diff --git a/src/pymatlib/data/constants.py b/src/pymatlib/data/constants.py index c819919155129ba629a05c01d386f326eda2f023..897e370c5ceec4918a00120b396413f87f22d053 100644 --- a/src/pymatlib/data/constants.py +++ b/src/pymatlib/data/constants.py @@ -9,12 +9,12 @@ class Constants: Attributes: temperature_room (float): Room temperature in Kelvin. N_a (float): Avogadro's number, the number of constituent particles (usually atoms or molecules) in one mole of a given substance. - u (float): Atomic mass unit in kilograms. + amu (float): Atomic mass unit in kilograms. e (float): Elementary charge, the electric charge carried by a single proton or the magnitude of the electric charge carried by a single electron. speed_of_light (float): Speed of light in vacuum in meters per second. """ temperature_room: float = 298.15 # Room temperature in Kelvin N_a: float = 6.022141e23 # Avogadro's number, /mol - u: float = 1.660538e-27 # Atomic mass unit, kg + amu: float = 1.660538e-27 # Atomic mass unit, kg e: float = 1.60217657e-19 # Elementary charge, C speed_of_light: float = 0.299792458e9 # Speed of light, m/s diff --git a/src/pymatlib/data/element_data.py b/src/pymatlib/data/element_data.py index 75f035ba733e314e00a210449e8df620dd886635..18ce7e454a625618fe6cc733b146266ebc14c9eb 100644 --- a/src/pymatlib/data/element_data.py +++ b/src/pymatlib/data/element_data.py @@ -8,7 +8,7 @@ from pymatlib.core.elements import ChemicalElement C = ChemicalElement( name="Carbon", atomic_number=6, - atomic_mass=12.0107 * Constants.u, + atomic_mass=12.0107 * Constants.amu, temperature_melt=3915, # Melting temperature = 3915 K temperature_boil=4300, # Boiling temperature = 4300 K latent_heat_of_fusion=117000, # Latent heat of fusion = 117 kJ/mol @@ -18,7 +18,7 @@ C = ChemicalElement( N = ChemicalElement( name="Nitrogen", atomic_number=7, - atomic_mass=14.0067 * Constants.u, + atomic_mass=14.0067 * Constants.amu, temperature_melt=63.15, # Melting temperature = 63.15 K temperature_boil=77.36, # Boiling temperature = 77.36 K latent_heat_of_fusion=720, # Latent heat of fusion = 0.72 kJ/mol @@ -28,7 +28,7 @@ N = ChemicalElement( Al = ChemicalElement( name="Aluminium", atomic_number=13, # Atomic number = 13 / Source: Periodic Table - atomic_mass=26.9815384 * Constants.u, # Atomic mass = 26.9815384 u / Source: NIST + atomic_mass=26.9815384 * Constants.amu, # Atomic mass = 26.9815384 amu / Source: NIST temperature_melt=933.35, # Melting temperature = 933.35 K / Source: RSC temperature_boil=2743, # Boiling temperature = 2743 K / Source: RSC latent_heat_of_fusion=10700, # Latent heat of fusion = 10700 J/kg / Source: CRC @@ -38,7 +38,7 @@ Al = ChemicalElement( Si = ChemicalElement( name="Silicon", atomic_number=14, - atomic_mass=28.0855 * Constants.u, + atomic_mass=28.0855 * Constants.amu, temperature_melt=1687, # Melting temperature = 1687 K temperature_boil=3538, # Boiling temperature = 3538 K latent_heat_of_fusion=50200, # Latent heat of fusion = 50.2 kJ/mol @@ -48,7 +48,7 @@ Si = ChemicalElement( P = ChemicalElement( name="Phosphorus", atomic_number=15, - atomic_mass=30.973762 * Constants.u, + atomic_mass=30.973762 * Constants.amu, temperature_melt=317.3, # Melting temperature = 317.3 K temperature_boil=553.7, # Boiling temperature = 553.7 K latent_heat_of_fusion=2510, # Latent heat of fusion = 2.51 kJ/mol @@ -58,7 +58,7 @@ P = ChemicalElement( S = ChemicalElement( name="Sulfur", atomic_number=16, - atomic_mass=32.065 * Constants.u, + atomic_mass=32.065 * Constants.amu, temperature_melt=388.36, # Melting temperature = 388.36 K temperature_boil=717.8, # Boiling