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-768716
8.428965
9.539857
-0.125017
other
Rb17Fe5O16
38
8
786.1
mp-1399365
8.559971
14.778561
-1.288806
other
Mg1Mn4O8
13
8
151.43
mp-752806
11.581107
-0.218274
1.419475
other
Mn6O2F10
18
8
233.87
mp-736931
10.476026
11.111691
-3.024655
other
Ga1W12O40
53
8
2,878.72
mp-756404
11.544784
1.507787
2.646993
other
Fe8O2F14
24
8
299.82
mp-1227660
-6.292526
-6.596632
4.034029
other
Ca2Zn1Ga3
6
8
125.15
mp-1226684
-8.585979
-2.039771
2.931041
other
La2In11Ni15
28
8
465.83
mp-1220538
12.850899
9.677759
2.165034
other
Nb5N2O2
9
8
109.17
mp-626506
10.868279
4.451685
-3.880609
other
Na2H2O2
6
8
67.48
mp-1224520
-7.112999
-3.697521
4.434862
other
Hf6Ga8Cu4
18
8
297.36
mp-1225643
-8.131306
-4.747993
5.61044
other
Er2Ga3Ni1
6
8
110.41
mp-765612
6.202452
8.576279
-0.087288
other
Ba8Bi4O17
29
8
552.27
mp-1216724
-5.542066
-0.408344
-4.105348
other
V1Fe2S4
7
8
98.14
mp-1656374
6.253437
12.582195
-1.406216
other
Zn8Ni16O32
56
8
581.05
mp-675101
1.629771
1.751133
1.447397
other
Ca10Nb2N10
22
8
362.86
mp-1403435
8.418161
12.975492
-0.742537
other
Ca2Fe4O8
14
8
179.04
mp-1327938
9.588872
8.705082
0.001841
other
Ca8Bi16O32
56
8
980.71
mp-1215096
1.091425
2.361605
-3.354223
other
Ag3S1I3
7
8
3,513.59
mp-1216989
9.995514
12.460188
-4.069625
other
V12Ag5O32
49
8
655.21
mp-685218
8.840227
13.327134
-1.161049
other
Fe24Co12O48
84
8
931.95
mp-1226512
-5.56683
-1.55807
-3.082434
other
Co1Ni2Se4
7
8
116.11
mp-758069
6.677608
11.051924
0.8052
other
Sr18Co12O35
65
8
922.3
mp-1276409
11.303632
8.018409
-4.534612
other
Co2As2O7
11
8
136.21
mp-850713
8.920539
4.236066
-6.523762
other
Bi2C1O5
8
8
109.87
mp-1224958
-8.712668
-0.099447
4.52575
other
La4Ta1Co33
38
8
504.7
mp-867986
8.068153
10.590308
2.00497
other
La18Ni12O41
71
8
924.56
mp-1101180
8.454309
13.417609
-1.008302
other
Zn11Fe25O48
84
8
940.76
mp-1245403
4.475266
2.327754
-3.259829
other
Pd3C24N18
45
8
848.92
mp-2233917
7.668124
8.924286
-0.894304
other
Mg1Bi4O8
13
8
279.14
mp-763249
10.409328
0.678329
-0.721687
other
Co6O2F10
18
8
208.93
mp-1225601
-2.696211
-2.787179
-5.705446
other
Er4Mn1S7
12
8
256.27
mp-1374435
1.559239
1.813875
1.352181
other
Ca11Mn2N10
23
8
420.87
mp-634755
5.327452
3.343213
-4.154529
other
C1S1O1
3
8
78.15
mp-1222396
-2.665843
-2.758507
-5.793151
other
Lu4Cr1S7
12
8
246.52
mp-1221337
10.600249
12.352612
2.243982
other
Na4Ti14O30
48
8
615.58
mp-754891
1.774163
1.754095
2.951708
other
Zr10N10O4
24
8
294.12
mp-1223946
-7.138421
-3.587451
4.379377
other
Hf2Ga3Ni1
6
8
98.77
mp-1223970
-2.711234
-2.719033
-5.748838
other
Ho4Mn1S7
12
8
259.68
mp-675941
2.00292
2.363627
0.603937
other
Li14I2N4
20
8
274.26
mp-2233456
6.608188
13.339579
-1.984617
other
Mg1Co4O8
13
8
147.59
mp-766077
11.019915
9.104774
2.015248
other
Sr5U5O19
29
8
431.42
mp-757258
9.416937
13.157627
-0.971331
other
Fe26Ni4O40
70
8
785.24
mp-1219227
-8.334998
-6.846006
4.000165
other
Sm2Al1Ag3
6
8
134.94
mp-676287
10.127686
8.689666
3.115208
other
Ce6Th4O19
29
8
428.89
mp-1228405
-5.540392
-6.534189
3.765535
other
Ba2Al1Ga3
6
8
159.88
mp-2051619
11.194701
4.196478
-4.074323
other
Cd2H4O4
10
8
99.72
mp-1225457
-7.781604
-6.798755
3.234904
other
Eu2Ga1Ag3
6
8
147.14
mp-1331554
6.898215
13.587014
-1.615299
other
Ca8Co16O32
56
8
637.83
mp-1220953
-7.742533
1.017929
5.08351
other
Nd3Er1Fe34
38
8
515.49
mp-676210
1.235905
1.912219
-4.650517
other
