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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203302

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-1203302
  • 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: 144
  • Number of elements: 4
  • Element list: ['Na', 'Cu', 'As', 'O']
  • Chemical System: As-Cu-Na-O
  • Density: 3.8790357153805313
  • Atomic Density: 0.07578239283107974
  • Unit Cell Volume: 1900.1775296404073
  • Molar Volume: 7.946622605891393
  • Full Formula: Na28 Cu16 As20 O80
  • Reduced Formula: Na7Cu4(AsO4)5
  • Formula Anonymous: A4B5C7D20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -836.28077354
  • Final energy per atom: -5.807505371805556
  • 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.