temperature = 717.8 K latent_heat_of_fusion=1730, # Latent heat of fusion = 1.73 kJ/mol @@ -68,7 +68,7 @@ S = ChemicalElement( Ti = ChemicalElement( name="Titanium", atomic_number=22, # Atomic number = 22 / Source: Periodic Table - atomic_mass=47.867 * Constants.u, # Atomic mass = 47.867 u / Source: NIST + atomic_mass=47.867 * Constants.amu, # Atomic mass = 47.867 amu / Source: NIST temperature_melt=1941, # Melting temperature = 1941 K / Source: RSC temperature_boil=3560, # Boiling temperature = 3560 K / Source: RSC latent_heat_of_fusion=18700, # Latent heat of fusion = 18700 J/kg / Source: CRC @@ -78,7 +78,7 @@ Ti = ChemicalElement( V = ChemicalElement( name="Vanadium", atomic_number=23, # Atomic number = 23 / Source: Periodic Table - atomic_mass=50.9415 * Constants.u, # Atomic mass = 50.9415 u / Source: NIST + atomic_mass=50.9415 * Constants.amu, # Atomic mass = 50.9415 amu / Source: NIST temperature_melt=2183, # Melting temperature = 2183 K / Source: RSC temperature_boil=3680, # Boiling temperature = 3680 K / Source: RSC latent_heat_of_fusion=21500, # Latent heat of fusion = 21500 J/kg / Source: CRC @@ -88,7 +88,7 @@ V = ChemicalElement( Cr = ChemicalElement( name="Chromium", atomic_number=24, # Atomic number = 24 / Source: Periodic Table - atomic_mass=51.9961 * Constants.u, # Atomic mass = 51.9961 u / Source: NIST + atomic_mass=51.9961 * Constants.amu, # Atomic mass = 51.9961 amu / Source: NIST temperature_melt=2180, # Melting temperature = 2180 K / Source: RSC temperature_boil=2944, # Boiling temperature = 2944 K / Source: RSC latent_heat_of_fusion=16500, # Latent heat of fusion = 16500 J/kg / Source: CRC @@ -98,7 +98,7 @@ Cr = ChemicalElement( Mn = ChemicalElement( name="Manganese", atomic_number=25, # Atomic number = 25 / Source: Periodic Table - atomic_mass=54.938045 * Constants.u, # Atomic mass = 54.938045 u / Source: NIST + atomic_mass=54.938045 * Constants.amu, # Atomic mass = 54.938045 amu / Source: NIST temperature_melt=1519, # Melting temperature = 1519 K / Source: RSC temperature_boil=2334, # Boiling temperature = 2334 K / Source: RSC latent_heat_of_fusion=12500, # Latent heat of fusion = 12500 J/kg / Source: CRC @@ -108,7 +108,7 @@ Mn = ChemicalElement( Fe = ChemicalElement( name="Iron", atomic_number=26, # Atomic number = 26 / Source: Periodic Table - atomic_mass=55.845 * Constants.u, # Atomic mass = 55.845 u / Source: NIST + atomic_mass=55.845 * Constants.amu, # Atomic mass = 55.845 amu / Source: NIST temperature_melt=1809, # Melting temperature = 1809 K / Source: RSC temperature_boil=3134, # Boiling temperature = 3134 K / Source: RSC latent_heat_of_fusion=13800, # Latent heat of fusion = 13800 J/kg / Source: CRC @@ -118,7 +118,7 @@ Fe = ChemicalElement( Ni = ChemicalElement( name="Nickel", atomic_number=28, # Atomic number = 28 / Source: Periodic Table - atomic_mass=58.6934 * Constants.u, # Atomic mass = 58.6934 u / Source: NIST + atomic_mass=58.6934 * Constants.amu, # Atomic mass = 58.6934 amu / Source: NIST temperature_melt=1728, # Melting temperature = 1728 K / Source: RSC temperature_boil=3186, # Boiling temperature = 3186 K / Source: RSC latent_heat_of_fusion=17200, # Latent heat of fusion = 17200 J/kg / Source: CRC @@ -128,7 +128,7 @@ Ni = ChemicalElement( Mo = ChemicalElement( name="Molybdenum", atomic_number=42, - atomic_mass=95.96 * Constants.u, + atomic_mass=95.96 * Constants.amu, temperature_melt=2896, # Melting temperature = 2896K (2623°C) temperature_boil=4912, # Boiling temperature = 4912K (4639°C) latent_heat_of_fusion=37480, # Latent heat of fusion = 37.48 kJ/mol