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 126-150 out of 517
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)
Maximum force (fmax)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
126
C
60
H
36
-661.665
127
C
60
H
36
-657.044
128
C
60
H
36
-658.245
129
C
60
H
36
-662.244
130
C
60
H
36
-662.192
131
C
60
H
36
-660.639
132
C
60
H
36
-660.775
133
C
60
H
36
-659.747
134
C
60
H
36
-663.085
135
C
60
H
36
-663.539
136
C
60
H
36
-663.077
137
C
60
H
36
-660.469
138
C
60
H
36
-664.237
139
C
60
H
36
-662.488
140
C
60
H
36
-660.983
141
C
60
H
36
-662.203
142
C
60
H
36
-663.050
143
C
60
H
36
-661.680
144
C
60
H
36
-663.718
145
C
60
H
36
-661.409
146
C
60
H
36
-663.372
147
C
60
H
36
-663.502
148
C
60
H
36
-661.361
149
C
60
H
36
-663.533
150
C
60
H
36
-660.159
«
1
2
3
4
5
6
7
8
9
10
...
18
19
20
21
»