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-646609
-7.641998
-3.532496
4.17507
other
U4In2Rh4
10
127
210.55
mp-1080722
-8.631419
-6.185008
4.925784
other
Nd4Cd2Cu4
10
127
227.02
mp-1205987
-8.643759
-5.998625
5.3499
other
Dy4Mg2Cu4
10
127
211.55
mp-5259
9.011849
0.636777
1.389998
other
Rb2Al2F8
12
127
162.98
mp-1197115
-7.829062
-3.014874
4.97649
other
Dy10Ge20Ir8
38
127
723.82
mp-22511
-7.009892
-4.66851
5.112553
other
Ce4Mg2Ge4
10
127
245.25
mp-1539667
1.399098
2.583926
-5.816476
other
Cs2Pb2Cl6
10
127
356.97
mp-1205563
-8.710144
-5.812011
5.292642
other
Ho4Mg2Cu4
10
127
208.93
mp-1198689
-7.632915
-5.13735
3.244669
other
Yb10Ni8Sn20
38
127
873.66
mp-3382
11.387358
8.350892
0.696775
other
Ca2Si2O6
10
127
94.01
mp-1210539
-9.501187
-4.742682
3.8889
other
Nd2In4Cu18
24
127
365.11
mp-1213645
1.084953
2.225051
-5.875215
other
Cs2Sr2Cl6
10
127
356.37
mp-1206931
-5.288927
0.369978
3.235477
other
Cr2B4Mo4
10
127
105.05
mp-505296
-5.00944
-4.433202
5.680473
other
Ce4Mg2Si4
10
127
236.88
mp-1205816
-4.912984
-4.309734
5.985248
other
Tb4Mg2Si4
10
127
218.56
mp-10854
-2.99171
1.150681
2.787629
other
Tb2B4C4
10
127
102.67
mp-1190749
-8.988001
-1.561776
2.878581
other
Ho2In4Ni18
24
127
326.34
mp-1206103
-0.219718
0.882286
-4.007664
other
Cs2Tm2Br6
10
127
352.34
mp-1206898
-7.008631
-4.766815
5.563533
other
Y4In2Ge4
10
127
230.13
mp-1205516
-8.214975
-5.202581
5.803545
other
Er4Mg2Ni4
10
127
192.99
mp-1205552
-8.513051
-6.016068
4.179193
other
Nd4Pd4Pb2
10
127
242.5
mp-1080661
-8.984979
-6.380208
3.249541
other
Gd4Sn2Au4
10
127
240.31
mp-1202645
-5.117324
-3.52644
6.084473
other
Y10Si20Ir8
38
127
686.99
mp-20591
-6.581374
-5.934247
3.91756
other
Yb4In2Ge4
10
127
237.95
mp-1205295
-8.322824
-6.412918
2.858723
other
Yb4Pb2Au4
10
127
245.65
mp-10676
-4.890741
-3.767992
5.894845
other
Sc4Al2Si4
10
127
173.71
mp-1196760
-5.205237
-3.362336
5.844938
other
Sc10Si20Rh8
38
127
626.67
mp-1195957
-5.216671
-3.458555
5.954402
other
Er10Si20Ir8
38
127
675.93
mp-12245
8.520693
0.899188
1.208687
other
Rb6Ti2F14
22
127
385.64
mp-6916
-2.937262
1.105789
2.768055
other
Sm2B4C4
10
127
107.4
mp-20165
-8.353408
-5.320604
3.655239
other
Ce4In2Pd4
10
127
235.95
mp-4675
10.746144
11.709031
3.264379
other
Na2Ta2O6
10
127
118.77
mp-13570
-7.954218
-4.908181
5.148945
other
Mg2Sc4Ga4
10
127
198.83
mp-1206905
-8.654878
-6.072724
5.42858
other
Sm4Mg2Cu4
10
127
224.35
mp-17973
8.492411
0.740562
1.213441
other
Cs6Ge2F14
22
127
434.93
mp-1205496
-4.913081
-4.351926
5.929252
other
Y4Mg2Si4
10
127
217.54
mp-1209190
-7.629883
-4.402297
6.202721
other
Sm14Al14Co12
40
127
765.04
mp-1095065
-8.154745
-5.509743
5.888317
other
Sm4In2Ni4
10
127
203.4
mp-1211998
-9.52263
-4.72436
3.918387
other
La2In4Cu18
24
127
366.2
mp-1205813
-4.872652
-4.45844
5.987569
other
Gd4Mg2Si4
10
127
222.86
mp-2926
-7.841502
-5.60696
5.860027
other
Pr4Mg2Ni4
10
127
220.97
mp-1206818
-8.882571
-5.787886
4.440357
other
Dy4Mg2Pd4
10
127
220.58
mp-11964
-8.005731
-4.638108
4.050273
other
Ce4Cd2Pt4
10
127
235.7
mp-12977
-8.922132
-5.829099
4.134119
other
Dy4Cd2Pd4
10
127
217.25
mp-18408
9.12102
0.365111
0.624413
other
Rb6Mn2F14
22
127
372.11
mp-1206447
-8.075987
-5.407966
5.979582
other
Dy4Mg2Ni4
10
127
198.1
mp-616378
-1.32609
3.073065
-2.981456
other
Cs2Sn2I6
10
127
477.1
mp-16638
-8.605433
-5.979165
5.265775
other
Nd4Mg2Cu4
10
127
232.22
mp-1205589
-4.948582
-4.374862
6.045031
other
Pr4Mg2Si4
10
127
244.3
mp-27603
-8.033475
-3.300918
5.401323
other
