ABSTRACT

This work presents the heat capacities of the four lithium silicide phases Li12Si7, Li7Si3, Li13Si4, and Li22Si5/ Li21Si5 as a function of temperature over the range from (2 to 873) K. The measurements were carried out using three different calorimeters. The heat capacities were determined over the range between (2 and 300) K by a relaxation technique using a Physical Properties Measurement System (PPMS) from Quantum Design, within the range between (283 and 353) K by means of a Micro DSC II (Setaram), and data between (303 and 873) K were measured by using a Sensys DSC from Setaram applying the Cp-by-step method. The experimental data are given with an accuracy of (1 to 2)% above T = 20 K and up to 8% below 20 K. The results of the measurements at low temperatures permit the calculation of additional thermodynamic parameters such as the standard entropy as well as the temperature coefficients of electronic and lattice contributions to the heat capacity. The results represent a significant broadening of the data basis for thermodynamic calculations (e.g. CALPHAD) in the Li + Si system.

Compounds

#	Formula	Name
1	Li12Si7	lithium silicide (Li12Si7)
2	Li7Si3	lithium silicide (Li7Si3)
3	Li13Si4	lithium silicide (Li13Si4)
4	Li22Si5	lithium silicide (Li22Si5)

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	83
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	20
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	232
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	1	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	1	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	29
POMD	1	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	29
POMD	1	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	29
POMD	2	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	relaxation calorimetry - PPMS	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	relaxation calorimetry - PPMS	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	relaxation calorimetry - PPMS	113
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	relaxation calorimetry - PPMS	21
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small sample (50 mg) DSC	12
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small sample (50 mg) DSC	174
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	relaxation calorimetry - PPMS	31
POMD	2	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	relaxation calorimetry - PPMS	31
POMD	2	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	relaxation calorimetry - PPMS	31
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	relaxation calorimetry - PPMS	14
POMD	2	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	relaxation calorimetry - PPMS	14
POMD	2	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	relaxation calorimetry - PPMS	14
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small sample (50 mg) DSC	29
POMD	2	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small sample (50 mg) DSC	29
POMD	2	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small sample (50 mg) DSC	29
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	254
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	21
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	174
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	3	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	3	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	29
POMD	3	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	29
POMD	3	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	29
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	4	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	4	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	35
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	28
POMD	4	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	28
POMD	4	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	28
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	relaxation calorimetry - PPMS	83
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	12
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	106

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

The heat capacity and entropy of lithium silicides over the temperature range from (2 to 873) K

Thomas, D.[Daniel], Abdel-Hafiez, M.[Mahmoud], Gruber, T.[Thomas], Huttl, R.[Regina], Seidel, J.[Jurgen], Wolter, A. U. B.[Anja U.B.], Buchner, B.[Bernd], Kortus, J.[Jens], Mertens, F.[Florian]

ABSTRACT