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-5577
-8.012218
-2.980507
4.472208
other
Ce1Ge2Rh2
5
139
91.05
mp-20933
-7.873875
-2.532191
5.010182
other
Ce1Co2Ge2
5
139
82.63
mp-3125
8.649071
0.874316
1.352232
other
K3Zn2F7
12
139
173.02
mp-1211033
-8.121763
-6.345622
6.454596
other
Lu12In2Fe3
17
139
417.75
mp-30004
-0.023338
1.975165
-4.376888
other
Rb4Br2O1
7
139
256.04
mp-1212895
-8.045085
-6.362611
6.056907
other
Er12In3Fe2
17
139
452.02
mp-1225416
-7.315171
-6.142892
4.480415
other
Eu1Zn2Ga2
5
139
97
mp-20872
-5.80561
-6.774093
3.338814
other
Sr1Al2Pb2
5
139
146.7
mp-1221998
12.384085
11.079103
0.284736
other
Mg2Fe4O6
12
139
114.33
mp-13660
-5.112438
-6.134608
1.406581
other
Ca4Sb2O1
7
139
180.03
mp-5000
-5.355494
-2.779812
-4.377379
other
Tl1Cu2Se2
5
139
105.75
mp-1070613
-6.460623
-3.269033
0.965521
other
Sr1Sb2Ru2
5
139
115.52
mp-4148
-5.626341
-4.084989
4.958219
other
Ho1Si2Pd2
5
139
84.16
mp-3507
-5.650089
-4.027554
4.885891
other
Lu1Si2Pd2
5
139
82.48
mp-1103516
-6.866796
-1.681042
5.986263
other
Tm1Mn4Al8
13
139
196.66
mp-8666
8.363969
8.663856
-0.422192
other
Cs4Ag4O4
12
139
327.12
mp-28497
1.485482
2.67876
-5.968465
other
Cs2Cr1Cl4
7
139
219.42
mp-574244
-5.949934
-1.483738
1.746687
other
Ce1P2Ru2
5
139
80.72
mp-1068685
-2.518121
0.205067
2.59462
other
U2Pt1C2
5
139
79.22
mp-4873
11.471162
8.159608
2.884001
other
Ce2Te1O2
5
139
106.6
mp-1104561
-7.078704
-0.648943
5.731084
other
Hf1Al8Fe4
13
139
183.21
mp-1205312
6.936658
11.983999
1.663394
other
Ca8Mn4O16
28
139
334.86
mp-3455
-5.803623
-1.569089
0.926702
other
Er1Ni2P2
5
139
68.09
mp-1212797
10.189831
10.502804
3.335767
other
Eu4Ti3O10
17
139
216.7
mp-4725
-8.154265
-4.673352
3.221432
other
Nd1Ge2Pd2
5
139
94.56
mp-569737
-5.397385
-3.875596
4.788923
other
Tb1Si2Pt2
5
139
85.54
mp-21429
-5.763553
-2.633926
5.545297
other
U1Co2Si2
5
139
73.78
mp-1025358
-6.286891
-1.576204
5.158017
other
Er1Al4Mo2
7
139
119.11
mp-1206418
-4.996309
-3.410505
0.824847
other
Pr1P2Pd2
5
139
86.57
mp-5054
-5.583093
-0.795871
1.294167
other
Pr1Co2P2
5
139
76.81
mp-1225281
-5.455213
-3.87756
4.680562
other
Dy1Si2Pt2
5
139
89.32
mp-10311
-6.319493
-2.175953
4.03371
other
Zr2V2Ge2
6
139
101.33
mp-5452
-5.289799
-3.844634
5.225447
other
Ce1Cu2Si2
5
139
81.43
mp-1104537
-6.660765
-1.861375
5.897469
other
Nd1Al8Cr4
13
139
204.97
mp-1190178
-3.895659
1.667003
3.064984
other
Y4Ni4B16
24
139
242.78
mp-1212901
-7.733877
-0.752006
4.892051
other
Gd1Ga8Fe4
13
139
191.26
mp-8789
-4.858467
-5.876776
1.69374
other
Ca4As2O1
7
139
159.2
mp-756889
8.399976
8.590418
-0.196332
other
K4Rb4O4
12
139
411.5
mp-5597
-5.726853
-0.661553
1.833844
other
Ca1Fe2P2
5
139
71.9
mp-10697
-7.988821
-3.024585
4.35523
other
Sr1Ge2Rh2
5
139
95.54
mp-1245878
0.360999
2.568751
1.8502
other
Co2Ni1N2
5
139
45.72
mp-3239
-5.802844
-2.616586
5.66093
other
Er1Co2Si2
5
139
70.79
mp-1207066
-7.956549
-6.4049
4.183358
other
La1Ag2Ge2
5
139
104.56
mp-672953
-7.047201
-0.567677
5.202253
other
Np1Fe2Ge2
5
139
77.32
mp-21240
-5.763685
-3.060722
5.757393
other
Gd1Si2Rh2
5
139
82.29
mp-1206920
-5.789392
-2.175352
1.238273
other
K1P2Ir2
5
139
101.58
mp-570058
-7.999937
-2.836535
4.441425
other
Eu1Ge2Ir2
5
139
92.26
mp-1173341
11.317558
8.126181
2.801698
other
Pr4Sb2O4
10
139
223.89
mp-1214759
-8.336869
-5.721416
3.812712
other
Ba1In2Cu2
5
139
120.64
mp-1245574
1.541815
1.927625
1.174555