Ho12Ga42Co14
68
127
1,147.39
mp-1078866
-2.98889
1.122184
2.825462
other
Y2B4C4
10
127
102.05
mp-17362
9.002507
0.432145
0.180188
other
Rb6Ni2F14
22
127
364.85
mp-1213322
-8.931769
-6.387628
3.358852
other
Dy4Sn2Au4
10
127
250.56
mp-7241
-8.842272
-5.697469
4.243247
other
Ho4In2Pd4
10
127
215.47
mp-1202174
-7.838878
-3.220982
4.902873
other
Dy10Ge20Rh8
38
127
719.94
mp-643022
3.291882
-0.588595
-2.546906
other
Rb6H10Pd2
18
127
374.46
mp-1195748
-5.383977
-3.156844
5.850054
other
Sc10Si20Ir8
38
127
624.48
mp-1205561
-8.93081
-5.786923
4.034172
original
Tb4Cd2Pd4
10
127
219.84
mp-1208405
-3.550575
1.545318
2.926318
other
Tb10Si4B16
30
127
428.5
mp-2958
-2.957585
1.124648
2.750787
other
Dy2B4C4
10
127
101.48
mp-1207414
-5.311812
-2.802492
3.057249
other
Zr18Co4P8
30
127
536
mp-1207182
-5.148096
-4.489322
5.925395
other
Ce4Y2Si4
10
127
245.7
mp-1200552
-7.707315
-2.86421
5.270331
other
Lu10Co8Ge20
38
127
656.29
mp-647240
-7.361661
-3.82625
3.93516
other
Np4In2Rh4
10
127
211.44
mp-17450
8.896556
0.373318
0.249296
other
Cs6Ni2F14
22
127
421.96
mp-1202795
-7.686162
-3.0688
4.913969
other
Yb10Co8Ge20
38
127
687.25
mp-1205644
-8.889518
-5.71788
3.995119
other
Er4Cd2Pd4
10
127
212.6
mp-1205707
-8.628309
-5.885259
5.226907
other
Tb4Mg2Cu4
10
127
214.27
mp-20723
-7.982895
-6.617025
2.943546
other
Ca4Pb2Au4
10
127
250.63
mp-2647162
11.286222
9.297548
2.624883
other
Pu4Tl4O12
20
127
325.46
mp-10858
-2.971649
1.14386
2.775684
other
Lu2B4C4
10
127
97.29
mp-13429
-8.484922
-5.181404
5.627962
other
La4Cd2Rh4
10
127
233.66
mp-1205678
-4.933869
-4.307137
6.048091
other
Ho4Mg2Si4
10
127
212.49
mp-1190521
-2.419878
0.137941
2.826451
other
Y10Al6C8
24
127
420.09
mp-1078878
-8.336488
-5.035246
5.606314
original
Ho4In2Ni4
10
127
189.18
mp-1198492
-7.611581
-3.628681
4.655133
other
Yb10Ni8Ge20
38
127
691.58
mp-1191355
-8.965899
-1.538504
2.822315
other
Gd2In4Ni18
24
127
321.89
mp-647194
-7.312424
-3.462926
4.118412
other
U4In2Ni4
10
127
192.68
mp-1207788
-7.727803
-3.047062
5.215404
other
Y10Co8Ge20
38
127
687.85
mp-1205716
-8.691968
-5.914543
4.290071
other
Pr4Mg2Pd4
10
127
243.57
mp-1079659
-5.215111
0.214329
3.230864
other
Ta2B4Mo4
10
127
119.82
mp-20301
-8.32392
-5.967822
3.871279
other
La4Pd4Pb2
10
127
253.13
mp-646426
-7.341407
-3.90275
3.450997
other
U4In2Pd4
10
127
222.64
mp-556927
9.472622
0.320989
0.70468
other
Rb2Fe2F8
12
127
184.05
mp-1080757
-5.072408
-0.171318
3.277223
other
Ta4Cr2B4
10
127
113.12
mp-1205619
-8.623525
-5.294736
5.798639
other
Nd4Cd2Rh4
10
127
224.61
mp-5765
-2.916653
1.072667
2.734868
other
Nd2B4C4
10
127
110.89
mp-1080543
-7.468174
-4.302027
3.36298
other
Np4In2Pd4
10
127
224.1
mp-1190573
-9.45445
-4.82877
3.775359
other
Ca2Cd4Cu18
24
127
355.53
mp-28274
8.583334
1.248522
1.328914
other
Ba6In4F24
34
127
518.69
mp-1206247
-7.959991
-5.65605
6.028147
other
Sm4Mg2Ni4
10
127
209.38
mp-1205499
-5.005657
-4.446359
6.169934
other
Pr4Sc2Si4
10
127
246.91
mp-4419
10.520929
11.837387
3.271483
other
Na2Nb2O6
10
127
124.81
mp-29456
4.645963
2.816136
-3.497526
other
Rb4I2N6
12
127
319.03
mp-20575
-7.043789
-4.818151
5.471592
other
Nd4In2Ge4
10
127
248.09
mp-13859
8.875762
1.149269
1.201731
other
K6Si2F14
22
127
318.85
mp-1079052
-7.065677
-4.45593
5.468026
other
Er4Cd2Ge4
10
127
215.74
mp-542170
-5.216026
-3.417655
5.991087
other
Lu10Si20Ir8
38
127
652.37
mp-1210987
-8.876956
-6.292777
3.443496
other
Lu4Sn2Au4
10
127
238.76
mp-4983
-7.575581
-4.438873
6.265201
other
Nd14Al14Co12
40
127
801