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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197125

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-1197125
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['K', 'Al', 'As', 'O']
  • Chemical System: Al-As-K-O
  • Density: 2.762732293562466
  • Atomic Density: 0.05658885038047729
  • Unit Cell Volume: 1413.7060474301377
  • Molar Volume: 10.641921013609405
  • Full Formula: K12 Al8 As12 O48
  • Reduced Formula: K3Al2(AsO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -524.53223757
  • Final energy per atom: -6.556652969625
  • 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.