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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221351

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-1221351
  • 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: 38
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Zn', 'As', 'O']
  • Chemical System: As-Mg-Na-O-Zn
  • Density: 4.251828471239827
  • Atomic Density: 0.07905092595508753
  • Unit Cell Volume: 480.7027816674728
  • Molar Volume: 7.618052144539654
  • Full Formula: Na2 Mg1 Zn5 As6 O24
  • Reduced Formula: Na2MgZn5(AsO4)6
  • Formula Anonymous: AB2C5D6E24
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -221.81821984
  • Final energy per atom: -5.837321574736842
  • 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.