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  1. Third-Parties
  2. MatprojStructure
  3. mp-20046

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-20046
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'As', 'O']
  • Chemical System: As-Co-Li-O
  • Density: 4.273529619191276
  • Atomic Density: 0.0879669866422448
  • Unit Cell Volume: 318.3012294586595
  • Molar Volume: 6.845910028146808
  • Full Formula: Li4 Co4 As4 O16
  • Reduced Formula: LiCoAsO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -185.05293678
  • Final energy per atom: -6.6090334564285715
  • 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.