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  1. Third-Parties
  2. MatprojStructure
  3. mp-17977

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-17977
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 2
  • Element list: ['Fe', 'As']
  • Chemical System: As-Fe
  • Density: 8.138862924865885
  • Atomic Density: 0.07975391472451115
  • Unit Cell Volume: 213.15568093079835
  • Molar Volume: 7.55090302564068
  • Full Formula: Fe12 As5
  • Reduced Formula: Fe12As5
  • Formula Anonymous: A5B12
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -126.12514334
  • Final energy per atom: -7.419126078823529
  • 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.