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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_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
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)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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100
200
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ID
✕
ads_E
✕
str_E
✕
Charge
✕
101
-2.072
-220.823
0.000
102
-1.742
-220.273
0.000
103
-3.248
-222.069
0.000
104
-3.917
-223.274
0.000
105
-3.043
-223.458
0.000
106
-3.556
-223.028
0.000
107
-2.909
-221.679
0.000
108
0.002
-218.551
0.000
109
-2.132
-221.776
0.000
110
-0.005
-218.530
0.000
111
-2.185
-221.011
0.000
112
-1.673
-220.240
0.000
113
-3.045
-221.920
0.000
114
-2.830
-222.605
0.000
115
-0.972
-222.623
0.000
116
-2.543
-222.603
0.000
117
-3.298
-222.249
0.000
118
-0.007
-218.546
0.000
119
-1.897
-220.649
0.000
120
-1.261
-219.792
0.000
121
-2.655
-221.476
0.000
122
-2.818
-222.175
0.000
123
-1.704
-222.119
0.000
124
-2.475
-221.946
0.000
125
-2.669
-221.439
0.000
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