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 2126-2150 out of 2180
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
Volume
✕
Maximum force
✕
Username
✕
Age
✕
PBC
✕
Mass
✕
E
✕
Calculator
✕
Maximum stress
✕
Charge
✕
Si_rate
✕
2685.830
0.008
yangxb
5y
TTT
17285.869
0.290
vasp
0.001
0.000
0.364
2686.231
0.008
yangxb
5y
TTT
17285.869
0.290
vasp
0.001
0.000
0.364
1721.546
0.006
yangxb
5y
TTT
17285.869
0.237
vasp
0.000
0.000
0.286
1721.926
0.005
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1722.407
0.010
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.910
0.004
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1722.091
0.008
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1722.164
0.006
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1722.177
0.009
yangxb
5y
TTT
17285.869
0.236
vasp
0.000
0.000
0.286
1721.561
0.007
yangxb
5y
TTT
17285.869
0.236
vasp
0.000
0.000
0.286
1722.169
0.009
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.598
0.005
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.875
0.009
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.569
0.005
yangxb
5y
TTT
17285.869
0.236
vasp
0.000
0.000
0.286
1721.362
0.006
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.595
0.008
yangxb
5y
TTT
17285.869
0.236
vasp
0.000
0.000
0.286
1721.609
0.008
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.846
0.009
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.214
0.009
yangxb
5y
TTT
17285.869
0.236
vasp
0.000
0.000
0.286
1721.717
0.007
yangxb
5y
TTT
17285.869
0.237
vasp
0.001
0.000
0.286
1721.859
0.009
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.451
0.007
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.834
0.007
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1721.925
0.009
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
1722.231
0.003
yangxb
5y
TTT
17285.869
0.236
vasp
0.001
0.000
0.286
«
1
2
3
4
5
...
82
83
84
85
86
87
88
»