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-29248
10.03273
12.687286
-0.378241
other
Ca2Fe7O11
20
12
217.69
mp-1193684
10.555532
7.779438
-2.771127
other
Fe6Si4O18
28
12
353.85
mp-28550
8.511594
1.346932
0.321194
other
Hf2Ag3F14
19
12
282.37
mp-755637
9.698216
1.024203
-0.531518
other
Ni6O2F10
18
12
204.97
mp-12039
-3.286316
0.476478
2.77425
other
Gd2Mo2C3
7
12
105.84
mp-1174365
4.112499
19.411884
-1.854156
other
Li7Co5O12
24
12
213.44
mp-2223319
6.720734
13.686491
-1.742617
other
Mg1Co2O4
7
12
72.47
mp-1078971
-2.507379
0.15296
-5.256881
other
V2P2S6
10
12
202.87
mp-1401498
10.287188
9.559245
0.112271
other
Mg2Sn3O8
13
12
166.77
mp-685431
12.62473
11.421296
1.884311
other
Na11Ti20O40
71
12
873.43
mp-1206284
-0.63565
0.734914
-2.364795
other
La2C2Br2
6
12
156.8
mp-510426
-5.690361
-2.354136
-1.513811
other
Ta4Te16Pd3
23
12
656.22
mp-626549
12.96246
11.071011
-2.884274
other
V6H4O13
23
12
253.37
mp-1197227
-8.822854
-0.145939
2.59557
other
Dy3Ni19B10
32
12
327.9
mp-1100487
7.070755
19.637396
-0.125668
other
Li9Mn7O16
32
12
300.26
mp-1104473
-5.427025
-1.762856
-3.740554
other
K1Cr5Se8
14
12
308.54
mp-36806
8.8618
12.996737
-1.100469
other
Fe11Ni8O24
43
12
463.26
mp-20067
7.692483
11.303489
-0.359512
other
Na5Os1O6
12
12
140.51
mp-1225473
-5.718465
-3.973257
4.937191
other
Er2Si2Pd2
6
12
112.39
mp-1226567
-5.240567
-1.077588
-3.80423
other
Co4Ge6S6
16
12
271.29
mp-1238791
-5.778525
-0.189202
-5.567531
other
Cr2Cu1S4
7
12
106.8
mp-1245975
1.407958
1.802929
1.322014
other
Ba8Mn3N8
19
12
435.78
mp-756191
8.010148
14.064135
-1.770023
other
Mn5Cu1O12
18
12
215.79
mp-755023
8.314075
14.27308
-0.984683
other
Mg2Mn3O8
13
12
130.71
mp-754083
7.419554
13.042723
-1.040025
other
Li2Ni5O7
14
12
119.11
mp-1029528
1.149566
2.326702
1.519504
other
Na4Co4N4
12
12
215.27
mp-776117
10.798618
-0.090948
0.293241
other
Li1Mn1F4
6
12
63.77
mp-1101284
11.478392
12.15689
2.089644
other
Ti6Nb2O16
24
12
266.89
mp-863367
5.944668
8.946797
-1.495359
other
K6Bi6O18
30
12
512.63
mp-1197921
8.458423
1.603701
-4.219551
other
H16S16N4
36
12
1,193.51
mp-1191976
10.655963
12.753276
2.240467
other
Ti6H2O13
21
12
261.54
mp-764436
8.995045
13.403749
-1.031619
other
Mg5Fe19O32
56
12
623.08
mp-505070
11.025375
11.297878
3.031481
other
Ce2Ta6O18
26
12
313.43
mp-989635
0.666335
2.42869
1.97282
other
Ca2Mo2N6
10
12
140.1
mp-757032
9.096764
8.499338
0.15032
other
Cs6Er2O6
14
12
373.35
mp-1220679
-8.160722
-3.278837
5.21911
other
Nd2Ga18Co6
26
12
440.06
mp-637251
-4.564035
-2.946908
-3.59436
other
Cs4Si2Se8
14
12
512.47
mp-11691
9.601466
8.568078
2.594406
other
Nd4Hg2O8
14
12
233.71
mp-983597
11.385183
8.462831
2.550143
other
Sm6Sb2O6
14
12
284.5
mp-1190006
-6.787124
-4.425121
5.175857
other
Pr4Al2Ge12
18
12
386.59
mp-1220610
-8.651863
0.04748
4.159052
other
Nd2Co17N2
21
12
257.01
mp-1226677
-2.675956
-2.811906
-5.295695
other
Ce1Ho4S7
12
12
279.15
mp-774530
10.476412
12.011313
2.543848
other
Ba8Ti22O52
82
12
1,099.24
mp-1025341
-4.446395
-2.741223
-3.952424
other
Si2Ni1Se4
7
12
139.2
mp-754766
9.973071
2.491096
1.524623
other
Li1V1F4
6
12
78.95
mp-582648
-0.86875
1.297708
-3.981787
other
Rb2Re6Br20
28
12
873
mp-30153
7.848152
13.691153
-0.290855
other
Ba2Mn6O12
20
12
246.9
mp-1246183
1.136274
1.69915
1.030353
other
Ti4S3N2
9
12
134.9
mp-1105361
11.42321
10.21418
1.759144
other
Dy5Mo2O12
19
12
249.15
mp-1220541
-4.59065
-0.958345
-3.03145
