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
perms_number
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 594
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)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum force
✕
101
8000.000
0.009
102
8000.000
0.217
103
8000.000
0.010
104
8000.000
0.009
105
8000.000
0.010
106
8000.000
0.010
107
8000.000
0.009
108
8000.000
0.009
109
8000.000
0.009
110
8000.000
0.009
111
8000.000
0.010
112
8000.000
0.010
113
8000.000
0.010
114
8000.000
0.007
115
8000.000
0.010
116
8000.000
0.009
117
8000.000
0.008
118
8000.000
0.009
119
8000.000
0.009
120
8000.000
0.009
121
8000.000
0.010
122
8000.000
0.008
123
8000.000
0.009
124
8000.000
0.007
125
8000.000
0.009
«
1
2
3
4
5
6
7
8
9
...
21
22
23
24
»