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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211416

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-1211416
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Mg', 'Cu', 'As', 'O']
  • Chemical System: As-Cu-K-Mg-O
  • Density: 3.897729926926983
  • Atomic Density: 0.0792571620783755
  • Unit Cell Volume: 504.6862510727417
  • Molar Volume: 7.598229108991879
  • Full Formula: K2 Mg6 Cu2 As6 O24
  • Reduced Formula: KMg3Cu(AsO4)3
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -254.67744089
  • Final energy per atom: -6.36693602225
  • 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.