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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203284

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-1203284
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Na', 'Mo', 'As', 'O']
  • Chemical System: As-Mo-Na-O
  • Density: 3.0527854818625904
  • Atomic Density: 0.058840845691007414
  • Unit Cell Volume: 781.7698651301018
  • Molar Volume: 10.234626455955846
  • Full Formula: Na4 Mo4 As6 O32
  • Reduced Formula: Na2Mo2As3O16
  • Formula Anonymous: A2B2C3D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -285.68789451
  • Final energy per atom: -6.210606402391304
  • 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.