Li4Ti4Cl12
20
8
537.65
mp-676076
-4.610433
-1.348645
-5.653205
other
Cu11Sb4S13
28
8
561.94
mp-1216494
9.956823
12.484522
-4.143067
other
V6Ag1O15
22
8
277.46
mp-780704
15.094812
12.572622
-0.842893
other
V6O8F4
18
8
202.45
mp-850883
8.409298
4.487759
-1.258308
other
Fe8O10F6
24
8
275.38
mp-1258739
-4.535779
-1.114049
-6.066968
other
Al14Cu3S24
41
8
744.35
mp-1215973
-3.216004
-2.218139
-5.245484
other
Yb4Cd1S7
12
8
283.65
mp-1217043
-9.040437
-2.215795
3.440699
other
U2Cu5Ni5
12
8
158.49
mp-757293
13.160245
11.796931
-0.14291
other
Li3V8O11
22
8
198.83
mp-1220090
-6.282133
-2.689853
-0.339947
other
Ni3Sb2Te2
7
8
139.06
mp-37030
10.219916
9.474896
0.290368
other
Ta1Bi3O7
11
8
165.32
mp-545541
8.994214
3.98222
-7.267631
other
Na4C1O4
9
8
138.48
mp-676765
9.390344
8.884754
0.222355
other
Na21In5O15
41
8
703.91
mp-1274024
6.825557
10.231762
-0.719838
other
Rb8Co4O12
24
8
415.46
mp-1016144
8.677305
14.880378
-0.859664
other
Mg1Mn3O6
10
8
106.69
mp-1221513
-5.731858
-1.468228
2.011202
other
Mo2As3P1
6
8
99.44
mp-1176858
8.10926
13.043263
-0.760081
other
Li8Co5O10
23
8
250.19
mp-759924
9.820489
8.484741
-0.735667
other
Bi14S1O24
39
8
645.98
mp-998605
1.343948
2.478745
-5.711938
other
Rb1Pb1Cl3
5
8
186.76
mp-1385424
12.861958
10.252326
1.870989
other
Ti4Zn4O8
16
8
186.75
mp-532426
12.344918
7.698865
-0.206244
other
Al20Cu10O40
70
8
676.55
mp-1047243
10.799407
9.339216
0.128614
other
Zn8Sn16O32
56
8
858.75
mp-1209146
7.084519
6.854393
-2.590833
other
Ti1Hg3O3
7
8
454.93
mp-2233790
7.993668
8.835594
-0.806088
other
Mg1Bi4O8
13
8
276.86
mp-1226994
-7.369364
-4.936959
2.641291
other
Mg16Co24Sn80
120
8
2,664.85
mp-1185751
-6.167969
-8.754627
5.798202
other
Mg17Al11Si1
29
8
581.57
mp-1358036
6.928759
9.563551
-1.538346
other
Mg6Ag12O24
42
8
542.05
mp-1225624
-6.532848
-6.812708
4.466054
other
Eu2Mg1Ga3
6
8
142.86
mp-755102
8.180758
10.53434
-3.028482
other
K6Cr2O9
17
8
321.82
mp-530941
11.21708
12.84909
-1.69714
other
V12Co24O48
84
8
921.23
mp-771307
5.530888
12.245879
-2.509628
other
Fe5Co3O16
24
8
252.52
mp-676167
10.202779
10.04031
3.360452
other
Tb14Ti10O41
65
8
817.08
mp-1355848
7.093981
11.168374
-1.059056
other
Mg6Cu12O24
42
8
441.12
mp-763319
13.22084
13.251035
-1.837725
other
V6O10F2
18
8
192.66
mp-530953
10.187356
9.673984
3.366317
other
Ho16Ti8O40
64
8
834.62
mp-1393149
5.703456
11.97484
-1.895917
other
Mg1Fe4O8
13
8
154.54
mp-754058
10.604254
8.619667
2.855977
other
Ce3Th2O9
14
8
217.77
mp-998152
8.490715
0.869465
0.391421
original
Tl1Ag1F3
5
8
86.83
mp-532424
12.526812
7.531177
0.605247
other
K2Al22O34
58
8
636.33
mp-1356914
11.537934
12.787452
-0.40222
other
Mg6Cr12O24
42
8
456.51
mp-531811
-2.746644
-2.601539
-5.850097
other
Ho20Cd10S40
70
8
1,798.52
mp-1225666
-2.648292
-2.757488
-5.700922
other
Er4Cr1S7
12
8
252.78
mp-1045540
8.238839
16.423737
-0.4218
other
Li3Mn4O8
15
8
151.14
mp-676459
8.555099
1.1807
1.931134
other
Ca2La1F7
10
8
138.96
mp-1041123
12.861835
10.205841
0.280801
other
Zn6W12O24
42
8
554.95
mp-998154
-0.547782
1.247511
-4.360621
other
Tl1Ag1Br3
5
8
158.15
mp-653287
8.887978
1.30557
1.03365
other
Cr6Pb10F38
54
8
867.3
mp-998732
1.363734
2.414436
-5.539775
other
Tl1In1Cl3
5
8
158.85
mp-1219321
-7.747703
1.012532
5.108858
other
Sm4Cr1Fe33
38
8
522.47
mp-771199
10.984396
13.117687
-3.309378
other
V3Fe1O8
12
8
145.03
mp-760440
11.445535
8.668895
2.150992
other
Sr2U4O11
17
8
248.34