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-7219
-4.761187
-2.922856
-3.621835
other
Na4Zr2Se6
12
12
286.57
mp-1045492
-4.887713
-1.016081
-5.337371
other
Y2Mn4S8
14
12
295
mp-11639
-3.515648
-1.39881
-5.403479
other
Rb4Ge2S6
12
12
372.74
mp-1179025
10.371671
9.947548
0.974993
other
Ti3Bi4O12
19
12
251.01
mp-754098
9.790971
12.86257
-3.773547
other
Li2V2O6
10
12
109.48
mp-18957
8.549621
15.436473
-0.156349
other
Na1Mn1O2
4
12
42.93
mp-1174044
4.01975
19.527601
-1.830346
other
Li6Co4O10
20
12
178.57
mp-1210863
6.072849
3.71214
-4.588374
other
Mn1C6O6
13
12
598.69
mp-768114
11.461276
12.735958
1.703772
other
Li12Ti18O40
70
12
755.93
mp-28580
0.888995
1.194281
-4.685833
other
Y4N2Cl6
12
12
275.66
mp-561583
10.573353
9.621091
-2.714149
other
Co14As4O24
42
12
453.8
mp-5594
12.753155
6.437508
0.053426
original
Sc2Si2O7
11
12
127.04
mp-1225254
-7.080578
-6.48854
3.601746
other
Eu2Ag2Ge2
6
12
140.72
mp-557809
2.141518
2.798951
-4.425624
other
Sb2S2Cl18
22
12
670.71
mp-759178
8.521083
12.118123
-0.703277
original
Zn2Ni3O5
10
12
97.03
mp-1214592
8.832412
1.190254
1.398382
other
Ba4Zn6F20
30
12
411.45
mp-1400858
6.253414
12.535387
-1.454965
other
Zn2Ni4O8
14
12
145.99
mp-766163
9.756173
10.097958
0.177347
other
Ti1Sn9O20
30
12
359.01
mp-1220833
-7.722066
-4.599408
2.908704
other
Pr9Ni24Sn49
82
12
1,741.93
mp-1237978
-3.345676
-1.8948
-5.448301
other
Yb4Mg4S12
20
12
422.65
mp-31518
8.470471
12.74431
-1.504767
other
Nb2Co2O8
12
12
146.76
mp-25579
12.724045
11.22165
-1.343454
other
Y1Mo3O8
12
12
161.41
mp-1181921
6.831645
6.027012
-3.969112
other
Ca2S2O12
16
12
320.17
mp-31372
12.353661
13.241031
-1.569807
other
Li3V6O13
22
12
234.58
mp-1225032
13.531868
5.084466
-2.357955
other
Ga8B4O18
30
12
372.3
mp-1194550
-4.739935
-5.349954
0.595423
other
Ca42Zn8As36
86
12
2,100.19
mp-1173945
6.797309
19.795593
-0.276024
other
Li6Mn4O10
20
12
182.69
mp-1196239
10.630655
11.879137
0.261054
other
Lu6Fe12O24
42
12
526.58
mp-1213692
-6.034959
-3.285627
-2.508414
other
Cs2Ag6Te4
12
12
365.89
mp-22629
-7.412402
-4.10346
5.495044
other
Tb4Co2Ge4
10
12
210.02
mp-674499
-4.118224
-0.061877
-3.817286
other
Nb17Ir3S40
60
12
1,241.65
mp-1209506
-4.722532
-3.068604
-3.489395
other
Rb6Bi18Se30
54
12
1,762.66
mp-1192386
-8.268504
-5.244686
2.791528
other
Nd6Sn10Pd10
26
12
568.81
mp-1025151
-5.642104
-1.435558
-3.71125
other
Cr2Ni1Se4
7
12
127.6
mp-1281871
6.972668
10.853677
-1.007398
other
K4Co4O8
16
12
255.35
mp-7028
8.731205
1.743787
0.48284
other
Yb2O2F2
6
12
76.2
mp-756103
9.876667
8.832748
3.017226
other
Y4Hg2O8
14
12
208.03
mp-1221924
-1.091302
2.719411
-3.138273
other
Mn2Cr1I6
9
12
325.2
mp-753841
12.53193
12.394035
-0.327952
other
Mg8V5O16
29
12
301.68
mp-1220729
3.231281
-0.417156
-2.294903
other
Nb2H8Se4
14
12
166.37
mp-1222319
-9.003734
-6.099172
3.689453
other
Lu2Ga2Au2
6
12
117.16
mp-1282942
5.58016
10.575552
-2.134461
other
Li12Fe4O16
32
12
278.62
mp-1069855
4.235416
4.189304
-3.679942
other
Co1Cl2O2
5
12
97.24
mp-757215
10.595093
8.300727
1.360684
other
Gd5As2O12
19
12
260.9
mp-25258
6.45561
13.282106
-1.303336
other
Li4Ni4O8
16
12
148.09
mp-1221242
6.422515
13.757067
-1.723298
other
Na3Co4O8
15
12
169.2
mp-1215645
-4.722937
-1.901024
-3.156852
other
Zr2Ni1Se4
7
12
146.5
mp-1098010
7.256513
9.073726
0.494686
other
Li2Eu5O8
15
12
197.92
mp-752850
6.34938
13.531746
-1.288885
other
Li4Ni4O8
16
12
132.98
mp-1246451
0.517951
2.693544
1.730225
other
Fe2Ni9N8
