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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 76-100 out of 594
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Dipole_val
ads_E
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)
Rows: 25
10
25
50
100
200
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ID
✕
Charge
✕
Volume
✕
str_E
✕
Username
✕
76
0.000
3649.858
-222.247
hecc
77
0.000
3649.858
-224.037
hecc
78
0.000
3649.858
-224.356
hecc
79
0.000
3649.858
-223.581
hecc
80
0.000
3649.858
-223.229
hecc
81
0.000
3649.858
-222.245
hecc
82
0.000
3649.858
-218.548
hecc
83
0.000
3649.858
-221.145
hecc
84
0.000
3649.858
-220.986
hecc
85
0.000
3649.858
-222.861
hecc
86
0.000
3649.858
-223.955
hecc
87
0.000
3649.858
-223.843
hecc
88
0.000
3649.858
-222.907
hecc
89
0.000
3649.858
-221.497
hecc
90
0.000
3649.858
-218.552
hecc
91
0.000
3649.858
-221.957
hecc
92
0.000
3649.858
-218.530
hecc
93
0.000
3649.858
-221.258
hecc
94
0.000
3649.858
-221.998
hecc
95
0.000
3649.858
-224.163
hecc
96
0.000
3649.858
-224.114
hecc
97
0.000
3649.858
-223.914
hecc
98
0.000
3649.858
-223.523
hecc
99
0.000
3649.858
-222.402
hecc
100
0.000
3649.858
-218.547
hecc
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