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-18724
5.87607
11.174537
0.348468
other
Sr4Co2O8
14
139
178.38
mp-4322
-7.25485
0.951885
4.052389
original
Pr1Co2B2
5
139
64.28
mp-1077197
-5.672491
-4.618659
1.310782
other
Ce2Sc2Sb2
6
139
165.58
mp-1068843
11.229845
8.268768
2.71549
other
Sm2Bi1O2
5
139
107.62
mp-20867
-6.307693
-5.471944
5.426685
other
Eu1Al2Ga2
5
139
100.04
mp-1206526
9.199176
9.887337
2.39762
other
Nd2Co1O4
7
139
93.52
mp-2896
-8.100413
-3.020599
4.503087
other
Pr1Ge2Rh2
5
139
91.38
mp-1207218
-4.925177
-3.505528
0.894025
other
Ce1P2Pd2
5
139
85.8
mp-9306
1.624873
1.721635
1.442189
other
Sr2Zn1N2
5
139
95.36
mp-864765
8.490966
1.249052
0.299526
other
Na3Hf1F8
12
139
156.05
mp-12080
-6.995018
-1.997075
5.274765
other
Dy1Cr2Ge2
5
139
84.35
mp-977054
-7.072576
-0.727751
5.806902
other
La1Al8Fe4
13
139
197.04
mp-1025343
2.48514
2.910424
-4.031377
other
Mn1N2Cl4
7
139
173.53
mp-28796
8.024842
9.95391
1.018026
other
Sr5Au2O8
15
139
226.64
mp-27478
8.773272
1.283622
1.597376
other
Na3Pa1F8
12
139
156.79
mp-1202129
-7.110205
-6.24853
6.005419
other
Y22In12Si8
42
139
1,081.1
mp-570009
-5.641262
-2.154425
5.745663
other
Np1Mn2Si2
5
139
77.63
mp-1208702
7.791707
10.28414
0.600973
other
Sr4Ir3O10
17
139
228.76
mp-1103904
-7.690353
-1.039354
3.941186
other
Sm1Mn8Ni4
13
139
173.04
mp-3437
-5.571681
-2.637018
5.687014
other
Ce1Co2Si2
5
139
76.28
mp-5898
-5.292478
-3.594543
5.545114
other
La1Si2Ni2
5
139
81.27
mp-605867
-7.994574
-5.086497
3.631838
other
Ce1In7Pt2
10
139
245.38
mp-5936
-5.708479
-3.087847
5.807754
other
La1Si2Rh2
5
139
87.96
mp-1025351
-5.322438
-6.283865
1.263849
other
Sr4Bi2O1
7
139
222.97
mp-8320
-5.092275
-4.481662
6.038514
other
Sm2Sc2Si2
6
139
142.86
mp-1183490
-5.336964
-4.403315
0.64257
other
Ca1Cu2As2
5
139
89.07
mp-3109
-5.190753
-3.525336
0.267908
other
U2Ge2Te2
6
139
148.1
mp-754364
8.746516
9.560037
2.390533
other
Y2Cu1O4
7
139
88.79
mp-21376
8.880581
9.676109
2.316131
other
Nd2Cu1O4
7
139
91.79
mp-1104258
-7.434419
0.477553
4.647044
other
Y1Cr4Fe8
13
139
163.34
mp-1209923
-7.758883
-0.797478
4.967475
other
Nd1Ga8Fe4
13
139
196.18
mp-1068954
11.196259
8.210441
2.743827
other
Tb2Bi1O2
5
139
101.78
mp-2991
11.232036
8.763096
1.112391
other
Cs2U1O4
7
139
144.21
mp-7881
-6.290632
-6.314053
3.351084
other
Sr1Cd2Ge2
5
139
119.8
mp-8375
-5.697896
-1.674253
4.620725
other
Th1Si2Tc2
5
139
88.88
mp-8298
-4.0206
-5.408789
1.686573
other
Sr4P2O1
7
139
185.36
mp-21000
-7.193661
-1.698092
5.766692
other
Dy1Mn2Ge2
5
139
90.85
mp-1094016
-5.894683
-4.724167
0.886401
other
Yb2Mn2Sb4
8
139
197.14
mp-5677
-5.465416
-2.19211
5.726242
other
Tb1Mn2Si2
5
139
79.3
mp-7366
-7.487148
-6.462996
2.725133
other
Sr1Ag2Sn2
5
139
128.74
mp-16251
-5.201505
-4.444345
4.818521
other
Yb1Si2Au2
5
139
95.51
mp-7108
-5.43097
-3.928894
4.780443
other
Tm1Si2Pt2
5
139
83.84
mp-1201298
-7.779474
-5.809587
5.794604
other
Ho22In12Ge8
42
139
1,069
mp-1207097
-4.970827
-3.297838
0.850362
other
Dy1P2Pd2
5
139
81.89
mp-11445
-6.406734
-3.151552
4.456196
other
Y1Ti2Ga4
7
139
122.95
mp-1206406
-6.414957
-2.587505
1.207094
original
K1As2Ir2
5
139
108.7
mp-1104000
-3.866589
-3.914787
0.718234
other
Sr2Cu6P5
13
139
207.58
mp-1221857
11.575316
12.294863
0.054136
other
Mn4Fe1O5
10
139
111.11
mp-571382
-6.331928
-1.805488
1.264544
other
Nd1Co2As2
5
139
82.57
mp-35276
-6.018937
-2.085854
1.064258
