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  1. Third-Parties
  2. MatprojStructure
  3. mp-18493

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-18493
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Na', 'Fe', 'P', 'O']
  • Chemical System: Fe-Na-O-P
  • Density: 3.1927373001008164
  • Atomic Density: 0.08264425414518205
  • Unit Cell Volume: 508.2022995357687
  • Molar Volume: 7.286823291333528
  • Full Formula: Na8 Fe4 P6 O24
  • Reduced Formula: Na4Fe2(PO4)3
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -298.3284763
  • Final energy per atom: -7.103058959523809
  • 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.