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ASE database
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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 101-125 out of 594
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Dipole_val
ads_E
ads_site
ASE-calculator name (calculator)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Charge
✕
atom_E
✕
str_E
✕
Maximum stress
✕
Energy
✕
distance
✕
Age
✕
0.000
-0.225
-220.823
0.014
-220.823
2.409
15M
0.000
-0.004
-220.273
0.012
-220.273
1.938
15M
0.000
-0.295
-222.069
0.012
-222.069
1.701
15M
0.000
-0.830
-223.274
0.012
-223.274
1.560
15M
0.000
-1.888
-223.458
0.013
-223.458
1.549
15M
0.000
-0.945
-223.028
0.013
-223.028
1.636
15M
0.000
-0.243
-221.679
0.013
-221.679
1.936
15M
0.000
-0.025
-218.551
0.013
-218.551
3.439
15M
0.000
-1.117
-221.776
0.013
-221.776
1.599
15M
0.000
0.002
-218.530
0.013
-218.530
3.610
15M
0.000
-0.299
-221.011
0.014
-221.011
2.237
15M
0.000
-0.039
-220.240
0.013
-220.240
2.078
15M
0.000
-0.349
-221.920
0.013
-221.920
1.927
15M
0.000
-1.248
-222.605
0.013
-222.605
1.835
15M
0.000
-3.124
-222.623
0.013
-222.623
1.836
15M
0.000
-1.533
-222.603
0.013
-222.603
1.889
15M
0.000
-0.424
-222.249
0.012
-222.249
2.038
15M
0.000
-0.013
-218.546
0.013
-218.546
3.629
15M
0.000
-0.225
-220.649
0.014
-220.649
2.544
15M
0.000
-0.004
-219.792
0.013
-219.792
2.384
15M
0.000
-0.295
-221.476
0.014
-221.476
2.395
15M
0.000
-0.830
-222.175
0.014
-222.175
2.136
15M
0.000
-1.888
-222.119
0.013
-222.119
2.139
15M
0.000
-0.945
-221.946
0.013
-221.946
2.212
15M
0.000
-0.243
-221.439
0.012
-221.439
2.331
15M
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