Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 101-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
PBC
✕
Mass
✕
distance
✕
101
TTT
17285.869
2.409
102
TTT
17285.869
1.938
103
TTT
17285.869
1.701
104
TTT
17285.869
1.560
105
TTT
17285.869
1.549
106
TTT
17285.869
1.636
107
TTT
17285.869
1.936
108
TTT
17285.869
3.439
109
TTT
17285.869
1.599
110
TTT
17285.869
3.610
111
TTT
17285.869
2.237
112
TTT
17285.869
2.078
113
TTT
17285.869
1.927
114
TTT
17285.869
1.835
115
TTT
17285.869
1.836
116
TTT
17285.869
1.889
117
TTT
17285.869
2.038
118
TTT
17285.869
3.629
119
TTT
17285.869
2.544
120
TTT
17285.869
2.384
121
TTT
17285.869
2.395
122
TTT
17285.869
2.136
123
TTT
17285.869
2.139
124
TTT
17285.869
2.212
125
TTT
17285.869
2.331
«
1
»