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  1. Third-Parties
  2. MatprojStructure
  3. mp-568959

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-568959
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['La', 'As']
  • Chemical System: As-La
  • Density: 6.614355055200775
  • Atomic Density: 0.035729472003496195
  • Unit Cell Volume: 391.8333861365227
  • Molar Volume: 16.854827184154082
  • Full Formula: La8 As6
  • Reduced Formula: La4As3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -86.06901267
  • Final energy per atom: -6.147786619285715
  • 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.