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-546285
-1.323566
1.907389
-2.99859
other
Nb2I6O2
10
5
336.67
mp-1193708
-2.489008
-0.362854
-5.430308
other
Al4P6S18
28
5
639.42
mp-758753
8.345493
14.569398
-1.504309
other
Li3Mn18O36
57
5
672.32
mp-626037
14.236408
5.224191
-0.927165
other
Si4H4O10
18
5
242.78
mp-1639919
9.47092
14.707397
-0.05959
other
Li4Mn8O12
24
5
245.51
mp-1209192
3.003763
2.84269
-4.244423
other
Sb4Cl14F6
24
5
667.8
mp-1221861
-6.377214
0.049681
3.461199
other
Mn8Fe2C4
14
5
129.08
mp-759410
13.667449
12.264239
-3.264765
other
V4O5F7
16
5
209.59
mp-753234
8.53357
14.917811
-1.092769
other
Li1Mn7O12
20
5
227.64
mp-752486
5.297947
12.060677
-2.448208
other
Fe6O9F3
18
5
196.62
mp-675089
0.156995
2.06144
2.295897
other
V5N4O1
10
5
89.99
mp-754703
8.394434
14.648479
-1.752038
other
Mn6O11F1
18
5
181.08
mp-676110
-4.083857
-4.254117
-3.725842
other
Tb14Pb3Se24
41
5
1,032.37
mp-774501
7.595452
12.215613
-0.711848
other
Li9Fe2O8
19
5
197
mp-1221516
12.150432
8.779787
-3.905229
other
Mo2H2O6
10
5
117.51
mp-632282
9.169528
1.792081
-0.816447
other
Na1H1F2
4
5
39.92
mp-1104405
7.688815
6.009867
-4.972258
other
Na2S4O8
14
5
261.41
mp-758820
5.861147
12.992617
-1.500521
other
Li7Ni12O24
43
5
404.92
mp-1235567
12.377137
12.28927
-1.91106
other
Li1V4O8
13
5
168.25
mp-1221818
11.24537
12.811182
-3.457224
other
Mn2V2O7
11
5
146.56
mp-1218480
7.854805
10.306898
0.800652
other
Sr5Ir3O11
19
5
264.86
mp-756822
10.938328
2.821159
1.49347
other
V4O1F11
16
5
196.31
mp-779605
10.114206
1.143852
0.296418
other
Cr8O2F22
32
5
397.96
mp-1215136
8.791493
13.244951
-1.040091
other
Ca6Fe30O50
86
5
1,020.76
mp-550320
8.897119
3.442438
-7.880805
other
Li4C1O4
9
5
81.78
mp-1226660
-7.147728
-0.554161
3.322074
other
Co19Si8B4
31
5
315.35
mp-1219118
5.855378
11.498981
0.153442
other
Sr18Co14O45
77
5
1,006.62
mp-759807
13.716183
12.293543
-3.314088
other
V4O5F7
16
5
207.08
mp-1276097
10.677888
4.665917
-4.19022
other
Co2H4O4
10
5
88.66
mp-1312918
11.419218
12.729885
-3.379973
other
V4Cr2O12
18
5
247.03
mp-769472
8.274117
12.534646
-0.398848
other
Li22Ni4O16
42
5
402.91
mp-763200
9.878865
12.915333
-3.65348
other
Li2V2O6
10
5
107.93
mp-754465
10.346335
1.337066
-1.78965
other
Co6O5F7
18
5
193.56
mp-757535
7.573164
12.916476
-0.845546
other
Li35Ru12O48
95
5
892.89
mp-752836
7.667221
10.084082
-3.772478
other
Cr4Cu1O12
17
5
244.7
mp-1235054
14.593507
6.494678
-0.410655
other
Li1Si6O12
19
5
265.79
mp-753365
12.532938
13.121494
-1.287079
other
Na1V3O6
10
5
115.79
mp-555966
10.228556
11.543349
2.895277
other
Ba3Ti6O15
24
5
308.41
mp-764387
12.84827
-0.854617
0.415465
other
Mn8O8F8
24
5
272.18
mp-1227559
12.347427
6.401891
0.020049
other
Ca4Si2O8
14
5
188.49
mp-996960
6.36757
5.242094
-4.473592
other
Ag2N2O4
8
5
129.52
mp-1223897
11.360662
8.302057
2.639694
other
Ho8Sb3O8
19
5
349.16
mp-863076
10.832629
10.54997
1.708087
other
Nb1Bi1O4
6
5
98.23
mp-676109
1.465572
2.355002
-5.404002
other
Li18In6Cl36
60
5
1,339.75
mp-1176655
8.775592
15.486491
-1.508323
other
Mn6O9F3
18
5
191.31
mp-531991
8.524355
1.441631
1.499539
other
La6Zr8F47
61
5
1,042.21
mp-1274278
13.103935
12.119679
-0.192051
other
Al4V8O16
28
5
296.12
mp-1226208
11.314932
8.844563
1.073122
other
Cs2U2O7
11
5
226.23
mp-759676
10.849647
12.714997
-4.54776
other
V4O7F5
16
5
201.15
mp-755019
14.20678
12.769745
-1.284724
other
V8O12F4
24
