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-7726
11.258851
8.616283
1.152951
other
Rb2U1O4
7
139
132.14
mp-1080796
-7.999662
-5.048563
3.500034
other
Pu1In7Pt2
10
139
233.56
mp-3191
-5.461957
-1.934939
5.629738
other
Ho1Fe2Si2
5
139
73.42
mp-1247450
1.562243
1.81353
1.214219
other
Sr2Cd1N2
5
139
104.27
mp-567093
-5.831776
-2.377702
5.659794
other
Yb1Si2Os2
5
139
85.12
mp-755959
9.135428
9.74298
0.025674
other
Na4Li4O4
12
139
187.11
mp-1025273
3.246885
-0.637357
-2.525155
other
Cs2Yb1H4
7
139
164.86
mp-2647061
10.456299
9.492288
-1.034348
other
Sn1Te2O4
7
139
114.06
mp-21420
-7.222433
-1.853266
5.757397
other
Nd1Mn2Ge2
5
139
96.79
mp-1193485
-4.411183
-4.500042
5.672887
other
Nb8Si14Ni8
30
139
520.27
mp-4291
-7.724612
-3.192564
4.255843
other
Ho1Ni2Ge2
5
139
78.56
mp-4911
-7.916669
-4.360886
4.381765
other
Th1Cu2Ge2
5
139
87.69
mp-1025238
-6.398743
-3.144861
4.46776
other
Tm1Ti2Ga4
7
139
120.82
mp-1207102
-6.139181
-5.546628
5.216753
other
Sr1Al2Ga2
5
139
104.59
mp-4744
-6.23631
-2.354362
0.919363
other
Ca1Ni2As2
5
139
81.85
mp-4255
-4.202377
-1.73218
-5.620751
other
Ba1Cu2S2
5
139
96.3
mp-1104217
-7.36771
0.548481
4.522946
other
Tb1V4Fe8
13
139
170.01
mp-1247488
1.601047
1.901302
1.181619
other
Ba2Mg1N2
5
139
120.81
mp-1070152
-5.629505
-2.480179
5.665778
other
Ca1Co2Si2
5
139
73.96
mp-3325
-7.643885
-3.456379
4.511888
other
Ce1Ni2Ge2
5
139
83.22
mp-1206528
8.831814
0.783391
1.124692
other
Cs2Mn1F4
7
139
137.4
mp-1209277
1.162151
2.303509
-5.804866
other
Rb3Ca2Cl7
12
139
389.88
mp-568008
1.461773
2.626427
-5.823634
other
Rb3Mn2Cl7
12
139
417.19
mp-20476
9.911115
9.684462
0.33661
other
In2Cu1O4
7
139
83.82
mp-20098
6.231589
8.485847
-0.446267
other
Ba2Pb1O4
7
139
125.84
mp-20166
-5.119498
-4.54105
4.898731
other
Np1Si2Au2
5
139
92.89
mp-1205746
8.471008
1.366497
1.837325
other
Cs3U1F6
10
139
273.25
mp-569204
-6.147648
-3.00631
-2.395007
other
Tl1Cu2Te2
5
139
124.61
mp-561827
8.214025
0.663612
0.823961
other
Cs3Tl1F6
10
139
243.21
mp-20785
-7.378171
-1.00007
5.533873
other
Nd1Fe2Ge2
5
139
87.72
mp-1206862
-8.168129
-3.6905
4.396588
original
Ce1Ga2Ni2
5
139
84.81
mp-5553
-7.471489
0.852171
4.073724
other
Nd1Co2B2
5
139
63.18
mp-1104103
-6.837506
-1.661242
5.971489
other
Dy1Mn4Al8
13
139
198.78
mp-1018060
-8.037871
-0.896669
3.426869
other
Ga1Co2Ni1
4
139
45.88
mp-984586
-5.981905
-1.682719
4.363442
other
Nb8Co8Si14
30
139
387.82
mp-2917
-5.176998
-3.960997
5.461233
other
Dy1Cu2Si2
5
139
77.36
mp-1103484
2.122234
2.490367
-3.496815
other
Cu3Br4N4
11
139
263.58
mp-3108
-5.843224
-2.93184
5.703189
other
Lu1Si2Rh2
5
139
79.01
mp-1071863
-7.273944
-6.278801
4.652022
other
Pr2Mg2Sn2
6
139
167.15
mp-1021659
8.141479
9.524769
0.058784
other
K2Cu1O2
5
139
88.8
mp-9690
-6.22964
-5.520805
5.285102
other
Ca1Al2Ga2
5
139
98.7
mp-570452
-5.288499
-4.474678
5.117316
other
Y1Si2Au2
5
139
91.75
mp-4323
-5.562724
-4.13534
5.054246
other
Nd1Si2Pd2
5
139
88.52
mp-28927
-3.956525
-3.423956
0.817657
other
Ba1Ni2P4
7
139
122.96
mp-31054
0.988235
2.210775
1.852474
other
La3V2N6
11
139
152.31
mp-1226883
11.026333
8.8881
2.151801
other
Ce2U2O9
13
139
159.27
mp-1087476
-6.506855
-10.464994
4.265548
other
K2Mg5Sn3
10
139
287.4
mp-866849
-3.319435
-1.710398
-5.673846
other
Ca3Sn2S7
12
139
293.85
mp-7298
-3.751237
-3.897732
0.638279
other
Li1Cu2P2
5
139
70.18
mp-11169
-5.905967
-2.112319
1.308994
other
