Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1126-31 out of 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1126
Au
8
Si
4
0.001
1127
Au
8
Si
4
0.001
1128
Au
8
Si
4
0.001
1129
Au
8
Si
4
0.001
1130
Au
8
Si
4
0.001
1131
Au
8
Si
4
0.001
1132
Au
8
Si
4
0.001
1133
Au
8
Si
4
0.001
1134
Au
8
Si
4
0.001
1135
Au
8
Si
4
0.001
1136
Au
8
Si
4
0.001
1137
Au
8
Si
4
0.001
1138
Au
8
Si
4
0.001
1139
Au
8
Si
4
0.001
1140
Au
8
Si
4
0.001
1141
Au
8
Si
4
0.001
1142
Au
8
Si
4
0.001
1143
Au
8
Si
4
0.001
1144
Au
8
Si
4
0.001
1145
Au
8
Si
4
0.001
1146
Au
8
Si
4
0.001
1147
Au
8
Si
4
0.000
1148
Au
8
Si
4
0.001
1149
Au
8
Si
4
0.001
1150
Au
8
Si
4
0.001
«
1
2
...
»