other
K1Fe2As2
5
139
97.29
mp-16487
-6.905625
-1.664
5.979647
other
Ce1Mn4Al8
13
139
204.59
mp-19753
-5.615643
-4.192274
5.034091
other
Gd1Si2Pd2
5
139
85.94
mp-545539
11.220907
8.278827
2.753551
other
Pr2Bi1O2
5
139
115.07
mp-19897
8.106228
8.868809
0.297
other
Eu2Te1O2
5
139
107.49
mp-554688
-3.236046
-1.61534
-5.373712
other
Ba6Hf5S16
27
139
698.57
mp-5135
-7.608126
0.920162
4.07709
other
Dy1Co2B2
5
139
58.33
mp-1178355
11.225034
8.139685
3.05911
other
Er2Te1O2
5
139
92.38
mp-5510
-5.264247
-4.008234
5.013923
other
U1Si2Au2
5
139
93.16
mp-769253
10.930326
7.914052
2.867249
other
Dy2Se1O2
5
139
89.56
mp-4075
-5.53323
-3.911346
2.542767
other
Tb2Zr2Sb2
6
139
152.7
mp-3190
-5.964434
1.469838
4.042491
other
Er1Fe2B2
5
139
56.65
mp-569013
-5.284306
-4.425722
5.15184
other
Ho1Si2Au2
5
139
90.93
mp-3262
-5.785476
-2.542553
5.655995
other
Tm1Co2Si2
5
139
70.31
mp-551749
9.430037
10.272295
1.914277
other
La3Ni2O6
11
139
154.34
mp-1178762
-8.068117
-2.49302
3.404088
other
V1Sn1Rh2
4
139
62.85
mp-569674
-6.287093
-1.902725
1.178246
other
La1Co2As2
5
139
85.92
mp-1205729
8.103581
0.781599
1.398543
other
K3Sm1F6
10
139
246.58
mp-601285
-7.905116
-1.485088
2.699541
other
Mn1Ga1Ni2
4
139
47.94
mp-29653
-3.897701
-1.317283
3.769893
other
U3Si2C3
8
139
128.6
mp-1104741
-8.049648
-3.967983
5.294924
other
Tb1Al8Cu4
13
139
194.26
mp-21473
-5.715261
-1.602112
0.836177
other
Gd1Ni2P2
5
139
70.57
mp-4889
-8.099073
-2.974751
4.509528
other
Y1Ge2Rh2
5
139
87.06
mp-754736
-1.189862
1.952152
-1.692936
other
Ba1Sr3I8
12
139
541.32
mp-4539
-7.983226
-4.360528
4.363114
other
Ho1Cu2Ge2
5
139
82.36
mp-622848
-8.239635
-2.399871
5.293691
other
Sm2Ga9Ru5
16
139
256.68
mp-568599
-6.229807
-3.568213
0.783422
other
Sm1Ni2Sb2
5
139
100.35
mp-1206754
-8.109667
-4.590979
3.193712
other
Pr1Ge2Pd2
5
139
95.44
mp-22559
-5.549428
-2.716589
5.322913
other
Pu1Si2Ru2
5
139
84.28
mp-755100
8.384969
9.022244
-0.277188
other
Cs2Ni1O2
5
139
131.74
mp-3546
-7.109375
-0.681257
5.824231
other
Tb1Al8Fe4
13
139
189.39
mp-1104994
-6.836283
-1.700987
5.990645
other
Pr1Mn4Al8
13
139
207.71
mp-1245531
0.149397
2.496191
2.032656
other
Fe4Co2N4
10
139
93.45
mp-1212513
-7.248271
-1.937057
5.482108
other
Sc14Mn12Ge16
42
139
700.26
mp-568055
-5.977832
-1.365133
1.72458
other
Nd1P2Ru2
5
139
83.83
mp-28627
-0.224112
1.787773
-4.128095
other
K4Br2O1
7
139
218.17
mp-557929
-4.841362
-1.638524
-5.749704
other
Tl1Cu6S4
11
139
185.82
mp-28002
-0.541654
1.327836
-4.827963
other
Rb3Mn2Br7
12
139
406.76
mp-1258362
-1.788717
-8.340474
2.177312
other
Al1V1Re2
4
139
717.36
mp-20292
-5.893816
-3.240965
5.528828
other
Np1Si2Rh2
5
139
83.46
mp-1205948
8.923291
0.938434
0.211062
original
Fe1Ag3F6
10
139
172.65
mp-16261
-8.03962
-2.983898
4.358826
other
Ca1Ge2Rh2
5
139
89.5
mp-27263
-0.512807
1.349008
-4.849349
other
Rb2Mn1Br4
7
139
242.83
mp-2938
-5.539281
-1.81335
5.524502
other
Tm1Fe2Si2
5
139
72.49
mp-1069004
-2.91965
0.271487
2.679907
other
U2Os1C2
5
139
74.95
mp-25773
8.859919
14.713703
-0.903375
other
Mn16Cl6O20
42
139
564.13
mp-4653
-5.741498
-2.891979
5.760517
other
Y1Si2Ir2
5
139
82.13
mp-1205037
-7.648201
-6.562223
6.029997
other
Dy22In12Si8
42
139
1,057.87
mp-4547
11.248122
8.031741
3.043394
other
La2Te1O2
5
139
111.86
mp-5605
-4.99108
-4.471911
5.150618
other
Ce1Si2Ag2
5
139
96.34
mp-1207273
-4.494191
-3.115781
-3.914474
other
Tl2Co1Se2
5
139
155.32