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  1. Third-Parties
  2. MatprojStructure
  3. mp-561448

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-561448
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Na', 'Ce', 'As', 'O']
  • Chemical System: As-Ce-Na-O
  • Density: 3.982878587606918
  • Atomic Density: 0.07299546545516783
  • Unit Cell Volume: 1260.3522619703595
  • Molar Volume: 8.250020357358588
  • Full Formula: Na16 Ce4 As16 O56
  • Reduced Formula: Na4Ce(As2O7)2
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -596.4370828799999
  • Final energy per atom: -6.483011770434782
  • 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.