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-1237973
-3.034662
-2.232201
-5.86794
other
Y2Mg2S6
10
12
261.79
mp-753632
-5.002995
-0.410233
-5.740129
other
Li4Cr2S6
12
12
190.98
mp-1205877
8.506994
8.626587
-0.130254
other
Cs2Tl2O2
6
12
171.95
mp-1406172
1.802687
2.186627
1.510124
other
Mg4Cu2N4
10
12
127.32
mp-1392068
12.831305
10.44241
0.23166
other
Mg2W3O8
13
12
151.42
mp-1444074
7.319663
11.279871
-0.902654
other
Mg2Cu4O8
14
12
147.84
mp-1048690
-3.62749
-0.848717
-4.874771
other
Ca3Ti4S8
15
12
293.08
mp-1272257
13.103024
12.120475
-0.193125
other
Al4V8O16
28
12
297.11
mp-1104961
-6.56591
-4.682513
0.377363
other
Bi8Pt5I3
16
12
471.52
mp-1079307
-7.638587
-3.317852
5.359163
other
Dy3Co2Ge4
9
12
167.39
mp-2353285
1.582405
2.587775
-5.488242
other
Tl2Co2Cl6
10
12
254.21
mp-540685
9.992964
12.460753
-3.895712
other
V2Cd1O6
9
12
107.27
mp-779386
11.819274
1.305076
2.674393
other
Fe6O2F10
18
12
222.12
mp-866522
-3.353932
-1.689257
-5.738608
other
Ca2Sn1S4
7
12
171.07
mp-1103728
-4.817779
0.270185
-4.625202
other
K1V5S8
14
12
246.35
mp-1001079
4.677248
2.325926
-3.319681
other
Li2C4N4
10
12
130.12
mp-1046933
8.623868
11.834944
-0.672314
other
Zn4Ni4O8
16
12
190.91
mp-1219247
-7.698624
1.075107
4.942043
other
Sm2Fe17C2
21
12
269.4
mp-1189266
-5.463118
-0.156503
-5.690463
other
K2Cr6S10
18
12
347.74
mp-1276849
12.776935
13.412778
-0.948943
other
Li4V6O12
22
12
227.69
mp-1068850
1.934965
2.2142
1.205934
other
Sr1B2N2
5
12
93.19
mp-1209826
8.092805
1.883301
-0.776003
other
Rb3Br1F12
16
12
353.2
mp-1068891
-8.142932
-5.583823
3.248533
other
Sr1Cu2Sn2
5
12
111.71
mp-780722
11.370809
8.676041
2.634392
other
Y6N2O5
13
12
195.9
mp-755764
5.908786
11.989125
-1.452689
other
Na4Ni2O6
12
12
126.66
mp-1174410
6.94449
19.790924
-0.163143
other
Li8Mn6O14
28
12
261.57
mp-1173235
7.506402
10.367185
0.349619
other
Sr3Ir2O7
12
12
195.86
mp-1173309
-3.409206
-4.206652
-3.262585
other
Sm10Sb3Se7
20
12
547.65
mp-1446592
12.803873
12.049959
-0.350218
other
Ca2V4O8
14
12
166.51
mp-1224493
-4.231853
-0.779297
-4.350515
other
Hf4Fe1S8
13
12
262.29
mp-1237340
-4.472273
-3.613851
-3.822766
other
Yb2Mg2Se6
10
12
248.61
mp-770932
9.8306
10.559592
-0.821055
other
Li2Sb2O6
10
12
115.4
mp-1226054
-6.188137
-2.292564
-1.01096
other
Co1Ni1Te4
6
12
140.59
mp-505273
10.52634
10.812507
-3.551741
other
Ni4Mo4O16
24
12
290.71
mp-1194359
-4.099922
-3.613293
-2.721974
other
U8Mn1Se17
26
12
672.02
mp-771973
1.086652
1.651219
-5.113457
other
Ba1La2Cl8
11
12
307.1
mp-996993
7.106816
6.514482
-3.446711
other
Cu1Br1O2
4
12
55.23
mp-676517
10.761444
8.751932
2.418148
other
La3U2O10
15
12
211.33
mp-1176502
10.553383
10.691142
3.298549
other
Lu2Nb2O8
12
12
181.85
mp-1025291
-4.800148
-1.226337
-2.600577
other
Ti1Nb2Se4
7
12
141.57
mp-755978
9.699383
1.029604
-0.540785
other
Ni6O2F10
18
12
205.2
mp-752508
11.189586
10.694056
-2.200092
other
Cs4W2O8
14
12
328.48
mp-1245929
0.447083
2.709419
1.795634
other
Cd1Fe2N2
5
12
63.95
mp-10408
4.808189
2.088309
-2.640405
other
K2C1N2
5
12
89.69
mp-641367
7.816808
10.273669
-3.696592
other
Cr3Au1O8
12
12
200.4
mp-1177632
13.164508
11.712445
-0.067265
other
Li3V8O11
22
12
220.13
mp-1077960
-3.458483
0.494561
2.71751
other
Er2Mo2C3
7
12
100.13
mp-1174377
4.318464
18.895351
-1.874705
other
Li7Co5O12
24
12
204.53
mp-1225586
-9.003299
-6.075673
3.629991
other
Er2Ga2Au2
6
12
120.43
mp-1048709
-3.780196
-0.63259
-4.807093
other
Ca5Ti8S16