other
Nb4Ge1Se8
13
12
290.22
mp-760539
12.707872
11.807257
1.621129
other
Li2Ti3O6
11
12
112.51
mp-650929
10.58141
12.346353
2.227367
other
Na2Ti9O19
30
12
357.67
mp-777377
10.425002
0.666209
-0.655829
other
Co6O2F10
18
12
210.61
mp-1192855
-4.08342
-3.613557
-2.697631
other
U8Co1Se17
26
12
657.41
mp-28523
1.352327
1.821481
2.467586
other
Li4Ta6N10
20
12
198.87
mp-568903
-5.329276
-1.423377
-3.400172
other
Tl1V5Se8
14
12
286.9
mp-1246668
0.229536
2.740003
1.84892
other
Mn3Fe8N8
19
12
191.88
mp-1219017
-8.315667
-5.095557
3.664282
other
Sm2Ge2Pd2
6
12
125.26
mp-13263
-3.385783
0.453293
2.707699
other
Ce2Mo2C3
7
12
106.24
mp-1220018
-7.179395
-0.636423
4.450671
other
Pr2Mn17C2
21
12
269.83
mp-1025372
-3.049661
0.518669
2.629895
other
Y2Cr2C3
7
12
94.29
mp-1048666
-3.939709
-0.332503
-4.60119
other
Ca3Ti8S16
27
12
565.12
mp-759692
12.288686
13.558475
-0.780789
other
Li7V5O12
24
12
214.47
mp-1025264
-3.677638
0.430656
2.688807
other
U2W2C3
7
12
100.76
mp-1312332
8.578418
14.818241
-1.237356
other
Li2Mn14O24
40
12
408.24
mp-17289
10.574518
10.838521
-3.588895
other
Co4Mo4O16
24
12
296.42
mp-1173983
3.962285
19.686735
-1.814632
other
Li6Co4O10
20
12
177.17
mp-1246140
0.178793
2.763842
1.877337
other
Fe10Cu1N8
19
12
182.38
mp-18864
11.348397
10.735913
-2.11543
other
Rb4W2O8
14
12
286.91
mp-19280
7.869085
10.371245
-3.767569
other
Na2Cr6O16
24
12
339.81
mp-1069055
2.160601
2.585926
-3.491534
other
Cu1Br2N2
5
12
118.21
mp-1095458
-6.307693
0.872337
2.720028
other
Ce2Ni5B4
11
12
134.35
mp-28671
-0.965059
0.905312
-4.00855
other
Zr2Te4Br10
16
12
583.27
mp-1104974
-5.407403
-1.734585
-3.780468
other
Cr5In1Se8
14
12
304.09
mp-8429
8.306239
9.695968
0.212867
other
K4Ir1O4
9
12
170.91
mp-758593
6.039792
13.097012
-1.4405
other
Li7Ni13O24
44
12
405.23
mp-1025207
-6.266432
-2.530128
-1.608367
other
Ti1Cr2Te4
7
12
175.14
mp-1222208
-9.075717
-4.492933
4.316873
other
Mg6Al4Cu8
18
12
268.49
mp-8392
-5.143023
-3.368587
5.5261
other
Sc6Si6Ni2
14
12
234.03
mp-18740
10.682446
12.21432
-3.724945
other
V2Cd2O7
11
12
156.11
mp-21126
10.073256
12.093317
-3.817386
other
V4Pb2O12
18
12
260.11
mp-2220145
12.654317
12.974748
-1.307044
other
Mg1V4O8
13
12
142.91
mp-754896
6.060498
13.212787
-1.477793
other
Li3Ni4O8
15
12
130.68
mp-2219384
8.500359
14.69414
-1.047387
other
Mg1Mn4O8
13
12
142.09
mp-676398
1.406282
2.520507
-5.76558
other
Rb2Cr1Cl4
7
12
201.87
mp-1273769
7.901154
11.752431
2.258128
other
La4Mn4O12
20
12
248.54
mp-752462
6.743959
13.503724
-2.374886
other
Cr1Co2O6
9
12
101.2
mp-1396659
6.383713
8.909987
-0.825424
other
Ca2Bi3O8
13
12
217.72
mp-1246249
1.781441
2.493592
0.970614
other
Mn2Cd9N8
19
12
305.82
mp-3062
-2.444195
-3.141543
-5.31577
other
Sm4S3N2
9
12
205.72
mp-977592
-6.825443
-3.354107
0.156473
other
Bi4Rh6S4
14
12
281.08
mp-1232165
-3.41115
-1.768729
-5.371712
other
Yb4Mg4S12
20
12
518.66
mp-19212
11.341599
10.852491
-3.409774
other
Rb4Mo2O8
14
12
282.51
mp-1227419
-6.856161
-2.09935
6.286942
other
Ca1Mn3Al9
13
12
206.04
mp-17174
-4.667355
-1.639748
-5.6833
other
K3Cu8S6
17
12
310.39
mp-756471
6.012214
13.158741
-2.604881
other
Fe1Co5O12
18
12
210.98
mp-1245700
0.229762
2.374906
1.978578
other
Mn2Co1N2
5
12
48.53
mp-1101682
9.774992
9.294532
0.138102
other
Na5Sb1O5
11
12
141.38
mp-975271
-4.847662
-1.660813
-3.08745
other
Rb1Ti5Se8
14
12
311.37
mp-1205627
-1.263374
1.491279
-3.118448
other
Nb2Se4I4
10
12
326.4