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  1. Third-Parties
  2. MatprojStructure
  3. mp-17387

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-17387
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Li', 'V', 'As', 'O']
  • Chemical System: As-Li-O-V
  • Density: 3.7047860668865256
  • Atomic Density: 0.08387454082967633
  • Unit Cell Volume: 381.5222078530631
  • Molar Volume: 7.17993887111601
  • Full Formula: Li4 V4 As4 O20
  • Reduced Formula: LiVAsO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -231.49379901
  • Final energy per atom: -7.2341812190625
  • 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.