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  1. Third-Parties
  2. MatprojStructure
  3. mp-568505

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-568505
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['As', 'C']
  • Chemical System: As-C
  • Density: 5.6965886803558385
  • Atomic Density: 0.07153005040754849
  • Unit Cell Volume: 97.86096836388218
  • Molar Volume: 8.419036091388648
  • Full Formula: As4 C3
  • Reduced Formula: As4C3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -40.21055837
  • Final energy per atom: -5.744365481428572
  • 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.