A 
Singleion anisotropy (outofplane) 
meV 
E_B 
Exciton binding energy from BSE 
eV 
E_x 
Soc. total energy, xdirection 
meV/unit cell 
E_y 
Soc. total energy, ydirection 
meV/unit cell 
E_z 
Soc. total energy, zdirection 
meV/unit cell 
J 
Nearest neighbor exchange coupling 
meV 
N_nn 
Number of nearest neighbors 

Topology 
Band topology 

age 
Time since creation 

alphax 
Static total polarizability (x) 
Å 
alphax_el 
Static interband polarizability (x) 
Å 
alphax_lat 
Static lattice polarizability (x) 
Å 
alphay 
Static total polarizability (y) 
Å 
alphay_el 
Static interband polarizability (y) 
Å 
alphay_lat 
Static lattice polarizability (y) 
Å 
alphaz 
Static total polarizability (z) 
Å 
alphaz_el 
Static interband polarizability (z) 
Å 
alphaz_lat 
Static lattice polarizability (z) 
Å 
asr_id 
Material unique ID 

c_11 
Stiffness tensor, 11component 
N/m<sup>dim1</sup> 
c_12 
Stiffness tensor, 12component 
N/m<sup>dim1</sup> 
c_13 
Stiffness tensor, 13component 
N/m<sup>dim1</sup> 
c_21 
Stiffness tensor, 21component 
N/m<sup>dim1</sup> 
c_22 
Stiffness tensor, 22component 
N/m<sup>dim1</sup> 
c_23 
Stiffness tensor, 23component 
N/m<sup>dim1</sup> 
c_31 
Stiffness tensor, 31component 
N/m<sup>dim1</sup> 
c_32 
Stiffness tensor, 32component 
N/m<sup>dim1</sup> 
c_33 
Stiffness tensor, 33component 
N/m<sup>dim1</sup> 
calculator 
ASEcalculator name 

cbm 
Conduction band minimum 
eV 
cbm_gw 
Conduction band minimum (G₀W₀) 
eV 
cbm_hse 
Conduction band minimum (HSE06) 
eV 
cell_area 
Area of unitcell 
\(Å²\) 
charge 
Net charge in unit cell 
e 
class 
Material class 

cod_id 
Related COD id 

crystal_type 
Crystal type 

dE_zx 
Magnetic anisotropy (E<sub>z</sub>  E<sub>x</sub>) 
meV/unit cell 
dE_zy 
Magnetic anisotropy (E<sub>z</sub>  E<sub>y</sub>) 
meV/unit cell 
dim_nclusters_0D 
Number of 0D clusters. 

dim_nclusters_1D 
Number of 1D clusters. 

dim_nclusters_2D 
Number of 2D clusters. 

dim_nclusters_3D 
Number of 3D clusters. 

dim_primary 
Dim. with max. scoring parameter 

dim_primary_score 
Dimensionality scoring parameter of primary dimensionality. 

dim_score_0123D 
Dimensionality score of dimtype=0123D 

dim_score_012D 
Dimensionality score of dimtype=012D 

dim_score_013D 
Dimensionality score of dimtype=013D 

dim_score_01D 
Dimensionality score of dimtype=01D 

dim_score_023D 
Dimensionality score of dimtype=023D 

dim_score_02D 
Dimensionality score of dimtype=02D 

dim_score_03D 
Dimensionality score of dimtype=03D 

dim_score_0D 
Dimensionality score of dimtype=0D 

dim_score_123D 
Dimensionality score of dimtype=123D 

dim_score_12D 
Dimensionality score of dimtype=12D 

dim_score_13D 
Dimensionality score of dimtype=13D 

dim_score_1D 
Dimensionality score of dimtype=1D 

dim_score_23D 
Dimensionality score of dimtype=23D 

dim_score_2D 
Dimensionality score of dimtype=2D 

dim_score_3D 
Dimensionality score of dimtype=3D 

dim_threshold_0D 
0D dimensionality threshold. 

dim_threshold_1D 
1D dimensionality threshold. 

dim_threshold_2D 
2D dimensionality threshold. 

dipz 
Outofplane dipole along +z axis 
e · Å/unit cell 
doi 
Monolayer reported DOI 

dos_at_ef_nosoc 
Density of states at the Fermi level w/o soc. 
states/(eV * unit cell) 
dos_at_ef_soc 
Density of states at the Fermi level 
states/(eV * unit cell) 
dynamic_stability_phonons 
Phonon dynamic stability (low/high) 

dynamic_stability_stiffness 
Stiffness dynamic stability (low/high) 

efermi 
Fermi level 
eV 
ehull 
Energy above convex hull 
eV/atom 
emass_cb_dir1 
Conduction band effective mass, direction 1 
m<sub>e</sub> 
emass_cb_dir2 
Conduction band effective mass, direction 2 
m<sub>e</sub> 
emass_vb_dir1 
Valence band effective mass, direction 1 
m<sub>e</sub> 
emass_vb_dir2 
Valence band effective mass, direction 2 
m<sub>e</sub> 
energy 
Total energy 
eV 
etot 
Total energy 
eV 
evac 
Vacuum level 
eV 
evacdiff 
Vacuum level difference 
eV 
first_class_material 
A first class material marks a physical material. 
bool 
fmax 
Maximum force 
eV/Ang 
folder 
Path to collection folder 

formula 
Chemical formula 

gap 
Band gap 
eV 
gap_dir 
Direct band gap 
eV 
gap_dir_gw 
Direct band gap (G₀W₀) 
eV 
gap_dir_hse 
Direct band gap (HSE06) 
eV 
gap_dir_nosoc 
Direct gap w/o soc. 
eV 
gap_gw 
Band gap (G₀W₀) 
eV 
gap_hse 
Band gap (HSE06) 
eV 
gap_nosoc 
Gap w/o soc. 
eV 
has_inversion_symmetry 
Material has inversion symmetry 

hform 
Heat of formation 
eV/atom 
icsd_id 
Related ICSD id 

id 
Uniqe row ID 

is_magnetic 
Material is magnetic 

lam 
Anisotropic exchange (outofplane) 
meV 
magmom 
Magnetic moment 
μ_B 
magstate 
Magnetic state 

mass 
Sum of atomic masses in unit cell 
au 
minhessianeig 
Minimum eigenvalue of Hessian 
eV/Å² 
natoms 
Number of atoms 

nspins 
Number of spins in calculator 

pbc 
Periodic boundary conditions 

plasmafrequency_x 
2D plasma frequency (x) 
eV/Å<sup>0.5</sup> 
plasmafrequency_y 
2D plasma frequency (y) 
eV/Å<sup>0.5</sup> 
pointgroup 
Point group 

smax 
Maximum stress on unit cell 
eV/Ang<sup>3</sup> 
spacegroup 
Space group 

speed_of_sound_x 
Speed of sound (x) 
m/s 
speed_of_sound_y 
Speed of sound (y) 
m/s 
spgnum 
Space group number 

spin 
Maximum value of S_z at magnetic sites 

spin_axis 
Magnetic easy axis 

stoichiometry 
Stoichiometry 

thermodynamic_stability_level 
Thermodynamic stability level 

uid 
Unique identifier 

unique_id 
Random (unique) ID 

user 
Username 

vbm 
Valence band maximum 
eV 
vbm_gw 
Valence band maximum (G₀W₀) 
eV 
vbm_hse 
Valence band maximum (HSE06) 
eV 
volume 
Volume of unit cell 
Ang<sup>3</sup> 
workfunction 
Work function (avg. if finite dipole) 
eV 