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 101-31 out of 31
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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
Username
✕
101
C
60
H
24
0.935
mse-gucc
102
C
60
H
24
0.110
mse-gucc
103
C
60
H
24
1.391
mse-gucc
104
C
60
H
24
1.001
mse-gucc
105
C
60
H
24
0.445
mse-gucc
106
C
60
H
24
1.057
mse-gucc
107
C
60
H
24
0.718
mse-gucc
108
C
60
H
24
0.817
mse-gucc
109
C
60
H
24
0.752
mse-gucc
110
C
60
H
24
0.364
mse-gucc
111
C
60
H
24
13.598
mse-gucc
112
C
60
H
24
0.008
mse-gucc
113
C
60
H
24
0.010
mse-gucc
114
C
60
H
24
0.009
mse-gucc
115
C
60
H
24
0.722
mse-gucc
116
C
60
H
24
0.356
mse-gucc
117
C
60
H
24
0.324
mse-gucc
118
C
60
H
24
0.166
mse-gucc
119
C
60
H
24
0.348
mse-gucc
120
C
60
H
24
0.164
mse-gucc
121
C
60
H
24
0.268
mse-gucc
122
C
60
H
24
0.010
mse-gucc
123
C
60
H
24
0.338
mse-gucc
124
C
60
H
24
0.063
mse-gucc
125
C
60
H
24
0.008
mse-gucc
«
1
2
»