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-1207159
8.17942
0.609876
1.098508
original
Cs3Eu1F6
10
139
257.22
mp-19196
7.404925
10.835143
1.764398
other
La4Co3O10
17
139
212.66
mp-14883
-3.24169
-1.697462
-5.437483
other
Ba4Zr3S10
17
139
457.9
mp-1025349
9.97274
9.353522
3.759713
other
Sr2Zr1O4
7
139
111.97
mp-1207365
-5.979787
-2.188194
1.380774
other
Cs1P2Ir2
5
139
113
mp-31202
-5.299505
-4.458241
5.110836
other
Pr1Si2Au2
5
139
96.06
mp-1147775
9.412161
10.528399
1.179147
other
Ba2Os1O4
7
139
110.53
mp-13467
-8.032237
-4.538827
3.39482
other
Ce1Ge2Pd2
5
139
95.34
mp-755756
11.301404
8.058873
2.932569
other
Y2Te1O2
5
139
95.9
mp-1210207
-7.779531
-5.072335
4.926588
other
Nd4Ga18Ni1
23
139
460.5
mp-8861
8.434222
0.644093
1.517904
other
Rb2Mg1F4
7
139
112.65
mp-1079782
4.130585
3.924223
-3.621259
other
Cu1N6Cl2
9
139
119.7
mp-1025200
10.4793
10.0925
3.131294
original
Eu2Ti1O4
7
139
93.44
mp-4395
-6.906841
-4.374112
5.291727
other
Tb2Sc2Ge2
6
139
139.96
mp-2615276
8.695866
10.015908
1.633309
other
Sr2Co1O3
6
139
92.51
mp-2459069
8.782656
1.779054
1.271496
other
Zr1Cr1F6
8
139
145.67
mp-573563
-5.692144
-0.773475
1.389861
other
Sm1Co2P2
5
139
71.38
mp-23697
3.365194
-0.617044
-2.47899
other
K3Al1H6
10
139
158.29
mp-1246711
1.644636
1.870605
1.145549
other
Ca2Cd1N2
5
139
88.04
mp-10498
8.94936
9.613544
2.369329
other
Pr2Cu1O4
7
139
93.85
mp-21080
-7.709657
-4.386575
3.267498
other
La1Ni2Sn2
5
139
102.67
mp-5852
-5.698609
-2.365964
5.680074
other
Pr1Si2Os2
5
139
88.09
mp-1247156
0.411416
2.615144
1.742039
other
Co1Ni2N2
5
139
45.25
mp-3566
-5.772593
-2.525861
5.798742
other
Ce1Si2Ru2
5
139
85.44
mp-1206409
-5.750712
-0.740268
1.630916
other
K1Fe2P2
5
139
88.97
mp-1206979
-3.581775
-1.678578
-5.52391
other
Tl2Co1S2
5
139
159.93
mp-1226889
-8.050653
-0.211545
4.361677
other
Ce1Mn4Co8
13
139
167.88
mp-30177
-6.64762
-1.893894
5.858432
other
Y1Al8Cr4
13
139
200.99
mp-1206858
-5.887744
-1.50789
1.744291
other
Rb1P2Ru2
5
139
107.37
mp-754976
9.528769
8.503569
-0.365142
other
Cs2Be1O2
5
139
127.3
mp-4090
-5.68634
-3.126361
5.70222
other
Ce1Si2Rh2
5
139
84.67
mp-7615
8.23698
0.719609
0.825823
other
Rb3Tl1F6
10
139
240.27
mp-38494
-3.475994
-4.27063
-3.354342
other
Y4As1Se3
8
139
192.88
mp-1213703
1.206603
2.478508
-6.007361
other
Cs3Ca2Cl7
12
139
409.75
mp-12063
-7.870313
-6.083254
4.03366
other
Ce1Ag2Ge2
5
139
103.75
mp-571500
-6.00361
1.502224
4.099007
other
Ho1Fe2B2
5
139
57.62
mp-569247
-5.729873
-1.488016
5.063613
other
Zr1Fe2Si2
5
139
67.74
mp-21408
-5.685361
-2.302927
5.678189
other
Gd1Si2Os2
5
139
84.46
mp-1070601
11.235894
8.245664
2.894903
other
La2Bi1O2
5
139
117.9
mp-669918
-8.026847
-2.500849
3.41258
other
V1Sn1Rh2
4
139
62.29
mp-16259
-7.96542
-2.815385
4.399754
other
Ca1Ge2Ir2
5
139
89.94
mp-569302
-5.772858
-2.439953
5.88798
other
Gd1Si2Ru2
5
139
83.78
mp-27469
2.113495
1.937881
1.636513
other
Th2Bi1N2
5
139
117.44
mp-1208192
-7.910058
-6.432449
6.520976
other
Tm12In2Fe3
17
139
429.97
mp-3148
-5.424838
-3.900743
4.724989
other
Dy1Si2Pt2
5
139
86.82
mp-1206529
-5.794806
-2.195028
1.201122
other
Rb1P2Ir2
5
139
106.64
mp-2893
-5.787283
-2.99736
5.764915
other
Dy1Si2Rh2
5
139
80.98
mp-20670
-7.304395
-1.742253
5.475757
other
Yb1Mn2Ge2
5
139
85.98
mp-1207217
11.038113
8.721425
1.972738
other
Rb2Pu1O4
7
139
129.25
mp-1071623
-8.54822
-5.560666
2.60396
other
Cu2Sn2Au2
6
139
113.39
mp-4487
-7.187391
