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-1186599
-7.278371
-10.78161
5.504397
other
Nd1Mg149
150
187
3,490.34
mp-1186397
-6.346651
-5.724771
5.220311
other
Pa1Cd1
2
187
48.06
mp-1187029
-5.960094
-5.524568
5.460091
other
Sm1Zr1
2
187
55.49
mp-1220272
-4.935596
-4.385492
6.136445
other
Nd2Si3
5
187
117.81
mp-1185504
-5.853812
-3.912243
-1.162698
other
Lu1Te1
2
187
55.13
mp-1224686
0.600853
2.987401
1.52992
other
Fe2N1
3
187
27.91
mp-1094268
-6.23125
-4.378825
3.184645
other
Zr4Sn4
8
187
186.59
mp-1572
-4.806528
-2.68157
-4.026622
other
Ga4Se4
8
187
203.72
mp-1221744
-6.586208
-2.566705
0.986463
other
Mn7Sb4
11
187
186.4
mp-1094588
-7.10308
-11.006101
5.523484
other
Li1Mg5
6
187
131.81
mp-1094321
-6.435415
-10.934875
5.881468
other
Sr1Mg5
6
187
165.19
mp-1094286
-4.979672
-7.515401
3.722369
other
Sr3Mg3
6
187
247.71
mp-604884
3.19086
2.477903
0.594676
other
B2N2
4
187
36.69
mp-1038829
-7.029531
-7.996132
3.050788
other
Mg1Cd1
2
187
42.88
mp-1184337
-7.228781
-10.844839
5.472631
other
Ba1Mg149
150
187
3,501.93
mp-1016269
-8.551982
-11.224959
6.16174
other
Mg7W1
8
187
164.67
mp-1222812
-7.928894
-7.976288
3.000433
other
La1Hg3
4
187
120.85
mp-1219135
-5.694631
-0.656805
3.678606
other
Re3Mo1
4
187
61.29
mp-1023622
-7.398486
-10.914009
5.37674
other
Mg15Ni1
16
187
347.05
mp-1217468
-7.133811
-6.759979
7.096652
other
Tb1Ho1
2
187
64.87
mp-1185632
-7.284106
-10.872447
5.393822
other
Mg149Se1
150
187
3,416.49
mp-1016293
-6.487424
-11.141147
5.872888
other
K1Mg7
8
187
213.69
mp-1220602
-5.519682
-2.793781
3.599136
other
Nb3Si1
4
187
71.37
mp-1219503
-7.590104
-1.440391
3.778547
other
Ru1Rh1
2
187
27.33
mp-1187187
-4.982025
-7.283676
4.257293
other
Sr1Lu1
2
187
77.01
mp-1215200
-5.629957
-3.551893
3.935715
other
Zr1Ti1
2
187
41.19
mp-1185589
-7.324387
-10.783341
5.516778
other
Mg149Nb1
150
187
3,432.26
mp-1009601
0.92078
2.247954
1.210068
other
Pd1N1
2
187
22.69
mp-1226445
-7.46353
-1.070488
3.296066
other
Co3Ge2
5
187
63.84
mp-1094303
-4.875765
-7.491027
3.509172
other
Sr4Mg2
6
187
272.74
mp-1023934
-6.618817
1.518211
-4.048841
other
Mo1Se2
3
187
167.96
mp-1185592
-7.307593
-10.841148
5.426838
other
Mg149Fe1
150
187
3,448.72
mp-1250261
15.665259
5.640017
0.398535
other
Si18O36
54
187
1,117.74
mp-1217417
-6.075586
-1.027923
4.17958
other
Tc3Sn1
4
187
64.7
mp-1185581
-7.346758
-10.796618
5.4294
other
Mg149Cd1
150
187
3,361.35
mp-1226933
-7.733603
-6.816403
2.151912
other
Cd3Ag1
4
187
80.54
mp-1215541
-5.479161
-3.991657
3.797766
other
Zr2U1
3
187
68.26
mp-1184509
-5.615817
-4.016343
-1.212232
other
Gd1Te1
2
187
60.98
mp-1039019
-5.754601
-7.481842
5.548665
original
Mg1Al1
2
187
37.66
mp-1206819
-8.305678
-2.708048
3.736209
other
Zn1Ir1
2
187
27.81
mp-1023478
-7.60685
-10.384979
6.302453
other
Hf1Mg15
16
187
362.45
mp-1226451
-7.105374
-0.206864
3.450868
other
Co3Mo1
4
187
49.32
mp-1217419
-6.099638
-0.981545
4.072775
other
Tc3Mo1
4
187
59.81
mp-1226177
-7.156811
-0.91329
4.079566
other
Cr1Ru1
2
187
25.92
mp-1217324
-6.781151
-4.845736
5.327532
other
Th2Ge3
5
187
125.92
mp-672271
-4.530469
-1.016746
-3.051786
other
Nb4Se8
12
187
299.59
mp-1224335
-8.361234
-5.810498
2.046668
other
Ge1Au3
4
187
73.56
mp-1025576
-8.883806
1.685901
-3.32136
other
Te6Mo3
9
187
346.9
mp-999549
0.290457
2.177526
2.030526
other
W1N2
3
187
28.74
mp-1039117
-6.438204
