Simulations were done at 100, 400, 700, 1000, 1300 and 1600 °C, 1, 10 and 100 mbar total pressure, an ammonia to carrier ratio of 1:100, 1:10 and 1:1 with hydrogen, nitrogen, 50:50 hydrogen nitrogen mixture and argon as carrier gas, yielding in total 216 parameter combinations, capturing the expected conditions during thermal CVD and atomic layer deposition (ALD) using ammonia. Simulations used the isothermal-isobaric ensemble with a batch reactor model fixing the temperature and pressure to the predetermined parameter value and letting the volume change by