Ba1P2Ir2
5
139
100.79
mp-4433
-5.869874
-2.957465
5.678125
other
Ce1Si2Ir2
5
139
84.63
mp-753192
-5.690232
-5.563511
1.260748
other
Yb4Sb2O1
7
139
174.88
mp-4259
-7.711432
-2.318007
5.076278
other
Ca1Co2Ge2
5
139
79.79
mp-5288
-5.503969
-1.896003
5.636245
other
Y1Fe2Si2
5
139
73.64
mp-5165
-5.913099
-2.55691
5.873365
original
Th1Si2Ru2
5
139
86.4
mp-1179553
-2.097854
-7.861861
2.155717
other
U4W8C8
20
139
429.64
mp-574235
-7.821094
-3.176029
4.102468
other
Yb1Ni2Ge2
5
139
81.01
mp-3177
-8.001109
-4.401644
4.485875
other
Nd1Cu2Ge2
5
139
87.01
mp-1025119
-5.034446
-4.642182
5.909367
other
La2Sc2Si2
6
139
162.05
mp-1207241
-3.495749
-2.059167
-5.457766
other
Tl2Ni1S2
5
139
140.98
mp-1104462
-7.11996
-0.77273
5.969159
other
Ca1Al8Fe4
13
139
195.89
mp-1207255
-4.43228
-3.162727
-3.987675
other
Tl2Fe1Se2
5
139
159.94
mp-6969
-5.310142
-3.850996
5.413623
other
Sc1Cu2Si2
5
139
72.46
mp-1209006
-5.475306
-2.275982
5.729318
other
Sc8Mn8Si14
30
139
450.41
mp-3292
-5.661406
-2.765069
5.797502
other
Tb1Co2Si2
5
139
72.37
mp-22385
-7.229588
-0.685783
5.912656
other
Np1Al8Fe4
13
139
190.9
mp-5129
-5.677558
-2.702713
5.763792
other
Y1Co2Si2
5
139
72.12
mp-4920
-8.109835
-3.058861
4.479348
other
Nd1Ge2Rh2
5
139
90.41
mp-754363
9.275521
9.247564
3.481634
other
Ba2Hf1O4
7
139
117.33
mp-1198518
-7.087612
-4.488345
5.604968
other
Er22Al4Ge16
42
139
968.21
mp-1229287
8.390863
1.879733
0.988394
other
Bi2Pb1F8
11
139
154.04
mp-5167
-7.673679
-3.233019
4.318347
other
Sm1Ni2Ge2
5
139
81.66
mp-9610
4.722917
1.861402
-2.63524
other
Li2C1N2
5
139
57.54
mp-754327
9.035992
9.063349
2.531112
other
Ho2Cu1O4
7
139
87.13
mp-974690
1.387228
2.598553
-5.897941
other
Rb2Cu1Cl4
7
139
197.05
mp-7707
-5.719045
-2.809189
4.908597
other
Zr1Si2Ni2
5
139
67.82
mp-4822
-5.57725
-4.153305
5.028406
other
Y1Si2Pd2
5
139
84.97
mp-1199978
-7.678874
-6.513608
5.967209
other
Ho22In12Si8
42
139
1,054.21
mp-1070151
-5.068978
-1.043253
-3.942037
other
K1Fe2S2
5
139
84.11
mp-1214869
-6.60266
-1.722343
5.021073
other
Al2Cu1Mo1
4
139
58.09
mp-22935
0.648169
1.965764
-5.236977
other
Cs2Br2F2
6
139
185.18
mp-569577
-5.274888
-4.424333
5.035652
other
Tb1Si2Au2
5
139
91.75
mp-567271
-5.112176
-4.013594
5.409692
other
Np1Cu2Si2
5
139
78.28
mp-20307
-7.743455
-4.46643
4.125044
other
Np1Cu2Ge2
5
139
83.68
mp-31203
-4.816036
-4.424466
5.454034
other
Pr1Si2Ag2
5
139
96.56
mp-1104243
-6.860783
-1.620917
5.954548
other
Th1Mn4Al8
13
139
195.86
mp-1206929
-5.892156
0.890877
2.743419
other
Y1Ni2B2
5
139
58.06
mp-755117
7.943601
10.169749
0.967897
other
Ba2Ir1O4
7
139
109.28
mp-3999
-5.362753
-3.885779
4.777145
other
Y1Si2Pt2
5
139
87.03
mp-567723
-6.342825
-2.360193
0.828113
other
Nd1Ni2As2
5
139
81.59
mp-1207209
-5.644675
-2.273284
5.417883
other
Ce1Cr2Si2
5
139
82.8
mp-1218888
2.510089
2.917878
-4.182176
other
Sr1N2Cl4
7
139
162.29
mp-3651
-5.673395
-3.07908
5.845689
other
Nd1Si2Rh2
5
139
84.84
mp-10455
-6.077069
-3.297235
4.331382
other
Y2Ti2Ge2
6
139
125.75
mp-21388
-7.678004
-4.186072
4.132343
other
U1Cu2Ge2
5
139
84.24
mp-1025177
8.743627
0.449885
0.718407
other
Rb2Cu1F4
7
139
116.64
mp-10896
-6.853631
-1.73737
5.999296
other
Y1Mn4Al8
13
139
202.63
mp-1025457
-7.387005
-3.09936
5.443769
other
Hf1Al5Ni2
8
139
114.05
mp-568402
-5.266242
-4.374565
5.179488
other
Sr1Si2Pd2
5
139
92.64
mp-754475
11.026976
8.035142
2.838864
original
Tm2Se1O2
5
139
85.38