| absorption_edge |
Absorption edge measured |
| ac_dc_mode |
AC or DC measurement mode |
| acceleration_voltage |
Acceleration voltage |
| acceptance_criteria |
Acceptance criteria for Monte Carlo moves |
| acquisition_mode |
Data acquisition mode |
| activation_energy |
Activation energy for each step |
| active_site |
Active site of the catalyst |
| adsorbate_gas |
Adsorbate gas used |
| adsorption_gas |
Adsorption gas used |
| aging_temperature |
Temperature during aging |
| aging_time |
Duration of aging process |
| atmosphere |
Atmospheric conditions |
| background_correction |
Background correction method |
| background_correction_method |
Background correction method used |
| ball_material |
Material of milling balls |
| ball_size |
Size of milling balls |
| ball_to_powder_ratio |
Ratio of ball to powder |
| band_path |
Band path used |
| beamline_source |
Beamline source identification |
| bed_expansion_height |
Bed expansion height |
| bubble_size_distribution |
|
| bulk_modulus |
Bulk modulus |
| calcination_dwelling_time |
Dwelling time at calcination temperature |
| calcination_final_temperature |
Final temperature for calcination |
| calcination_gas_flow_rate |
Gas flow rate during calcination |
| calcination_gaseous_environment |
Gaseous environment during calcination |
| calcination_heating_rate |
Heating rate during calcination |
| calcination_initial_temperature |
Initial temperature for calcination |
| calculated_property |
Property calculated from simulation |
| calibration_method |
Calibration method used |
| calibration_standard |
Calibration standard used |
| capillary_pressure |
Capillary pressure |
| capillary_temperature |
Capillary temperature |
| carrier_gas |
Carrier gas used |
| carrier_gas_purity |
Purity of carrier gas |
| catalysis_research_field |
Field of catalysis research |
| catalyst_measured_properties |
Measured properties of the catalyst (e |
| catalyst_quantity |
Quantity of catalyst used |
| catalyst_type |
Type of catalyst |
| characterization_technique |
Technique used for characterization |
| charge_compensation |
Charge compensation method |
| charge_defect_segregation |
Charge or defect segregation data |
| coercive_field |
Coercive field |
| column_type |
Type of chromatography column |
| combustion_temperature |
Combustion temperature |
| competing_phases |
Competing phase list |
| concentration |
Concentration of sample |
| convergence_criteria |
Convergence criteria (e |
| cooling_rate |
Rate of cooling |
| counter_electrode |
Counter electrode used |
| counting_time |
Counting time for detection |
| crystal_structure |
Crystal structure (space group, lattice parameters) |
| crystal_symmetry |
Crystal symmetry |
| crystallisation_duration |
Duration of crystallisation |
| crystallisation_solvents |
Solvents used for crystallisation |
| degassing_temperature |
Degassing temperature |
| deposition_temperature |
Temperature during deposition |
| deposition_time |
Time for deposition |
| detection_limit |
Detection limit |
| detector_type |
Type of detector used |
| dft_u_parameters |
DFT+U parameters used |
| diluting_reference |
Diluting reference material |
| direct_indirect |
Direct or indirect band gap |
| dispersant |
Dispersant used |
| drying |
Drying process description |
| drying_atmosphere |
Atmosphere during drying |
| drying_device |
Device used for drying |
| drying_temperature |
Temperature during drying |
| drying_time |
Duration of drying process |
| elastic_tensor |
Elastic tensor components |
| electrode_configuration |
Configuration of electrodes |
| electrolyte_composition |
Composition of electrolyte |
| electrolyte_concentration |
Concentration of electrolyte |
| element_analyzed |
Chemical element being analyzed |
| elements_analyzed |
Elements analyzed |
| eluent |
Eluent used |
| emission_range |
Emission range measured |
| emission_wavelength |
Emission wavelength |
| energy_above_hull |
Energy above convex hull |
| energy_cutoff |
Energy cutoff for plane wave basis |
| energy_resolution |
Energy resolution of the measurement |
| ensemble_type |
Ensemble type (e |
| equilibration_steps |
Number of equilibration steps |
| equipment |
Equipment used |
| exchange_correlation_functional |
Exchange-correlation functional used (e |
| excitation_laser_power |
Excitation laser power |
| excitation_laser_wavelength |
Excitation laser wavelength |
| excitation_wavelength |
Excitation wavelength |
| excitonic_correction |
Excitonic correction applied |
| experiment_duration |
Duration of the experiment |
| experiment_pressure |
Pressure during experiment |
| experimental_reference |
Experimental reference value |
| exposure_time |
Time of exposure |
| external_standard |
External standard used for calibration |
| feed_composition_range |
Range of feed composition |
| fermi_energy |
Fermi energy |
| field_emitter |
Field emitter type |
| filling_volume |
Filling volume of vessel |