-1.723908
5.72204
other
Er1Mn2Ge2
5
139
89.54
mp-1218889
-5.339653
-3.981089
4.621268
other
Sr1Si2Pt2
5
139
94.94
mp-1025274
11.03126
8.432871
1.528849
other
Cs2Np1O4
7
139
142.13
mp-7877
-4.857905
-4.332178
5.390699
other
Sr1Cu2Si2
5
139
86.15
mp-1077954
-8.877268
-6.076671
2.735337
other
Ce1Zn2Au4
7
139
131.36
mp-1206830
-6.355344
-2.243235
0.915225
other
Cs1Co2As2
5
139
107.45
mp-567375
-6.009924
-4.029575
0.782539
other
Ce1As2Pd2
5
139
96.51
mp-28687
-5.286249
-3.88141
0.76296
other
U2Cu4As5
11
139
193.64
mp-27942
8.292807
7.872315
-2.439967
other
Pb2Cl1O2
5
139
103.03
mp-19857
-4.42483
-3.110132
0.937801
other
Ba1Mn2P2
5
139
94.56
mp-1025334
3.283073
-0.770223
-2.544903
other
Cs2Tm1H4
7
139
156.73
mp-6983
8.616006
9.352249
-0.32241
other
Na4Ag4O4
12
139
203.03
mp-1206379
-7.915136
-2.200337
2.68293
other
Co1Sb1Rh2
4
139
59.58
mp-1219585
1.762192
2.444638
-3.44642
other
Rb1I4N3
8
139
282.35
mp-28453
-1.257748
3.156048
-3.122913
other
Cs2Au2I6
10
139
431.29
mp-1071588
2.864273
-0.445633
-1.708278
other
Zr2H3Pd1
6
139
68.9
mp-6979
-2.831943
-3.325376
-4.242518
other
Th2Ge2S2
6
139
135.02
mp-1211922
-6.204848
-6.550673
3.089184
other
K1In2Ga2
5
139
126.57
mp-30147
-5.421782
-2.791163
2.744845
other
Zr2Ti2As2
6
139
106.43
mp-567749
-5.661913
-2.337484
5.689882
other
Y1Si2Os2
5
139
83.61
mp-4793
-5.568879
-3.641331
4.997014
other
U1Si2Pd2
5
139
86.06
mp-571485
-5.704286
-4.113177
4.918161
other
Tm1Si2Pd2
5
139
83.29
mp-1222499
8.140525
13.433439
-1.132095
other
Li1Co3O4
8
139
75.82
mp-4939
-5.503621
-1.88808
5.636203
other
Dy1Fe2Si2
5
139
73.91
mp-1214822
-8.078954
-0.905672
3.510702
other
Al1Co2Ni1
4
139
45.29
mp-1213020
-6.111799
-5.652308
4.893252
other
Cs1La1W2
4
139
101.21
mp-754360
5.499562
10.625928
-2.046698
other
Li3Fe1O4
8
139
70.39
mp-1212916
7.784301
8.583454
-0.326468
other
Eu3Al2O7
12
139
135.81
mp-5451
-7.419918
-0.8051
5.369217
other
Er1Fe2Ge2
5
139
81.8
mp-35417
10.135671
12.177478
1.499495
other
Li3Ta1O4
8
139
74.34
mp-1207708
-7.327397
0.454842
5.049628
other
Y1Al4Fe8
13
139
178.11
mp-3897
-2.458609
-0.586081
-5.229683
other
Sm8P8S32
48
142
1,136.87
mp-1196935
-7.753543
0.009089
4.524874
other
U4B16Os16
36
142
430.74
mp-4672
-2.496368
-0.647692
-5.209602
other
Tb8P8S32
48
142
1,101.36
mp-1201480
-7.532572
-4.719975
3.039221
other
Dy20Co24Sn72
116
142
2,575.93
mp-28018
8.874737
1.197116
-3.960837
other
Be16H64N32
112
142
837.26
mp-28924
-8.287094
-2.687097
4.79911
other
Ga32B4Ir16
52
142
791.57
mp-1197448
-8.389894
-0.16754
4.916986
other
Tm4B16Ru16
36
142
412.15
mp-560608
-2.624063
-2.817118
-5.428965
other
Nd40S56O4
100
142
2,302.87
mp-3954
-2.422899
-0.588864
-5.252991
other
Pr8P8S32
48
142
1,182.07
mp-1194910
5.577427
-0.241193
-3.05718
other
Mn4B8H32
44
142
358.72
mp-1200533
-8.429588
-0.282605
4.937773
other
Yb4B16Ru16
36
142
417.49
mp-1203536
-7.524946
-4.678788
3.026372
other
Ho20Co24Sn72
116
142
2,550.34
mp-752581
9.676129
9.340532
3.8188
other
Sr8Hf4O16
28
142
422.55
mp-567799
-5.207332
-5.947644
0.712575
other
Ca56Al4Sb44
104
142
3,151.61
mp-1196177
-2.499442
-0.660118
-5.248011
other
Gd8P8S32
48
142
1,117.37
mp-568798
-5.25919
-5.912964
0.732121
other
Ca56Mn4Sb44
104
142
3,122.97
mp-757102
7.465816
10.503652
0.924223
other
Sr8Rh4O16
28
142
384.78
mp-1211309
-8.274121
-0.253146
4.920798
other
Th8B16Ru16
40
142
584.05
mp-5036
-2.436609
-0.668745
-5.166911
other
Er8P8S32
48
142
1,076.43