5
248.34
mp-1224268
-6.111344
-3.412719
-2.126638
other
In5Ag1Te8
14
5
505.12
mp-1197854
10.609753
9.736054
-1.841059
other
Bi14Mo5O36
55
5
863.84
mp-626689
12.889617
6.189037
-3.455997
other
Fe1H2O2
5
5
43.85
mp-1080483
6.026609
2.441204
-3.013422
other
B2C4N2
8
5
51.48
mp-26232
8.667899
7.916101
-5.057856
other
Ni1P2O7
10
5
124.01
mp-853024
11.52753
7.793721
1.673683
other
La8Al12O30
50
5
691.74
mp-777876
12.818528
0.86184
2.190006
other
Fe10O6F14
30
5
360.83
mp-675396
-2.749042
-2.699188
-5.479855
other
Sm3Eu3S8
14
5
315.48
mp-763923
10.464302
0.960002
-1.356132
other
Co6O4F8
18
5
203.05
mp-1046585
11.749255
11.007391
-2.302873
other
Te6W10O36
52
5
892.14
mp-849296
13.372413
0.412461
1.193853
other
Fe10O9F11
30
5
350.86
mp-1202794
7.834573
0.109076
-4.528927
other
Si20H114C38
172
5
2,040.6
mp-1215996
9.084758
7.575077
-5.113836
other
Zr2P4O17
23
5
386.29
mp-1220965
10.462852
11.005611
-0.453329
other
Nd16W12O60
88
5
1,271.34
mp-1227363
8.609712
1.408182
-0.272474
other
Ca1Al2F10
13
5
190.98
mp-32108
13.983536
8.801053
-5.132249
other
Mo4P6O22
32
5
449.38
mp-759588
9.549168
8.703858
-0.469079
other
Cr1Bi14O24
39
5
663.52
mp-769218
-3.001067
-0.422706
-4.922011
other
Ni1P2S6
9
5
197.25
mp-849329
10.22724
0.635853
-0.458403
other
Co6O1F11
18
5
214.09
mp-1042240
10.697228
9.485587
-0.295573
other
Zn2Sb4O8
14
5
228.37
mp-755906
8.890548
14.115381
-1.335872
other
Mn5Cr2O12
19
5
217.62
mp-1210763
6.105508
0.516905
-3.316289
other
Li2B7H7
16
5
157.38
mp-1016556
-6.38504
-11.776894
6.123785
other
Cs1Mg6C1
8
5
226.69
mp-1177832
8.332621
14.408543
-1.589337
other
Li3Mn28O56
87
5
1,003.1
mp-1219171
-5.175227
-3.589021
5.577157
other
Sm4Si9Ni7
20
5
308.14
mp-1225821
11.773131
7.549243
-6.885232
other
Cu2P2O7
11
5
124.75
mp-1176882
6.282596
12.684913
-1.321192
other
Li7Fe5O12
24
5
222.27
mp-1412254
10.023759
0.542409
0.00608
other
Ca1Mn2F10
13
5
196.61
mp-767265
9.65837
8.605559
-0.554234
other
V1Bi25O40
66
5
1,129.63
mp-1003548
8.624874
14.226248
-0.21016
other
Ca4Mn8O16
28
5
362.94
mp-1183410
11.828297
11.068558
0.54715
other
Ba10V10O28
48
5
728.74
mp-770769
4.499689
18.740265
-1.781364
other
Li7Co5O12
24
5
199.14
mp-753711
13.526887
5.271118
-6.383218
other
Ca3P2O8
13
5
181.37
mp-759520
11.34103
2.896557
1.380751
other
V8O4F20
32
5
412.06
mp-997022
11.233139
7.906902
-3.145507
other
Ag2As2O4
8
5
140.81
mp-770855
12.393245
12.697351
-0.592752
other
V4Cr4O12
20
5
198.95
mp-1221843
-6.660995
-1.671753
5.629489
other
Mn6Al8Si4
18
5
228.7
mp-1778883
9.988659
1.308289
1.679876
other
Mg2Fe2F8
12
5
133.67
mp-2218996
10.249688
13.610354
-1.340126
other
Mg1Cr4O8
13
5
150.6
mp-997499
10.809585
11.558496
3.338581
other
Tb2Ta6O18
26
5
368.77
mp-759886
14.059287
11.930173
-2.211695
other
V6O6F12
24
5
319.89
mp-2230053
6.542033
13.42835
-2.048114
other
Mg1Co7O12
20
5
209.89
mp-1229219
-5.847248
-2.963335
-2.000777
other
Ag3Te32Au13
48
5
1,394.11
mp-1289193
7.00237
10.751424
-0.935166
other
K4Co4O8
16
5
252.61
mp-763201
15.075865
12.472729
-0.777632
other
V6O7F5
18
5
205.21
mp-756164
8.360949
11.889876
-1.630419
other
Ni5Te2O12
19
5
222.5
mp-1215990
-4.415131
-1.559258
-6.5368
other
Zn12S10Cl4
26
5
650.55
mp-1188075
7.935186
8.636889
-3.165376
other
Yb6Te3O18
27
5
364.29
mp-676450
-0.471252
0.933873
-4.003814
other
Li6U3Br18
27
5
956.77
mp-645330
8.323696
4.476118
-6.272177
other
Cs4C1O4
9
5
229.8