other
Ba2Ru1N2
5
139
116.55
mp-571509
-5.452598
-3.511776
5.405614
other
Np1Si2Ni2
5
139
75.43
mp-21383
-5.832308
-2.95516
5.518592
other
Eu1Si2Rh2
5
139
85.94
mp-1104883
-6.595431
-1.890635
5.992079
other
Yb1Al8Cr4
13
139
203.54
mp-1181522
6.848308
3.621863
-3.012301
other
Cu1Br2N6
9
139
152.75
mp-1025185
1.217558
2.527746
-6.037887
other
Cs2Ca1Cl4
7
139
251.6
mp-571343
-5.489408
-2.025492
-3.184879
other
Cs1Co2Se2
5
139
112.88
mp-1225855
1.498015
2.133585
1.026226
other
Cu23Pd1N8
32
139
448.43
mp-571665
-5.401337
-3.911551
4.729823
other
Ho1Si2Pt2
5
139
86.45
mp-862993
-7.411668
-6.017779
4.502943
other
Er2Mg2Sn2
6
139
149.34
mp-10437
-5.064723
-3.187411
-4.2796
other
Ba1Cu2Se2
5
139
109.48
mp-4073
-7.510757
0.829013
4.067444
other
Sm1Co2B2
5
139
61.38
mp-569296
-6.279814
-3.460694
0.84297
other
Gd1Ni2Sb2
5
139
100.11
mp-23752
3.231663
-0.71065
-2.565299
other
Cs2Mg1H4
7
139
137.14
mp-19124
6.753575
12.088009
1.48543
other
Ca3Mn2O7
12
139
138.81
mp-1217343
11.538278
8.546974
2.129333
other
Th1U4O10
15
139
204.12
mp-21001
-7.774773
-2.360565
5.32486
other
Y1Ge2Ru2
5
139
88.37
mp-646399
-7.673864
-3.275464
4.293093
other
Gd1Ni2Ge2
5
139
80.5
mp-972320
-4.056199
1.692854
3.00015
other
U4Ni4B16
24
139
239.81
mp-36125
-0.581897
1.225291
-4.552959
other
Li2Mn1Br4
7
139
167.26
mp-570216
-6.091353
-4.066267
0.642419
other
Sm1As2Pd2
5
139
96.33
mp-1025167
-6.90957
-2.234629
4.858919
other
Hf1V2Ga4
7
139
105.52
mp-979948
-3.882965
1.661012
3.057949
other
Sm4Ni4B16
24
139
247.85
mp-1206154
8.886632
0.340526
0.870369
other
Rb3Fe1F6
10
139
204.88
mp-31213
9.583148
10.839949
3.396417
other
Sr4Ti3O10
17
139
215.51
mp-4904
-5.769075
-2.496903
5.935392
other
Pr1Si2Ru2
5
139
87.49
mp-21415
-7.687853
-3.219289
4.315301
other
Dy1Ni2Ge2
5
139
78.89
mp-20070
-5.946526
-3.490549
4.527082
other
Gd2Ti2Ge2
6
139
127.13
mp-12075
-6.26231
1.498274
4.12191
other
Tb1Fe2B2
5
139
60.02
mp-1226701
-2.616484
-0.019867
2.609633
other
Ce1U4C5
10
139
154.66
mp-1207032
-4.996123
-3.240381
0.842309
other
Y1P2Pd2
5
139
82.26
mp-13405
-7.096457
-1.657124
5.680085
other
Lu1Mn2Ge2
5
139
87.5
mp-1219808
1.404357
1.262247
2.584784
other
Pu1U4N5
10
139
144.29
mp-568137
1.412388
2.658478
-6.080029
other
Cs3Mg2Cl7
12
139
360.94
mp-864745
8.553257
1.287751
0.209
other
Na3Zr1F8
12
139
148.14
mp-5561
-5.558398
-2.141324
5.32941
other
Ho1Cr2Si2
5
139
79.03
mp-1245651
1.739413
1.943361
1.282919
other
Sr2Sn1N2
5
139
102.44
mp-1247530
1.469657
1.89435
1.345158
other
Ba2Co1N2
5
139
109.24
mp-1208897
-6.159761
-7.020355
3.654778
other
Sr1Mg2In2
5
139
140.43
mp-7618
8.055023
0.691537
1.498328
other
Cs3Y1F6
10
139
270.09
mp-3709
-7.907791
-2.280559
5.193338
other
Tb1Co2Ge2
5
139
77.76
mp-1222162
17.016026
9.433885
7.496945
other
Mg4Cu1O5
10
139
96.15
mp-21931
-7.156538
-3.799699
5.203863
other
Sc22Al4Ge16
42
139
820.35
mp-7725
11.289783
8.795949
1.1613
other
Na2U1O4
7
139
112.45
mp-567600
-4.835572
-4.466765
5.572425
other
Sm1Si2Ag2
5
139
93.89
mp-22937
-0.672994
2.491743
-2.782346
original
Na4I2O1
7
139
170.92
mp-23556
1.45913
2.684353
-5.819424
other
Rb3Mn2Cl7
12
139
334.28
mp-1025140
-5.096718
-3.481717
4.365262
other
U2Si2Se2
6
139
125.17
mp-1227492
8.49266
1.71469
0.949129
other
Bi1Pb2F7
10
139
153.1
mp-19298
7.54823
10.858992
1.750753
other
La4Ni3O10
17
139
210.05
mp-11859
-5.250851
-4.4941
5.06075
other
La1Si2Au2
5
139
97.88