All-date.zip
All-date
date
Ag-C4N3
CONTCAR
3.5 kB
Au-C4N3
CONTCAR
3.5 kB
C4N3
BAND.dat
87.1 kB
C4N3-vasprun.xml
29.7 MB
CONTCAR
3.4 kB
Cd-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Co-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Cr-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Cu-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Fe-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Hf-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Ir-C4N3
CONTCAR
3.5 kB
Mn-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Mo-C4N3
CONTCAR
3.5 kB
Nb-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Ni-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Os-C4N3
CONTCAR
3.5 kB
Pd-C4N3
CONTCAR
3.5 kB
Pt-C4N3
CONTCAR
3.5 kB
Re-C4N3
CONTCAR
3.5 kB
Rh-C4N3
CONTCAR
3.5 kB
Ru-C4N3
CONTCAR
3.5 kB
Sc-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Ta-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Tc-C4N3
CONTCAR
3.5 kB
Ti-C4N3
BAND-HSE.dat
52.3 kB
BAND-PBE.dat
231.5 kB
CO2RR
CH
CONTCAR
3.7 kB
CH2
CONTCAR
3.8 kB
CH2CH
FS
CONTCAR
4.5 kB
IS
CONTCAR
4.5 kB
TS
CONTCAR
4.5 kB
CH2CH2
FS
CONTCAR
4.6 kB
IS
CONTCAR
4.6 kB
TS
CONTCAR
4.2 kB
CH2O
FS
CONTCAR
4.4 kB
IS
CONTCAR
4.0 kB
TS
CONTCAR
4.0 kB
CH2OH
FS
CONTCAR
4.5 kB
IS
CONTCAR
4.5 kB
TS
CONTCAR
4.5 kB
CH3
CONTCAR
4.4 kB
CH3-H2O
FS
CONTCAR
4.3 kB
IS
CONTCAR
4.3 kB
TS
CONTCAR
4.3 kB
CH3CH2
FS
CONTCAR
4.3 kB
IS
CONTCAR
4.3 kB
TS
CONTCAR
4.3 kB
CH3CH3
FS
CONTCAR
4.9 kB
IS
CONTCAR
4.9 kB
TS
CONTCAR
4.9 kB
CH3OH
FS
CONTCAR
4.6 kB
IS
CONTCAR
4.2 kB
TS
CONTCAR
4.2 kB
CH4
FS
CONTCAR
4.1 kB
IS
CONTCAR
4.1 kB
TS
CONTCAR
4.1 kB
CHC
CONTCAR
4.2 kB
CHC-H2O
FS
CONTCAR
4.6 kB
IS
CONTCAR
4.6 kB
TS
CONTCAR
4.6 kB
CHCH
FS
CONTCAR
4.4 kB
IS
CONTCAR
4.4 kB
TS
CONTCAR
4.4 kB
CHCOH
CONTCAR
4.5 kB
CHCOH-H2O
FS
CONTCAR
4.9 kB
IS
CONTCAR
4.9 kB
TS
CONTCAR
4.9 kB
CHO
FS
CONTCAR
4.3 kB
IS
CONTCAR
3.9 kB
TS
CONTCAR
3.9 kB
CHOH
FS
CONTCAR
4.0 kB
IS
CONTCAR
4.0 kB
TS
CONTCAR
4.0 kB
CO
CONTCAR
4.1 kB
CO-H2O
FS
CONTCAR
4.5 kB
IS
CONTCAR
4.5 kB
TS
CONTCAR
4.5 kB
CO-OH
FS
CONTCAR
4.4 kB
IS
CONTCAR
4.4 kB
TS
CONTCAR
4.4 kB
CO2
CONTCAR
4.2 kB
vasprun-Ti-C4N3-CO2.xml
36.5 MB
COH
FS
CONTCAR
3.9 kB
IS
CONTCAR
3.9 kB
TS
CONTCAR
3.9 kB
COOCOOH
FS
CONTCAR
4.7 kB
IS
CONTCAR
4.7 kB
TS
CONTCAR
4.7 kB
HOCCOHOH
FS
CONTCAR
5.2 kB
IS
CONTCAR
5.2 kB
TS
CONTCAR
5.2 kB
HOHOCCOH
FS
CONTCAR
4.7 kB
IS
CONTCAR
4.7 kB
TS
CONTCAR
4.7 kB
HOHOCCOHO
FS
CONTCAR
5.0 kB
IS
CONTCAR
5.0 kB
TS
CONTCAR
5.0 kB
HOHOCCOHOH
FS
CONTCAR
5.1 kB
IS
CONTCAR
5.1 kB
TS
CONTCAR
5.1 kB
HOHOCCOOH
FS
CONTCAR
5.0 kB
IS
CONTCAR
5.0 kB
TS
CONTCAR
5.0 kB
OHCCOH
CONTCAR
4.6 kB
OHCCOH-H2O
FS
CONTCAR
5.0 kB
IS
CONTCAR
5.0 kB
TS
CONTCAR
5.0 kB
OHCCOHOH
FS
CONTCAR
4.9 kB
IS
CONTCAR
4.9 kB
TS
CONTCAR
4.9 kB
OOCCOO
ICOHPLIST.lobster
610 Bytes
Ti-C4N3-2CO2-vasprun.xml
42.7 MB
cis-HOOCCOOH
FS
CONTCAR
4.9 kB
IS
CONTCAR
4.9 kB
TS
CONTCAR
4.9 kB
trans-HOOCCOOH
FS
CONTCAR
4.9 kB
IS
CONTCAR
4.9 kB
TS
CONTCAR
4.9 kB
CONTCAR
3.5 kB
CONTCAR-T
273.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
283.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
293.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
303.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
313.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
323.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
333.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
343.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
353.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
363.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
373.15
BAND.dat
70.8 kB
CONTCAR
2.1 kB
TDDFT
Hirshfeld-light-0k.dat
20.9 MB
Hirshfeld-light-300k.dat
20.9 MB
Hirshfeld-no-light-300k.dat
13.9 MB
Ti-C4N3vasprun.xml
31.9 MB
V-C4N3
BAND.dat
93.8 kB
CONTCAR
3.5 kB
W-C4N3
CONTCAR
3.5 kB
Y-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Zn-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
Zr-C4N3
BAND.dat
70.8 kB
CONTCAR
3.5 kB
date.xlsx
9.2 MB