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 2126-594 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
Number of atoms
✕
E
✕
Age
✕
PBC
✕
Volume
✕
Maximum stress
✕
2126
Au
14
Si
8
0.008
22
0.290
43M
TTT
2685.830
0.001
2127
Au
14
Si
8
0.008
22
0.290
43M
TTT
2686.231
0.001
2128
Au
10
Si
4
0.006
14
0.237
43M
TTT
1721.546
0.000
2129
Au
10
Si
4
0.005
14
0.236
43M
TTT
1721.926
0.001
2130
Au
10
Si
4
0.010
14
0.236
43M
TTT
1722.407
0.001
2131
Au
10
Si
4
0.004
14
0.236
43M
TTT
1721.910
0.001
2132
Au
10
Si
4
0.008
14
0.236
43M
TTT
1722.091
0.001
2133
Au
10
Si
4
0.006
14
0.236
43M
TTT
1722.164
0.001
2134
Au
10
Si
4
0.009
14
0.236
43M
TTT
1722.177
0.000
2135
Au
10
Si
4
0.007
14
0.236
43M
TTT
1721.561
0.000
2136
Au
10
Si
4
0.009
14
0.236
43M
TTT
1722.169
0.001
2137
Au
10
Si
4
0.005
14
0.236
43M
TTT
1721.598
0.001
2138
Au
10
Si
4
0.009
14
0.236
43M
TTT
1721.875
0.001
2139
Au
10
Si
4
0.005
14
0.236
43M
TTT
1721.569
0.000
2140
Au
10
Si
4
0.006
14
0.236
43M
TTT
1721.362
0.001
2141
Au
10
Si
4
0.008
14
0.236
43M
TTT
1721.595
0.000
2142
Au
10
Si
4
0.008
14
0.236
43M
TTT
1721.609
0.001
2143
Au
10
Si
4
0.009
14
0.236
43M
TTT
1721.846
0.001
2144
Au
10
Si
4
0.009
14
0.236
43M
TTT
1721.214
0.000
2145
Au
10
Si
4
0.007
14
0.237
43M
TTT
1721.717
0.001
2146
Au
10
Si
4
0.009
14
0.236
43M
TTT
1721.859
0.001
2147
Au
10
Si
4
0.007
14
0.236
43M
TTT
1721.451
0.001
2148
Au
10
Si
4
0.007
14
0.236
43M
TTT
1721.834
0.001
2149
Au
10
Si
4
0.009
14
0.236
43M
TTT
1721.925
0.001
2150
Au
10
Si
4
0.003
14
0.236
43M
TTT
1722.231
0.001
«
1
2
3
4
5
...
»