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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227116

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1227116
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'Si', 'Rh']
  • Chemical System: Ca-Fe-Rh-Si
  • Density: 5.210817684299439
  • Atomic Density: 0.061530076687195095
  • Unit Cell Volume: 81.26107213255823
  • Molar Volume: 9.787312293815582
  • Full Formula: Ca1 Fe1 Si2 Rh1
  • Reduced Formula: CaFeSi2Rh
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -32.05796339
  • Final energy per atom: -6.411592678
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.