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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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ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
slab_E
✕
str_E
✕
Dipole_val
✕
Volume
✕
Energy
✕
101
-218.527
-220.823
-6.067
3649.858
-220.823
102
-218.527
-220.273
-3.492
3649.858
-220.273
103
-218.527
-222.069
-1.522
3649.858
-222.069
104
-218.527
-223.274
-0.561
3649.858
-223.274
105
-218.527
-223.458
0.405
3649.858
-223.458
106
-218.527
-223.028
1.306
3649.858
-223.028
107
-218.527
-221.679
1.286
3649.858
-221.679
108
-218.527
-218.551
-0.163
3649.858
-218.551
109
-218.527
-221.776
0.312
3649.858
-221.776
110
-218.527
-218.530
-0.024
3649.858
-218.530
111
-218.527
-221.011
-5.675
3649.858
-221.011
112
-218.527
-220.240
-1.886
3649.858
-220.240
113
-218.527
-221.920
0.023
3649.858
-221.920
114
-218.527
-222.605
0.775
3649.858
-222.605
115
-218.527
-222.623
1.821
3649.858
-222.623
116
-218.527
-222.603
2.735
3649.858
-222.603
117
-218.527
-222.249
2.894
3649.858
-222.249
118
-218.527
-218.546
-0.020
3649.858
-218.546
119
-218.527
-220.649
-6.877
3649.858
-220.649
120
-218.527
-219.792
-3.881
3649.858
-219.792
121
-218.527
-221.476
-2.381
3649.858
-221.476
122
-218.527
-222.175
-1.395
3649.858
-222.175
123
-218.527
-222.119
0.382
3649.858
-222.119
124
-218.527
-221.946
2.053
3649.858
-221.946
125
-218.527
-221.439
2.575
3649.858
-221.439
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