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 1251-1275 out of 2180
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
1251
Au
8
Si
4
1252
Au
8
Si
4
1253
Au
8
Si
4
1254
Au
8
Si
4
1255
Au
8
Si
4
1256
Au
8
Si
4
1257
Au
8
Si
4
1258
Au
8
Si
4
1259
Au
8
Si
4
1260
Au
8
Si
4
1261
Au
8
Si
4
1262
Au
8
Si
4
1263
Au
8
Si
4
1264
Au
8
Si
4
1265
Au
8
Si
4
1266
Au
8
Si
4
1267
Au
8
Si
4
1268
Au
8
Si
4
1269
Au
8
Si
4
1270
Au
8
Si
4
1271
Au
8
Si
4
1272
Au
8
Si
4
1273
Au
8
Si
4
1274
Au
8
Si
4
1275
Au
8
Si
4
«
1
2
3
4
5
...
47
48
49
50
51
52
53
54
55
...
85
86
87
88
»