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-1217905
-5.668958
-2.107888
3.668483
other
Ta1Nb1V1
3
42
50.32
mp-1226717
-6.372708
-5.776502
5.778145
other
Ce1Th3Al2
6
42
165.88
mp-676599
7.718867
10.931847
-1.510751
other
Cu8N1O11
20
42
217.94
mp-625281
11.523449
6.06721
-1.902618
other
U1H2O4
7
42
92.91
mp-1216775
-5.962545
-1.076812
3.737933
other
V10Si3Ge3
16
42
212.48
mp-1215185
-5.756429
-3.326435
3.85107
other
Zr1Ti1Nb1
3
42
58.67
mp-1223234
8.698052
9.659387
2.305754
other
La2Cu1O4
7
42
96.05
mp-1215635
-5.626658
-2.008091
3.67318
other
Zr1Nb2Mo2
5
42
89.87
mp-1220752
-5.37829
-2.223677
3.530281
other
Nb10Si3B3
16
42
238
mp-1224015
-7.366614
-6.130934
5.565368
other
La24In8Ge8
40
42
1,247.25
mp-36600
-2.396909
0.002081
-5.32741
other
Ag6S2Br2
10
42
233.83
mp-1220751
-5.4062
-2.699015
3.567622
other
Nb10Al3Si3
16
42
269.63
mp-1226213
-6.934471
0.768218
3.609626
other
Cr1Fe3B2
6
42
54.29
mp-1227879
-6.961321
-5.579001
5.080392
other
Ce10Ni3Sn3
16
42
406.15
mp-760411
9.104951
4.374949
-6.295722
other
Bi2C1O5
8
42
105.67
mp-558728
8.46312
0.681958
1.234799
other
Cs3Li2F5
10
42
204.14
mp-1216576
-6.628639
-0.607289
3.767829
other
V2Cr2Fe1
5
42
61.2
mp-771189
9.583751
10.434607
3.164586
other
Ba4Ti3O10
17
42
246.47
mp-1220357
-6.017895
-1.254976
3.77502
other
Nb1Re1Mo1
3
42
49.09
mp-1220335
-5.833199
-1.293651
3.637266
original
Nb1Mo1W1
3
42
49.66
mp-1223198
-8.434739
-0.453307
4.499208
other
La2Ga6Co20
28
42
373.14
mp-1219021
-7.661286
-4.07275
2.731497
other
Sn14Ir4Os2
20
42
428.98
mp-761108
7.843737
2.360362
1.036943
other
Bi4O4F4
12
43
203.44
mp-1372210
9.927768
9.1738
-6.102193
other
V4P4O20
28
43
335.47
mp-1043568
13.765326
5.805812
-7.481753
other
Ta4P4O20
28
43
369.42
mp-1181786
8.57185
1.976871
-4.181174
other
H20N8Cl4
32
43
298.7
mp-5335
-2.989794
-2.477389
-4.247141
other
U4Pd2S8
14
43
297.97
mp-1225891
-6.160833
-2.960407
-2.239168
other
Cu8Ge4Te12
24
43
661.4
mp-1193459
6.954495
6.316374
-3.636607
other
Ca2I4O24
30
43
531.7
mp-1078326
-7.841814
-5.622411
3.279975
other
Ca4Ge2Pd4
10
43
215.07
mp-625525
10.583375
11.16083
-3.014808
other
H4W4O14
22
43
283.26
mp-707910
8.310798
0.856755
-4.378732
other
H88C40O12
140
43
1,209.85
mp-779908
5.676894
11.273902
-1.709633
other
Na8Fe4O12
24
43
257.06
mp-14444
-2.493257
-0.389378
-5.272936
other
Hf2P4S12
18
43
494.68
mp-1200055
7.837078
0.599607
-4.543789
other
H24C8Se8
40
43
665.13
mp-13666
-2.534063
-0.333806
-5.214882
other
Ti2P4S12
18
43
469.85
mp-568726
2.174776
2.960572
-4.383333
other
Mo2Se4Cl24
30
43
906.05
mp-22966
7.620136
2.77854
-2.155823
other
C2Cl4F4
10
43
200.02
mp-1219618
10.449602
4.28335
-4.141891
other
Rb4H16O12
32
43
396.33
mp-644118
4.692677
0.620949
-2.47865
other
H20N8Cl4
32
43
170.88
mp-1225871
-4.617205
-1.304064
-5.782649
other
Cu8Ge4S12
24
43
448.86
mp-1194028
6.020906
3.930992
-4.152977
other
C4N16O8
28
43
459.88
mp-1198096
8.039704
8.516496
-3.272519
other
K4Te6O24
34
43
556.93
mp-1120795
9.859614
2.610094
1.59518
other
Na2V6F20
28
43
400.93
mp-769059
-3.597632
-0.856039
-5.524096
other
Li24Nb8S32
64
43
1,286.3
mp-1202226
-3.54266
-1.24757
-5.444423
other
Na24Ta8S32
64
43
1,584.7
mp-1199395
8.29837
2.83515
-1.165132
other
Zr4O12F20
36
43
551.12
mp-1189776
7.76067
8.135221
-3.294165
other
Ag4Te2O12
18
43
280.26
mp-1204013
9.254647
7.1415
-2.869363
other
Ca8Si12O44
64
43
949.97
mp-2352352
8.762075
14.510962
-1.228734
other
Mn4Ni2O8
14
43
