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-1205853
-8.955736
-6.449815
3.535963
other
Nd4In2Au4
10
127
253.61
mp-21052
-8.88602
-5.724741
4.168676
other
Tb4In2Pd4
10
127
220.52
mp-752420
8.442298
1.219697
1.889868
other
Ba6Y4F24
34
127
561.16
mp-8201
8.262149
0.646974
0.765589
other
Rb6Pd2F10
18
127
352.18
mp-639160
-6.904495
-4.944191
5.601267
other
Gd4In2Ge4
10
127
234.54
mp-1205909
-6.385495
-7.020585
3.064808
other
Li4V2Pb4
10
127
204.34
mp-754185
-8.001703
-5.273335
5.912123
other
Y4Mg2Ni4
10
127
201.6
mp-1210641
-8.870358
-1.431406
3.792443
other
Mg6B4Rh10
20
127
260.65
mp-4901
-8.698344
-6.004787
5.18515
other
Y4Mg2Cu4
10
127
215.4
mp-1205861
-8.745516
-5.998547
4.992527
other
Tm4Cd2Cu4
10
127
199.28
mp-21222
-7.039761
-4.706102
5.513543
other
Sm4In2Ge4
10
127
239.58
mp-1193040
-8.968868
-1.618628
2.920736
other
Ce2In4Ni18
24
127
330.64
mp-1206569
-4.91598
-4.282763
6.097804
original
Tm4Mg2Si4
10
127
207.06
mp-5439
-5.783009
-0.150614
3.329626
other
Th4Ru12C10
26
127
351.7
mp-20030
-7.201147
-2.847136
4.637659
other
U4In2Co4
10
127
181.62
mp-29119
-7.716389
-3.364124
4.761308
other
Ho10Ge20Ir8
38
127
835.37
mp-1198925
-7.747902
-2.90923
5.299003
other
Tm10Co8Ge20
38
127
652.12
mp-1205494
-5.015053
-4.38177
6.034416
original
Nd4Mg2Si4
10
127
239.01
mp-1078738
-8.66146
-5.751893
4.862863
other
Er4In2Cu4
10
127
203.14
mp-1205375
7.955657
11.712688
2.235605
other
La2Mn2O6
10
127
123.72
mp-1079510
-8.327269
-4.999411
5.470195
other
Lu4In2Ni4
10
127
180.26
mp-11965
-8.351772
-5.331659
3.687504
other
Ce4Cd2Pd4
10
127
235.94
mp-672335
-8.987391
-1.550117
2.866969
other
Y2In4Ni18
24
127
326.42
mp-542493
-5.179859
-2.985401
5.796948
other
Sc10Co8Si20
38
127
559.99
mp-12243
8.744139
0.921035
1.210867
other
Rb6Si2F14
22
127
360.68
mp-1191054
-9.57535
-4.834166
3.838662
other
Pr2Cd4Cu18
24
127
359.81
mp-1198240
-7.751959
-4.558256
3.355171
other
La10Sn20Ir8
38
127
963.84
mp-867301
-6.971631
-4.494149
5.544617
other
Tb4Mg2Ge4
10
127
224.35
mp-862697
-7.021329
-4.362644
5.464587
other
Er4Mg2Ge4
10
127
215.72
mp-1206813
-4.939135
-4.251037
6.025238
other
Er4Mg2Si4
10
127
209.57
mp-1206052
-8.145017
-5.294722
3.321959
other
Ce4Sn2Pd4
10
127
237.99
mp-21357
-7.001563
-1.586325
4.898839
other
U4Fe4Sn2
10
127
187.94
mp-1207749
-8.857594
-6.353333
3.288438
other
Y4Sn2Au4
10
127
252.22
mp-1283849
5.715044
11.636045
-0.111982
other
Sr2Co2O6
10
127
112.93
mp-1191362
-8.985769
-1.542914
2.883249
other
Dy2In4Ni18
24
127
326.31
mp-675379
12.599315
9.789168
1.715401
other
Li4Ta4O6
14
1
189.22
mp-758626
10.12604
9.148112
-0.544354
other
Bi17W3O33
53
1
873.94
mp-675625
6.299632
4.956771
-4.472846
other
K2N2O6
10
1
179.09
mp-768498
-7.678783
-0.838455
2.998306
other
Cr14Ni40Mo6
60
1
686.85
mp-673669
10.064842
9.549648
0.11597
other
In8Sn6O24
38
1
482.07
mp-757552
11.22184
12.766892
-3.625416
other
V12Fe6O35
53
1
623.63
mp-1100966
-5.349298
1.157674
-4.465003
other
V8Mo16S32
56
1
1,079.26
mp-759990
10.647915
-0.063629
0.324733
other
Li8Mn8F32
48
1
569.49
mp-850953
11.816001
-0.552859
1.164382
other
Mn12O5F19
36
1
455.67
mp-690511
8.6285
9.951311
0.165199
other
K10Co4O9
23
1
435.62
mp-626567
10.748153
12.674718
2.4374
other
Ti6H4O14
24
1
568.77
mp-1283489
14.978498
12.360519
-0.868996
other
V6O8F4
18
1
218.8
mp-752795
10.311932
1.334814
-1.777714
other
Co6O5F7
18
1
195.15
mp-2214661
10.650616
12.647497
-4.63786
other
