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  1. Third-Parties
  2. MatprojStructure
  3. mp-680395

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-680395
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 2
  • Element list: ['Li', 'As']
  • Chemical System: As-Li
  • Density: 3.9235346441587073
  • Atomic Density: 0.04333246999771053
  • Unit Cell Volume: 3692.38125609857
  • Molar Volume: 13.897524789881997
  • Full Formula: Li48 As112
  • Reduced Formula: Li3As7
  • Formula Anonymous: A3B7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -659.98667383
  • Final energy per atom: -4.1249167114375
  • 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.