-10.588838
5.914714
other
Ca1Mg3
4
187
109.51
mp-1217906
-7.212209
-1.637433
4.190155
other
Ta1Os3
4
187
61.15
mp-1215497
-9.141078
-5.987246
2.874427
other
Zn3Ag1
4
187
60.08
mp-1183040
-3.560299
-3.244948
-2.837376
other
Zr1Se1
2
187
40.22
mp-1094627
-6.697307
-9.611252
4.885714
other
Mg3Ga3
6
187
125.2
mp-1217621
-7.076524
-6.75215
7.16763
other
Tb3Pr1
4
187
135.51
mp-1216561
-6.84565
-4.68324
5.410799
other
Tm2Ge3
5
187
114.96
mp-1225502
-7.221165
-6.865183
7.234928
other
Dy1Ho1
2
187
64.18
mp-984695
-6.730936
-7.060465
7.10515
other
Pm1Y1
2
187
69.84
mp-1038878
-7.755811
-9.038863
6.253754
other
Ce1Mg3
4
187
93.85
mp-1220343
-6.451259
-2.072241
3.361502
other
Nb1Ni1
2
187
29.19
mp-1220730
-6.858217
-6.742576
7.09736
other
Nd3Pu1
4
187
121.31
mp-1222405
-7.491712
-7.0488
2.665259
other
Li1Cd3
4
187
80.55
mp-643063
-4.630365
-0.970479
-2.968463
other
Nb4Se8
12
187
281.77
mp-1217116
-5.044549
-2.571475
2.990269
other
Ti3Se1
4
187
70.32
mp-975591
-6.62835
-6.437415
6.662428
other
Nd1Hf1
2
187
55.42
mp-1216823
-6.47816
-3.719619
3.831814
other
U2Ge3
5
187
107.87
mp-1225381
-5.771001
-4.889102
4.677683
other
Er1Zr1
2
187
53.41
mp-1185153
-6.165882
-5.221778
2.499326
other
K1Pt1
2
187
41.69
mp-1225278
-7.179312
-6.710215
6.965153
other
Dy1Er1
2
187
62.68
mp-1183229
-8.341595
-3.065668
3.393288
other
Ag1Ir1
2
187
32.22
mp-1185056
-5.880914
-7.193914
5.422186
other
K1Sm1
2
187
84.31
mp-1014138
-4.332418
0.117769
3.073605
other
Zr2B2
4
187
59.23
mp-1185595
-7.282115
-10.78525
5.494842
other
Lu1Mg149
150
187
3,472.45
mp-1187387
-5.806689
-4.810935
3.60166
other
Tb1Pu1
2
187
64.11
mp-1094746
-6.176382
-10.769796
5.804285
other
Sr1Mg3
4
187
120.69
mp-1225617
-6.853598
-4.448696
5.296811
other
Er2Ge3
5
187
116.34
mp-1216624
-8.18201
-8.109934
3.077298
other
U1Hg3
4
187
94.86
mp-1224874
-4.7139
-4.541939
6.088252
other
Gd2Si3
5
187
109.81
mp-1023568
-6.716826
-11.093419
5.913071
other
Cs1Mg15
16
187
410.81
mp-1009551
-3.250273
-2.193229
-5.522264
other
Pb1S1
2
187
54.87
mp-1219540
-5.484773
-0.738187
3.76088
other
Re3Pt1
4
187
60.62
mp-1094920
-8.869703
-6.424414
3.382484
other
Mg1Zn3
4
187
67.39
mp-1219764
-5.551474
-4.309999
3.713176
other
Pu1Zr2
3
187
64.32
mp-1183293
-4.950457
-7.259298
4.222102
other
Ba1Pm1
2
187
88.92
mp-1185627
-7.335156
-10.822948
5.436083
other
Mg149Mn1
150
187
3,414.28
mp-1094438
-7.615911
-10.82629
4.922338
other
Mg4Zn2
6
187
120.78
mp-1186915
-5.7317
-0.989279
4.074278
other
Re1Tc1
2
187
29.07
mp-1008661
-4.487826
-5.152283
2.156682
other
Au1C1
2
187
26.78
mp-977206
-6.765886
-7.065999
6.114379
other
Na1Tm1
2
187
63.47
mp-1094782
-8.061047
-9.608753
4.419074
other
Mg1Zn1
2
187
36.95
mp-1184549
-6.628228
-5.866004
4.739747
other
Hf1Tl1
2
187
46.97
mp-1183669
-7.387044
-6.70816
2.46982
other
Cd1In1
2
187
49.29
mp-1186411
-5.559266
-4.168432
4.191542
other
Pa1Ta1
2
187
43.89
mp-1184449
-7.263663
-10.820415
5.458918
other
Ca1Mg149
150
187
3,464.5
mp-1215201
-6.027356
-4.385411
4.34941
other
Zr1Sc1
2
187
48.11
mp-1894
-4.719282
-0.011483
3.016181
other
W1C1
2
187
20.92
mp-1217414
-5.973571
-0.957113
3.918071
other
Tc3Pd1
4
187
58.8
mp-1009646
0.350105
1.949249
2.352454
other
Re1N1
2
187
20.49
mp-1016256
-7.733648
-10.037831
6.565503
other
Hf1Mg7
8
187
180.14
mp-1186653
-6.995319
-7.162633
7.277463
other
Pm1Tm1
2
187
66.6