10.749486
4.94172
other
Mg3Cd1
4
221
85.54
mp-11231
-6.912343
-4.280201
6.469956
other
Y1Al3
4
221
76.23
mp-11455
-7.966282
-3.922306
3.407409
other
Hf1Pt1
2
221
36.92
mp-1187214
-5.235674
-3.288437
3.536949
other
Ta3Pb1
4
221
77.63
mp-636331
-6.623778
-1.2664
3.732763
other
V3Pt1
4
221
56.39
mp-974457
-7.529282
-1.51141
4.207333
other
Ru3I1
4
221
63.04
mp-702
-8.015194
-7.05906
4.185512
original
Ce1Hg1
2
221
56.69
mp-1064459
-3.771215
-4.203722
0.985605
other
P1Br1
2
221
40.62
mp-11843
-7.504294
-5.883322
6.639031
other
Dy1Al1
2
221
46.02
mp-1039073
-6.87108
-8.958094
2.347613
other
Mg3Bi1
4
221
96.26
mp-1002229
2.193112
1.643584
2.08615
other
Er1N1
2
221
26.04
mp-1187043
-6.604088
-5.978663
1.851733
other
Sn3Se1
4
221
106.62
mp-862864
-6.183977
-5.150239
4.906492
other
Pa3Ge1
4
221
89.59
mp-2558
-7.928418
-8.3888
6.904084
other
Sm1Mg1
2
221
57.18
mp-1100771
-6.820129
-7.375548
3.663732
other
Ti1Tl3
4
221
97.37
mp-33029
9.51885
8.478607
3.022512
other
Nd2O3
5
221
91.19
mp-1018734
0.765061
2.289129
1.611654
other
Ir3N3
6
221
69.13
mp-1008554
-6.519218
-1.99313
6.029988
other
Al3V1
4
221
59.56
mp-2636
-7.697829
-8.378268
6.638001
other
Gd1Mg1
2
221
56.21
mp-22875
-0.025368
1.561806
-4.542762
other
Tl1Br1
2
221
64
mp-1006883
-8.689167
-0.451947
3.417407
other
Co1Ni1
2
221
22
mp-1183793
-5.805221
-5.728258
5.567527
other
Dy1Pa3
4
221
104.02
mp-568319
-3.51895
1.74536
2.970308
other
Dy1B6
7
221
68.1
mp-13098
2.288066
1.644289
2.107053
other
Y1N1
2
221
27.23
mp-1056920
-0.911194
2.975142
-3.350654
other
Cs1I1
2
221
101.53
mp-1187037
-6.755554
-6.170855
1.779743
other
Sn3Sb1
4
221
112.16
mp-978802
-7.66394
-6.707159
6.897536
other
Sm3Pd1
4
221
110
mp-971761
-3.988997
-4.867435
5.696783
other
Zn1Si3
4
221
60.71