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-1205673
-5.801586
-3.245736
1.013812
other
Nd2P4Pt4
10
139
176.29
mp-13910
-7.094675
-6.278099
3.496409
other
Ba1Ag2Ge2
5
139
115.3
mp-21281
-7.161054
-1.647626
5.767933
other
Th1Mn2Ge2
5
139
94.84
mp-19939
-7.976555
-2.527732
5.252478
other
La1Co2Ge2
5
139
86.18
mp-567818
-6.304321
-2.390678
0.723141
other
Sm1Ni2As2
5
139
79.94
mp-753278
8.955598
9.784346
2.313
other
Nd2Ni1O4
7
139
96.68
mp-20700
-5.80848
-2.89825
5.765513
other
Gd1Si2Ir2
5
139
84.45
mp-10877
-8.026876
-4.096866
5.277196
other
Ca1Al8Cu4
13
139
195.89
mp-569089
-5.975275
-1.412957
1.788462
other
Dy1P2Ru2
5
139
77.41
mp-13399
-7.688142
-3.139271
4.230289
other
Lu1Ni2Ge2
5
139
76.82
mp-972467
-3.876236
1.698877
3.059828
other
Tb4Ni4B16
24
139
240.86
mp-1096860
9.808556
10.695894
3.193552
other
Ca2Ti1O4
7
139
89.1
mp-5109
-7.664622
-3.217581
4.294709
other
Y1Ni2Ge2
5
139
79.46
mp-9886
-5.954144
-1.389947
1.644654
other
La1P2Ru2
5
139
88.73
mp-1104984
-7.098136
-0.657336
5.82707
other
Sm1Al8Fe4
13
139
194.43
mp-1224877
-5.465886
-3.928937
4.643955
other
Gd1Si2Pt2
5
139
90.93
mp-5916
-5.496408
-3.229249
5.35729
other
Yb1Si2Ni2
5
139
75.35
mp-1220313
11.283405
8.137618
2.805938
other
Nd2Sb1O2
5
139
109.16
mp-568182
-6.257208
-2.000479
1.195246
other
Ce1Co2As2
5
139
82.8
mp-2877
-5.205071
-3.966113
5.512288
other
Nd1Cu2Si2
5
139
81.67
mp-555162
8.962927
0.898598
1.333026
other
Ba2Co1F6
9
139
144.08
mp-1194438
-7.104249
-1.396644
3.680388
other
Ti8Co8Ge14
30
139
421.05
mp-1077837
-6.896596
-4.66288
5.308098
other
La2Sc2Ge2
6
139
156.48
mp-1228646
-7.929528
-6.081743
2.846718
other
Ba1Ge2Au2
5
139
114.77
mp-1206424
-5.255656
-3.985608
4.638354
other
Sr1Si2Pt2
5
139
94.37
mp-978853
-8.007961
-2.866657
4.411883
other
Sr1Ge2Ir2
5
139
95.46
mp-1076931
-5.258351
-3.922313
4.711762
other
Eu1Si2Pt2
5
139
89.58
mp-767525
-5.027046
-3.206373
-3.408674
other
Li6Sb1S2
9
139
158.69
mp-1068734
-5.697729
-2.947698
5.621839
other
Ce1Si2Ir2
5
139
89.07
mp-1147753
7.202871
10.094547
-1.282779
other
Tl2Cu1O4
7
139
91.83
mp-1205544
8.097284
0.785113
1.485196
other
K3Dy1F6
10
139
234.37
mp-3390
-5.076435
-4.003284
5.537116
other
Y1Cu2Si2
5
139
77.76
mp-1078439
-7.997456
-4.991872
3.668366
other
Ce1In7Pt2
10
139
236.59
mp-1205613
8.06018
0.730583
1.41229
other
Rb3Sm1F6
10
139
264.33
mp-570631
-5.839505
-0.856089
2.071788
other
U1Fe2P2
5
139
67.79
mp-1197569
-7.631603
-0.001408
2.643264
other
Zn2Ni21B20
43
139
369.23
mp-20003
-8.044617
-3.978786
5.327791
other
Ce1Al8Cu4
13
139
197.95
mp-4013
-5.80849
-2.483987
5.930482
other
Nd1Si2Ru2
5
139
86.51
mp-554352
8.853471
0.974536
1.305417
other
Ba2Cu1F6
9
139
135.24
mp-570073
-7.656329
-3.458483
4.166833
other
Np1Ni2Ge2
5
139
80.24
mp-756235
-1.250892
1.924376
-1.564358
other
Ba3Sr1I8
12
139
566.64
mp-768305
9.656858
9.331693
3.834074
other
Sr2Hf1O4
7
139
106.01
mp-1192618
-5.866772
-1.508494
4.619454
other
Nb8Fe8Si14
30
139
396.67
mp-1104497
-7.769553
-4.928192
4.907373
other
La2Ga10Ni1
13
139
253.84
mp-6957
-5.823426
-0.679409
1.894239
other
Ce1Fe2P2
5
139
73.86
mp-22657
-5.731463
-3.360093
5.082694
other
Pu1Si2Rh2
5
139
82.6
mp-571434
-6.091819
-4.0504
0.660624
other
La1As2Pd2
5
139
97.91
mp-4484
-5.953636
-1.390985
1.866427
other
Ba1P2Ru2
5
139
100.29
mp-1104101
-6.85652
-1.65597
5.9745
other
Er1Mn4Al8
13
139
196.33
mp-1206850
-4.809519
-4.473909
5.447416
