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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180871

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-1180871
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'As', 'O']
  • Chemical System: As-Cu-K-O
  • Density: 4.058768842351459
  • Atomic Density: 0.07247940023559954
  • Unit Cell Volume: 220.75237857916653
  • Molar Volume: 8.308761855678435
  • Full Formula: K1 Cu3 As2 O10
  • Reduced Formula: KCu3(AsO5)2
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -92.89564198
  • Final energy per atom: -5.80597762375
  • 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.