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  1. Third-Parties
  2. MatprojStructure
  3. mp-27580

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-27580
  • 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: 44
  • Number of elements: 3
  • Element list: ['Zn', 'As', 'O']
  • Chemical System: As-O-Zn
  • Density: 4.0313148282219275
  • Atomic Density: 0.060409132666885634
  • Unit Cell Volume: 728.3666898948775
  • Molar Volume: 9.968924389641414
  • Full Formula: Zn12 As8 O24
  • Reduced Formula: Zn3(AsO3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -248.84291928
  • Final energy per atom: -5.655520892727273
  • 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.