29
12
584.72
mp-779913
11.804429
1.323563
2.661008
other
Fe6O2F10
18
12
222.6
mp-1222821
5.787289
12.727598
-1.544524
other
Li2Ni6O12
20
12
205.77
mp-1209536
8.335863
1.198071
0.772897
other
Rb3As1F6
10
12
330.78
mp-541162
8.748593
1.054778
1.734195
other
Ba4Mg6F20
30
12
396.96
mp-31761
10.373929
12.971596
1.052216
other
Nb2Fe2O8
12
12
155.78
mp-1206588
-6.194818
-1.738291
1.254957
other
Th2Co3As3
8
12
144.24
mp-778492
10.000909
9.924836
0.946736
other
Na18Ti6O21
45
12
734.89
mp-755683
7.853622
13.906269
-1.742167
other
Mn5Ni1O12
18
12
212.61
mp-1174353
4.083749
19.698658
-1.794321
other
Li8Co6O14
28
12
251.18
mp-1246519
1.404784
2.436061
1.756188
other
Mg9Mn2N8
19
12
232.33
mp-542752
-7.392803
-5.304494
3.725509
other
Ce4Co2Sn5
11
12
284.11
mp-550622
10.250517
12.257039
-3.912352
other
V2Cd1O6
9
12
122.71
mp-1217493
-7.670156
-3.480349
5.141806
other
Tb2Ni2Ge2
6
12
110.66
mp-1188985
8.743467
14.748368
-0.693086
other
Pr1Mn7O12
20
12
217.61
mp-1246926
0.127881
2.453255
2.056306
other
Mn10Ni1N8
19
12
184.66
mp-574169
-5.842314
-2.890995
-1.728466
other
Ti2Ge2Te12
16
12
500.98
mp-1305038
11.689108
12.323577
-2.711899
other
Na6V6O16
28
12
377.18
mp-1203845
-8.148519
-5.099997
4.012964
other
Ho4In20Ni11
35
12
674.25
mp-1204597
-2.63327
-2.798144
-5.456064
other
La4Tm11S22
37
12
877.66
mp-1237948
-4.567606
-3.886013
-3.883236
other
Pm2Mg2Se6
10
12
296.68
mp-1174408
4.084541
19.720009
-1.778994
other
Li8Co6O14
28
12
252.95
mp-1275601
7.168056
13.066658
-1.824734
other
Co10Cu2O16
28
12
288.4
mp-26686
9.825641
7.604199
-6.191822
other
Ni2P8O24
34
12
547.74
mp-504510
10.076878
12.302232
-3.91984
other
Mg1V2O6
9
12
117.03
mp-1223086
-2.13474
0.48307
2.388876
other
La2Y1C6
9
12
144.33
mp-1220564
-8.253208
-0.149342
4.363633
other
Nd2Co19Si3
24
12
296.88
mp-1247177
4.915399
2.088444
-3.191496
other
Mn2C3N6
11
12
147.48
mp-677244
8.179743
10.617216
1.868296
other
Tb5Ru2O12
19
12
250.56
mp-754819
6.246647
13.083209
-2.895349
other
Co6O8F4
18
12
172.69
mp-753595
12.072875
11.253454
0.323707
other
Mg3Fe2O5
10
12
95.4
mp-1215349
12.381402
8.847049
2.755393
other
Zr6Ni2O1
9
12
161.74
mp-1182317
2.465381
2.697795
-3.786975
other
Au1Br3N2
6
12
177.54
mp-1178005
-4.725642
-1.62081
-5.823143
other
Li4Cu8S6
18
12
267.87
mp-1246527
0.269009
2.622815
1.561648
other
Mn4S3N2
9
12
124.22
mp-756950
6.394249
13.389043
-2.459408
other
Cr1Co5O12
18
12
205.57
mp-753320
10.215087
12.540367
-3.922225
other
Rb1V4O10
15
12
213.88
mp-1208949
-2.69821
-2.827588
-5.455806
other
Sm4Tm11S22
37
12
853.77
mp-759993
8.729634
15.460344
-1.442124
other
Mn4O6F2
12
12
126.86
mp-753722
-4.641738
-1.174219
-5.675584
other
Li1Cu1S2
4
12
71.06
mp-694897
7.516359
10.503208
-3.36056
other
Cr6Pb1O18
25
12
305.26
mp-1402760
10.454074
9.632364
0.082313
other
Ca2Sb3O8
13
12
198.39
mp-753285
17.393456
9.607688
7.631771
other
Mg9Cu1O10
20
12
193.28
mp-647029
-5.28012
-3.402863
0.479634
other
Gd3P4Pd7
14
12
236.29
mp-505717
11.681019
13.285013
-2.911098
other
Li2V12O26
40
12
474.48
mp-1216997
-5.583308
-0.20995
-5.407342
other
V1Cr14S20
35
12
591.41
mp-1211132
7.306196
12.863659
-1.298489
other
Li5Os1O6
12
12
101.85
mp-1210235
8.514717
1.381181
0.14213
other
Na3Pd5F12
20
12
301.7
mp-1201074
-7.619321
-0.530327
5.784076
other
Sm12Al5Fe14
31
12
673.85
mp-1207132
-3.079715
-5.124878
6.583199
other
Mg2Al3Si6
11
12
193.84
mp-1174550
6.704942
19.69891
-0.351731
other
Li5Mn3O8
16
12
143.36