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)
Maximum force (fmax)
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)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
Volume
✕
101
C
60
H
24
-617.594
5717.472
102
C
60
H
24
-620.184
7459.339
103
C
60
H
24
-620.395
5119.733
104
C
60
H
24
-621.436
4886.669
105
C
60
H
24
-620.141
3955.772
106
C
60
H
24
-619.459
4104.944
107
C
60
H
24
-620.162
5504.026
108
C
60
H
24
-619.929
5029.093
109
C
60
H
24
-618.910
5308.214
110
C
60
H
24
-623.037
3636.677
111
C
60
H
24
-533.595
896.416
112
C
60
H
24
-621.943
8000.000
113
C
60
H
24
-623.638
8000.000
114
C
60
H
24
-622.597
8000.000
115
C
60
H
24
-621.097
3713.968
116
C
60
H
24
-623.414
6647.556
117
C
60
H
24
-614.824
7381.713
118
C
60
H
24
-616.410
7334.383
119
C
60
H
24
-616.110
6676.130
120
C
60
H
24
-615.559
7768.387
121
C
60
H
24
-616.335
7308.251
122
C
60
H
24
-620.341
8000.000
123
C
60
H
24
-618.772
4174.505
124
C
60
H
24
-615.353
7708.421
125
C
60
H
24
-618.136
8000.000
«
1
2
»