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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178613

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-1178613
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Zr', 'As', 'O']
  • Chemical System: As-O-Zr
  • Density: 3.2384208410771866
  • Atomic Density: 0.05894243331581645
  • Unit Cell Volume: 458.0740644915807
  • Molar Volume: 10.216987018050434
  • Full Formula: Zr3 As4 O20
  • Reduced Formula: Zr3(AsO5)4
  • Formula Anonymous: A3B4C20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -191.88645978
  • Final energy per atom: -7.106905917777778
  • 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.