Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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
perms_num
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 101-125 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum stress
✕
101
5059.284
0.001
102
7797.880
0.000
103
3911.993
0.001
104
3861.119
0.001
105
8000.000
0.000
106
5039.682
0.001
107
6768.998
0.000
108
4979.050
0.002
109
8000.000
0.000
110
8000.000
0.000
111
6471.926
0.000
112
3565.022
0.000
113
6767.178
0.000
114
8000.000
0.000
115
8000.000
0.000
116
6841.962
0.000
117
5693.452
0.001
118
8000.000
0.000
119
3772.347
0.006
120
1975.953
0.062
121
8000.000
0.000
122
5877.420
0.000
123
1724.406
0.094
124
3308.768
0.000
125
8000.000
0.000
«
1
2
3
4
5
6
7
8
9
...
14
15
16
17
»