other
Dy1Si2Ag2
5
139
91.37
mp-1202244
-8.523942
-0.975687
5.086767
other
La18In3Co28
49
139
983.97
mp-2965
-5.494986
-2.323858
5.809411
other
Ce1Mn2Si2
5
139
88.99
mp-1104855
-6.893792
-1.731695
6.026886
other
Yb1Mn4Al8
13
139
199.4
mp-20527
-7.386647
-1.018082
5.568009
other
La1Fe2Ge2
5
139
91.26
mp-19252
8.431091
9.821669
-0.085128
original
K2Ni1O2
5
139
98.07
mp-4861
-5.22889
-4.396056
0.635023
other
Sr1Cu2As2
5
139
94.79
mp-4740
-5.598273
-2.194475
5.355268
other
Y1Cr2Si2
5
139
79.51
mp-3895
-5.820227
-2.95954
5.684974
other
Ho1Si2Rh2
5
139
80.55
mp-569974
-5.642327
-1.620685
0.786308
other
Nd1Ni2P2
5
139
73.64
mp-7523
2.203009
1.856454
1.554576
other
Th2Te1N2
5
139
111.06
mp-3808
11.260909
8.691878
1.337701
other
K2U1O4
7
139
124.03
mp-5683
-5.635326
-2.030255
5.568972
other
U1Mn2Si2
5
139
76.87
mp-12863
-4.131819
-5.081568
5.962014
other
Ba1Al2Si2
5
139
116.19
mp-1211609
1.295829
2.374326
-5.773069
other
K3Mg2Cl7
12
139
310.96
mp-1226874
9.766974
8.845978
3.13169
other
Ce4Th1O10
15
139
204.65
mp-758741
-5.743638
-0.832484
1.767354
other
Li1Fe2P2
5
139
64.01
mp-23483
1.382148
2.457499
-5.372816
other
Rb2Cr1Cl4
7
139
431.66
mp-754998
11.219959
7.960251
2.793925
other
Ce2Se1O2
5
139
97.37
mp-3758
-5.604955
-1.491363
0.913723
other
Eu1Ni2P2
5
139
73.46
mp-1069520
2.705863
-0.437603
-1.659932
other
Zr2Cu1H2
5
139
62.58
mp-12101
-5.71336
-2.297301
5.64288
other
Lu1Si2Os2
5
139
81.44
mp-1212857
-6.804817
-8.083527
4.989241
other
Eu1Mg2Ga2
5
139
114.95
mp-1077349
-5.358099
-4.082525
-0.395978
other
Th2Ge2Te2
6
139
164.85
mp-7363
-6.158772
-5.811399
3.737936
other
Sr1Zn2Ge2
5
139
101.41
mp-5532
9.670182
10.484412
3.37336
other
Sr2Ti1O4
7
139
95.6
mp-569983
-5.454782
-1.725574
-3.09883
other
Ni8Pd4Se8
20
139
317.31
mp-1206916
-3.551169
-1.856419
-5.543943
other
Tl2Fe1S2
5
139
157.1
mp-1207007
-5.524071
-2.134547
5.654891
other
Tm1Mn2Si2
5
139
76.88
mp-22133
-4.224181
-4.964325
5.666405
other
Eu1Zn2Si2
5
139
91.24
mp-1025335
-6.437721
-3.129111
4.456638
other
Lu1Ti2Ga4
7
139
119.97
mp-19838
-5.585599
-2.132143
5.108664
other
Pu1Cr2Si2
5
139
74.97
mp-1247500
0.403743
2.589072
1.777916
other
Fe2Cu1N2
5
139
62.37
mp-11181
-3.958305
-3.749116
0.662267
other
Cs1Mn2P2
5
139
121.57
mp-1206513
-6.141806
-5.080142
1.582737
other
Ce2Ge2Bi4
8
139
215.44
mp-16260
-8.012462
-4.62817
2.925916
other
Ca1Ge2Pd2
5
139
93.89
mp-1206148
8.0772
0.717908
1.532963
other
Rb3Dy1F6
10
139
232.89
mp-1220104
-6.670969
-1.796147
5.774504
other
Np1Al8Cr4
13
139
191.76
mp-1226585
7.093806
8.384537
-0.962405
other
Ce1Pr4O10
15
139
228.32
mp-1070662
11.153544
8.418728
2.635526
other
Gd2Bi1O2
5
139
104.3
mp-1224356
-5.59454
-3.456673
-2.057423
other
Ge5Te4Se1
10
139
266.84
mp-1217773
-5.606532
-1.762754
4.326447
original
Ta1Si10W4
15
139
208.71
mp-5380
-4.645329
-5.886909
2.13832
other
Ca4P2O1
7
139
152.27
mp-9986
8.321059
8.787791
-0.614323
other
Cs4Au4O4
12
139
324.86
mp-1070267
-4.070084
-5.017751
5.383204
other
Ba1Zn2Si2
5
139
102.87
mp-1205999
8.09909
0.731076
1.547286
other
Rb3Tm1F6
10
139
243.44
mp-569344
-5.905948
-1.900604
4.82583
other
Zr1Co2Si2
5
139
66.41
mp-1194045
-5.622455
-2.420558
4.999945
other
Zr8Co8Si14
30
139
424.76
mp-12746
-7.67699
-4.943989
4.717309
other
Ce2Ga10Pd1
13
139
255.67
mp-570907
-7.714238
-2.304358
5.247904
other
Tm1Ge2Ru2
5
139
86.83
mp-1205633
8.789135
0.338143
0.92942
other
Cs3Fe1F6
10
139
227.76