158.94
mp-725468
8.350451
7.63999
-3.757356
other
Ba2Al4O12
18
43
274.4
mp-28514
6.871201
6.016674
-3.170429
other
Ba2Br4O12
18
43
327.51
mp-1178548
6.498704
10.908691
0.501054
other
Ba16Co14O38
68
43
1,099.29
mp-707412
8.048435
0.829982
-4.382469
other
H88C40O12
140
43
1,500.59
mp-1189020
6.78438
4.825741
-4.637632
other
U2C4O14
20
43
415.08
mp-556295
10.22531
10.663124
-3.599446
other
V4Te4O18
26
43
341.73
mp-28897
-8.769446
-1.701746
3.798178
other
B4Ir4Pd4
12
43
149.44
mp-1120740
9.066586
2.092004
1.642171
other
Na2Ti6F20
28
43
398.39
mp-625959
11.462095
4.617137
-4.274109
other
Ta4H8O14
26
43
303.05
mp-28405
6.343718
4.399712
-4.375619
original
S2Cl4O4
10
43
222.49
mp-570544
2.150757
2.853932
-4.460423
other
Zr2Se4Cl24
30
43
855.41
mp-1225112
-3.724309
-1.370479
-5.607224
other
Ga4Ge4S16
24
43
1,263.9
mp-684056
14.35736
7.380012
-5.714543
other
Ti24P18O90
132
43
1,639.85
mp-1201810
7.292555
6.646996
-3.243023
other
K6I12O36
54
43
965.68
mp-753813
6.611817
5.867312
-3.577844
other
Ca2Cl4O12
18
43
243.67
mp-1217594
13.528162
9.221081
-6.553488
other
V24P18O90
132
43
1,608.43
mp-1182835
6.325054
4.532396
-3.461554
other
C4N16O8
28
43
340.04
mp-505508
10.155826
12.141128
-3.948864
other
V4Cu4O14
22
43
282.4
mp-625621
11.284408
5.056953
-4.145254
other
Ga4H4O8
16
43
133.62
mp-1193528
6.797799
6.491297
-3.706875
other
Ca2I4O24
30
43
562.63
mp-1214387
12.918069
6.501496
-5.499949
other
Ba2P4O10
16
43
271.41
mp-1225866
-5.258624
-2.75557
-4.210902
other
Cu8Ge4Se12
24
43
531.1
mp-541104
10.610644
-0.03798
0.399873
other
Na2Mn6F20
28
43
375.11
mp-1225897
-4.582408
-1.318237
-5.955203
other
Cu8Si4S12
24
43
425.42
mp-556778
8.497646
1.710438
-0.026975
other
Ba4Te4F24
32
43
513.16
mp-674858
-5.618706
-0.790666
-4.061718
other
Co2Ni4S8
14
43
201.18
mp-1044170
9.084595
8.021857
-5.450655
other
Cr4P4O20
28
43
331.09
mp-1192817
6.268171
5.492491
-4.339017
other
Cd2N4O20
26
43
424.15
mp-1182749
6.62077
6.135922
-3.747039
other
Ca2I4O24
30
43
737.71
mp-1101637
-4.174904
-0.324181
-4.717946
other
Ti4Cu2S8
14
43
241.55
mp-675531
-3.767075
-1.87198
-5.375607
other
Na2Bi2S4
8
43
196.17
mp-1043556
11.93455
7.440727
-6.726519
other
Sb4P4O20
28
43
355.77
mp-27042
13.241817
8.379365
-7.367426
other
Cr2P2O8
12
43
142.84
mp-1043572
8.028804
8.206853
-3.832455
other
Bi4P4O20
28
43
409.47
mp-557101
-2.390815
-0.311381
-4.602615
other
Sn2S32I8
42
43
1,405.75
mp-30201
5.96358
11.461582
0.414829
other
Ba16Co14O42
72
43
1,034.99
mp-651075
9.774002
12.231607
-0.602068
other
Nb16Ni32O72
120
43
1,312.67
mp-1208255
6.165683
5.760522
-4.440851
other
Th2N8O34
44
43
604.17
mp-571313
2.134057
2.84217
-4.413181
other
Hf2Se4Cl24
30
43
849.74
mp-28512
6.688008
5.81714
-3.449893
other
Ba2Cl4O12
18
43
305.16
mp-1179755
-2.627991
-0.371816
-4.470839
other
Sn2S32I8
42
43
1,858.2
mp-30141
6.053041
5.161798
-4.440625
other
Be2N12O28
42
43
546.96
mp-1191021
5.442092
-0.448062
-3.052781
other
Ca2B4H16
22
43
219.17
mp-28477
6.673311
5.863422
-3.530244
other
Sr2Cl4O12
18
43
269.85
mp-28513
6.526787
5.9291
-3.576508
other
Pb2Cl4O12
18
43
276.64
mp-1407369
-4.539819
-1.469928
-5.769323
other
Li4Cu4S4
12
43
203.16
mp-771691
-1.012502
2.363905
-3.049892
other
Ca4Pb4I24
32
43
1,482.54
mp-677349
-4.974423
-4.978304
0.541508
other
Li22Mn2As12
36
43
657.65
mp-780913
11.971487
12.638204
-1.271029
other
Na8V4O12
24
43
266.47
mp-25886
9.143517
7.775709
-5.586784
other
Cu2P2O8
12
43
141.82