| filter_or_grating |
Filter or grating used |
| filter_type |
Type of filter used |
| filtration |
Filtration method used |
| filtration_device |
Device used for filtration |
| final_temperature |
Final temperature |
| fit_method |
Fit method (e |
| fit_residuals |
Residuals of fit |
| flame_ring |
Flame ring configuration |
| flame_type |
Type of flame used |
| flow_rate |
Flow rate |
| force_constant_method |
Force constant calculation method |
| force_field |
Force field used |
| formation_energy |
Formation energy per atom |
| frequency |
Frequency of measurement |
| fuel |
Fuel used in combustion |
| fuel_dispersant_ratio |
Ratio of fuel to dispersant |
| fuel_to_oxidizer_ratio |
Ratio of fuel to oxidizer |
| gas_distributor_type |
Type of gas distributor |
| gb_excess_volume |
GB excess volume |
| gb_structural_units |
GB structural units description |
| gradient_program |
Gradient program for elution |
| grain_boundary_energy |
Grain boundary energy |
| grain_boundary_plane |
Grain boundary plane |
| gun_type |
Type of electron gun |
| gw_hybrid_correction |
GW or hybrid correction used |
| heating_procedure |
Heating procedure used |
| heating_ramp |
Heating ramp rate |
| heating_rate |
Heating rate |
| hydrolysis_ratio |
Ratio for hydrolysis |
| identifier |
Unique identifier for the entity |
| image_resolution |
Image resolution |
| imaginary_modes |
Imaginary modes present |
| impregnation_duration |
Duration of impregnation process |
| impregnation_temperature |
Temperature during impregnation |
| impregnation_type |
Type of impregnation method |
| initial_temperature |
Initial temperature |
| injection_volume |
Injection volume |
| inlet_system |
Inlet system configuration |
| inlet_temperature |
Inlet temperature |
| integration_time |
Integration time |
| interaction_potential |
Interaction potential used |
| internal_standard |
Internal standard used for calibration |
| ionic_electronic_contributions |
Ionic and electronic contributions |
| ionic_strength |
Ionic strength of solution |
| ionization_mode |
Ionization mode used |
| irradiation_frequency |
Irradiation frequency |
| k_point_mesh |
k-point mesh for sampling |
| kq_point_mesh |
k/q-point mesh for phonons |
| lattice_size_type |
Lattice size and type |
| lense_mode |
Lens mode setting |
| lifetime_fitting_model |
Lifetime fitting model used |
| light_wavelength |
Light wavelength used |
| magnification_setting |
Magnification setting |
| material_composition |
Material composition |
| material_sample |
Material sample |
| matrix_effect_correction |
Matrix effect correction method |
| maximum_2theta |
Maximum 2-theta angle |
| maximum_energy |
Maximum energy value |
| maximum_oven_temperature |
Maximum oven temperature |
| maximum_potential |
Maximum potential |
| maximum_temperature |
Maximum temperature |
| maximum_wavelength |
Maximum wavelength |
| maximum_wavenumber |
Maximum wavenumber |
| measurement_duration |
Duration of measurement |
| measurement_temperature |
Measurement temperature |
| microwave_frequency |
Frequency of microwave |
| miller_indices |
Miller indices of surface |
| milling_duration |
Duration of milling |
| milling_speed |
Speed of milling |
| minimum_2theta |
Minimum 2-theta angle |
| minimum_energy |
Minimum energy value |
| minimum_oven_temperature |
Minimum oven temperature |
| minimum_potential |
Minimum potential |
| minimum_temperature |
Minimum temperature |
| minimum_wavelength |
Minimum wavelength |
| minimum_wavenumber |
Minimum wavenumber |
| misorientation_angle |
Misorientation angle |
| mixing_device |
Device used for mixing |
| mixing_rate |
Rate of mixing |
| mixing_temperature |
Temperature during mixing |
| mixing_time |
Duration of mixing |
| monochromator |
Monochromator type used |
| mz_maximum |
Maximum m/z value |
| mz_minimum |
Minimum m/z value |
| nmr_pulse_sequence |
NMR pulse sequence used |
| nmr_sample_tube |
NMR sample tube type |
| noise_of_measurement |
Noise level of the measurement |
| nominal_composition |
Nominal composition of the catalyst |
| nucleus |
Nucleus being observed |
| number_of_atoms |
Number of atoms in simulation |
| number_of_cycles |
Number of cycles in the process |
| number_of_scans |
Number of scans performed |
| number_of_shots |
Number of shots for measurement |
| number_of_steps |
Number of Monte Carlo steps |
| operation_mode |
Operation mode of the instrument |
| operation_parameters |
Operation parameters for the reaction |
| optical_filter |
Optical filter used |
| order_of_addition |
Order in which components are added |
| oxidizer |
Oxidizer used |
| oxidizing_gas_composition |
Composition of oxidizing gas |
| pass_energy |
Pass energy setting |
| path_length |
Path length of cell |
| ph_range |
pH range considered |
| phase_diagram_type |
Phase diagram type (e |
| piezoelectric_tensor |
Piezoelectric tensor components |
| plasma_type |
Type of plasma used |