V4O7F5
16
1
214.23
mp-1666632
4.21342
19.268124
-1.844007
other
Li14Co10O24
48
1
422.09
mp-760190
9.528621
0.73407
-0.51216
other
Cu16O8F16
40
1
466.66
mp-1247930
-1.657155
0.741889
-5.181712
other
Ag7S2I2
11
1
286.96
mp-1041642
11.150763
9.383727
-0.04482
other
Mg2Sb4O8
14
1
233.4
mp-27907
-3.435452
-1.599951
-5.31933
other
Sb12Pb8S26
46
1
1,196.43
mp-1101132
-5.54384
-3.451106
-1.887908
other
Te7As5I1
13
1
407.35
mp-759200
12.157188
3.129446
1.002717
other
V4O3F9
16
1
199.04
mp-1215087
1.093182
2.361651
-3.354918
other
Ag3S1I3
7
1
3,343.78
mp-766895
-7.383507
-0.799917
3.034066
other
Cr8Ni50Mo17
75
1
894.53
mp-1100862
8.699607
1.007167
0.928211
other
Yb8Al8F40
56
1
656.3
mp-759043
12.762099
-1.10454
0.742618
other
Mn12O10F14
36
1
427.21
mp-775861
1.876631
1.760416
2.829455
other
Zr16N16O8
40
1
522.79
mp-861691
13.189843
0.377934
0.853691
other
Fe6O6F6
18
1
210.7
mp-768654
-7.673774
-0.83852
3.002784
other
Cr21Ni60Mo9
90
1
1,043.49
mp-779975
1.675724
1.805257
2.946804
other
Hf16N16O8
40
1
502.12
mp-1101048
8.781779
13.45321
-1.052224
other
Ti4Fe8O20
32
1
378.63
mp-755917
5.322366
12.108661
-2.418832
other
Fe10O15F5
30
1
328.25
mp-758735
7.885469
5.810035
-1.436146
other
Fe8O10F6
24
1
271.63
mp-677028
8.172981
1.428064
1.180179
other
Rb2Bi2F6
10
1
221.8
mp-866621
-3.422467
-1.656237
-5.737115
other
Ca6Sn8S22
36
1
882.66
mp-775823
1.887346
1.771172
2.823013
other
Zr16N16O8
40
1
523.03
mp-673704
10.656889
13.10208
-0.409554
other
Ti7Fe13O30
50
1
541.53
mp-755890
5.441226
12.263565
-2.467233
other
Fe10O14F6
30
1
329.81
mp-1173357
8.960572
1.492353
1.724865
other
Sm8Al8F40
56
1
803.61
mp-9198
-2.983996
-3.563707
0.816035
other
Fe1Si4P4
9
1
142.79
mp-755768
15.090874
12.591475
-0.847935
other
V6O8F4
18
1
201.64
mp-626543
9.198352
3.637056
-4.256247
other
H12N4O4
20
1
235.27
mp-1225248
-7.051262
0.368748
3.390777
other
Fe36B4P8
48
1
514.58
mp-753517
9.334257
8.846462
-0.368477
other
Sr1Bi5O9
15
1
286.34
mp-773588
11.154168
8.705187
2.893121
other
Sc6N2O5
13
1
155.53
mp-35822
12.549086
7.618107
-0.892549
other
Li8Si2O8
18
1
173.16
mp-998241
10.081388
1.459851
2.016433
other
Mn1In1F3
5
1
80.12
mp-1185653
-6.003992
-8.428968
5.693037
other
Mg16Al12Cl1
29
1
590.08
mp-675418
7.853451
0.558834
-4.028119
other
B3H18N3
24
1
202.59
mp-849387
9.418648
0.765742
-0.524905
other
Cu6O1F11
18
1
199.12
mp-752714
12.176886
8.128003
-6.421567
other
P8W2O26
36
1
562.96
mp-759536
12.194375
3.140831
1.01398
other
V8O6F18
32
1
395.29
mp-626851
10.236344
4.68047
-4.314541
other
Fe4H14O13
31
1
231.78
mp-776596
14.167405
11.97549
-2.232826
other
V6O6F12
24
1
292.73
mp-676816
8.484563
1.333497
1.900089
other
La2Pb1F8
11
1
164.05
mp-35397
6.40329
9.386134
-1.922927
other
Bi2W1O8
11
1
158.5
mp-625075
12.311292
5.408297
-2.333507
other
Al2H2O4
8
1
72.7
mp-779448
8.606297
15.186362
-1.605736
other
Mn8O13F3
24
1
249.45
mp-1245073
9.364464
12.902013
-1.438743
other
Cr8Fe24O48
80
1
1,018.95
mp-698567
9.590951
8.687449
-0.505228
other
Cr1Bi14O24
39
1
645.26
mp-14983
-3.07088
-3.671785
0.876733
other
Si4P4Ru1
9
1
151.08
mp-675506
10.558517
10.701172
2.024165
other
Nb6Pb10O25
41
1
656.26
mp-995220
8.500114
1.221828
-4.467053
other
H28C14O7
49
1
461.07
mp-1044866
10.750916
9.371966
-0.58811
other
Zn6Sb12O24
42
1
701.56
mp-676306
-5.943574
-3.650963
-1.698372
other
Dy7Cu3Te12
22
1
684.16
mp-760898
12.25401
-0.933634
0.892413
other
Mn12O7F17
36
1
436.56