ASE database

↓ ID ✕	Formula ✕	Energy ✕	str_E ✕
1	Au₅₄H	-168.070	-168.070
2	Au₅₄He	-165.069	-165.069
3	Au₅₄Li	-168.230	-168.230
4	Au₅₄Be	-169.147	-169.147
5	Au₅₄B	-171.055	-171.055
6	Au₅₄C	-171.207	-171.207
7	Au₅₄N	-170.577	-170.577
8	Au₅₄O	-169.926	-169.926
9	Au₅₄F	-168.695	-168.695
10	Au₅₄Ne	-165.085	-165.085
11	Au₅₄Na	-167.652	-167.652
12	Au₅₄Mg	-167.509	-167.509
13	AlAu₅₄	-169.611	-169.611
14	Au₅₄Si	-170.944	-170.944
15	Au₅₄P	-171.031	-171.031
16	Au₅₄S	-169.906	-169.906
17	Au₅₄Cl	-167.868	-167.868
18	Au₅₄Ar	-165.095	-165.095
19	Au₅₄H	-168.428	-168.428
20	Au₅₄He	-165.069	-165.069
21	Au₅₄Li	-167.904	-167.904
22	Au₅₄Be	-167.816	-167.816
23	Au₅₄B	-169.754	-169.754
24	Au₅₄C	-170.497	-170.497
25	Au₅₄N	-170.360	-170.360

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/Ang³
str_E
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³