19
12
217.97
mp-1103598
-5.357567
-1.482816
-3.423872
other
Rb1V5Se8
14
12
305.04
mp-1245778
1.480388
2.461987
1.644373
other
Mg9Fe2N8
19
12
231.32
mp-1176693
10.107565
0.539523
0.413119
other
Li2Fe2F8
12
12
157.91
mp-1224764
-6.182639
-2.971314
-2.253182
other
Gd1Cu5Te4
10
12
225.41
mp-1004758
8.537268
14.635177
-1.221526
other
Mn3H2O6
11
12
97.52
mp-766216
11.787867
11.267976
-2.048654
other
Na4W9O27
40
12
508.75
mp-761132
8.476508
9.649745
0.400226
other
Ta5Pb11O26
42
12
646.84
mp-766058
9.15222
13.272165
-1.097517
other
Na2Fe16O24
42
12
473.25
mp-1174387
6.950803
19.786402
-0.156899
other
Li8Mn6O14
28
12
260.57
mp-683986
-3.038038
-2.382669
-4.776864
other
Yb11U4S22
37
12
885.27
mp-31012
-0.767496
0.855719
-3.744244
other
K4Nb6Br18
28
12
857.11
mp-1211896
8.76597
1.607345
0.830401
other
K3P1F6
10
12
277.6
mp-850422
6.041705
12.454281
-2.404749
other
Fe6O8F4
18
12
201.81
mp-1225709
-1.209978
2.511226
-3.392622
other
Cu4I3Br1
8
12
181.37
mp-1201357
-5.778937
-3.798863
-1.60128
other
Cs3Tm11Te18
32
12
1,169.13
mp-1226121
-4.707866
-3.032908
-3.518632
other
Cs2Bi8Se14
24
12
863.91
mp-1216193
-7.090407
-1.500705
6.380034
other
Y1Al9Fe3
13
12
197.08
mp-755360
5.709706
13.461826
-1.756334
other
Na4Co2O6
12
12
124.74
mp-1194009
-4.143412
-3.63596
-2.710703
other
Mg1U8Se17
26
12
675.63
mp-1221290
7.098132
8.408772
-1.042984
other
Na4Tb2O6
12
12
173.93
mp-1025181
-3.128019
0.556241
2.633238
other
Tm2Cr2C3
7
12
89.99
mp-31745
11.429486
7.770126
-7.173923
other
Cr2P8O24
34
12
527.4
mp-1400773
8.362108
13.277858
-0.758289
other
Ca2Fe4O8
14
12
173.16
mp-1078035
-3.043464
0.562702
2.571871
other
Sm2Cr2C3
7
12
98.43
mp-1095140
-7.634698
-3.513697
5.39075
other
Er4Co2Ge4
10
12
189.62
mp-754039
11.750393
11.615347
-0.761491
other
Y2V2O7
11
12
165.15
mp-1079622
-4.736019
-5.219239
0.585245
other
Ba3Zn2As4
9
12
255.91
mp-22007
-3.927895
-1.378049
-5.720459
other
Cs1In5S8
14
12
342.22
mp-1225205
-8.245816
-6.275462
3.039295
other
Eu2Ga2Au2
6
12
136.48
mp-27247
10.78765
10.865988
2.898964
other
Na12Nb4O16
32
12
388.05
mp-1209378
-1.05953
1.094739
-1.617609
other
Pr4Os1I5
10
12
387.39
mp-707440
3.420785
-0.676417
-2.520485
other
Sr4Mg6H20
30
12
348.72
mp-1193786
-5.392867
-5.786183
0.712518
other
Eu11Zn6Sb12
29
12
865.84
mp-18482
-7.295288
-3.458848
5.857165
other
Yb4Al23Ni6
33
12
549.93
mp-1226477
-6.28181
-3.524878
0.748314
other
Co20Sb60I4
84
12
1,885.21
mp-1219645
-4.7121
-3.004159
-3.520234
other
Rb2Bi8Se14
24
12
821.88
mp-23062
-0.574681
0.757952
-2.129903
other
Y2C2I2
6
12
152.5
mp-777772
12.066863
-0.672483
1.062164
other
Mn8O4F12
24
12
303.33
mp-1220563
-7.352049
0.813555
5.040414
other
Nd2Fe14Si3
19
12
258.55
mp-1214345
-4.788329
-4.089704
5.343206
other
Ba2Si24Pt10
36
12
612.82
mp-23382
-0.843328
1.006952
-1.632386
other
Y4C1I5
10
12
314.26
mp-676402
-4.102053
-0.130958
-4.559765
other
Ti8Cu3S16
27
12
471.29
mp-1182562
-2.929543
-8.030951
1.288446
other
Bi2Pd3S2
7
12
2,708.98
mp-1174068
6.798147
19.644386
-0.288654
other
Li6Mn4O10
20
12
184.23
mp-1232143
-4.478997
-3.92226
-3.838429
other
La2Mg2Se6
10
12
306.94
mp-30075
-4.171544
-0.09855
-4.386544
other
Ti4Fe1S8
13
12
220.98
mp-1215631
-7.975926
-4.872731
3.103854
other
Yb2Ge2Pd2
6
12
120.34
mp-1226060
7.495141
12.789275
-1.933884
other
Co4Sb1O8
13
12
147.73
mp-5864
-2.874352
-0.310547
-5.164502
other
Fe4P4S12
20
12
413.33
mp-1205799
-4.19716
1.961109
-4.926375
other
Mo2S4I4
10
12
316.42