| poisson_ratio |
Poisson's ratio |
| polarization_direction |
Polarization direction |
| pore_size_distribution_method |
Method for pore size distribution analysis |
| post_treatment |
Post-treatment process |
| potential_range |
Potential range considered |
| power |
Power setting |
| power_input |
Power input for the process |
| precipitating_agent |
Agent used for precipitation |
| precipitating_concentration |
Concentration of precipitating agent |
| precipitation_agent |
Agent used for precipitation |
| precursor |
Precursor material used in synthesis |
| precursor_quantity |
Quantity of precursor used |
| preparation_method |
Method used for catalyst preparation |
| pressure |
Pressure in simulation |
| pressure_derivative |
Pressure derivative of bulk modulus |
| primary_energy |
Primary energy of electron beam |
| product_identification_method |
Method used for product identification |
| pulse_time |
Pulse time for deposition |
| purging_duration |
Duration of purging |
| purification |
Purification method used |
| purification_solvent |
Solvent used for purification |
| rate_constants |
Rate constants or Arrhenius parameters |
| ratio_reference_sample |
Ratio of reference to sample |
| reactant |
Reactant used in the reaction |
| reaction_type |
Type of reaction |
| reaction_vessel |
Vessel used for reaction |
| reactor_design_type |
Type of reactor design |
| reactor_temperature_range |
Temperature range in reactor |
| reducing_gas_composition |
Composition of reducing gas |
| reference_electrode |
Reference electrode used |
| reference_energies |
Reference elemental energies |
| reference_structure |
Reference paraelectric structure |
| refractive_index |
Refractive index |
| resolution |
Spectral resolution |
| sample_description |
Description of the sample |
| sample_geometry |
Geometry of the sample |
| sample_holder |
Holder for sample |
| sample_mass |
Mass of sample |
| sample_preparation |
Preparation of sample |
| sample_pretreatment |
Pre-treatment of sample |
| sample_spinning_speed |
Sample spinning speed |
| sample_state |
State of the sample |
| sampling_interval |
Sampling interval for data collection |
| scan_rate |
Scan rate for voltammetry |
| scattering_angle |
Scattering angle |
| set_temperature |
Set temperature for the process |
| shear_modulus |
Shear modulus |
| simulation_cell_size |
Simulation cell size |
| simulation_method |
Simulation method used |
| simulation_time |
Total simulation time |
| simulation_timestep |
Time step for simulation |
| size_and_material |
Size and material of components |
| slab_thickness |
Slab thickness |
| slit_width |
Slit width setting |
| smearing_broadening |
Smearing or broadening parameter |
| smearing_method |
Smearing method and width |
| smearing_parameter |
Smearing/broadening parameter |
| software_package |
Software or package used for simulation |
| solvation_model |
Solvation model used |
| solvent |
Solvent used |
| solvent_composition |
Solvent composition |
| solvent_delay |
Solvent delay time |
| solvent_quantity |
Quantity of solvent |
| solver_type |
Type of solver used |
| sonication_duration |
Duration of sonication |
| sonication_power |
Power of sonication |
| spin_polarization |
Spin polarization setting |
| spin_polarized |
Spin-polarized calculation |
| split_ratio |
Split ratio for injection |
| spontaneous_polarization |
Spontaneous polarization magnitude |
| spot_size |
Spot size for analysis |
| spray_voltage |
Spray voltage for ionization |
| step_size |
Step size for measurements |
| step_size_potential |
Step size for potential |
| stirrer_type |
Type of stirrer used |
| stirring_duration |
Duration of stirring |
| stirring_speed |
Speed of stirring |
| storage_conditions |
Conditions for storage |
| strain_applied |
Strain applied |
| structure_model |
Structure or model used |
| substrate |
Substrate material |
| support |
Support material |
| support_preparation |
Preparation of support material |
| surface_coverage |
Surface coverage of species |
| surface_energy |
Surface energy |
| surface_termination_method |
Surface termination method |
| surfactant_template |
Surfactant template used |
| switching_barrier |
Switching barrier |
| synthesis_duration |
Duration of synthesis |
| synthesis_ph |
pH during synthesis |
| synthesis_pressure |
Pressure during synthesis |
| synthesis_temperature |
Temperature during synthesis |
| temperature |
Temperature |
| temperature_dependence |
Temperature dependence |
| temperature_ramp |
Temperature ramp rate |
| total_acquisition_time |
Total acquisition time |
| total_energy_per_atom |
Total energy per atom |
| trace_ion_detection |
Trace ion detection setting |
| vacuum_spacing |
Vacuum spacing |
| vessel_type |
Type of vessel used |
| vessel_volume |
Volume of vessel |
| working_electrode |
Working electrode used |
| xray_source |
X-ray source used |
| young_modulus |
Young's modulus |