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 76-100 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
PBC
✕
ads_E
✕
Maximum stress
✕
atom_E
✕
76
TTT
-3.681
0.013
-0.039
77
TTT
-5.161
0.012
-0.349
78
TTT
-4.581
0.011
-1.248
79
TTT
-1.930
0.012
-3.124
80
TTT
-3.169
0.012
-1.533
81
TTT
-3.294
0.012
-0.424
82
TTT
-0.009
0.013
-0.013
83
TTT
-2.393
0.014
-0.225
84
TTT
-2.455
0.013
-0.004
85
TTT
-4.039
0.013
-0.295
86
TTT
-4.598
0.013
-0.830
87
TTT
-3.429
0.012
-1.888
88
TTT
-3.435
0.012
-0.945
89
TTT
-2.727
0.012
-0.243
90
TTT
0.000
0.013
-0.025
91
TTT
-2.313
0.013
-1.117
92
TTT
-0.005
0.013
0.002
93
TTT
-2.432
0.014
-0.299
94
TTT
-3.432
0.012
-0.039
95
TTT
-5.288
0.012
-0.349
96
TTT
-4.339
0.012
-1.248
97
TTT
-2.263
0.013
-3.124
98
TTT
-3.463
0.013
-1.533
99
TTT
-3.451
0.013
-0.424
100
TTT
-0.007
0.013
-0.013
«
1
2
3
4
5
6
7
8
...
21
22
23
24
»