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  1. Third-Parties
  2. MatprojStructure
  3. mp-761065

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-761065
  • 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: 98
  • Number of elements: 4
  • Element list: ['Na', 'Fe', 'P', 'O']
  • Chemical System: Fe-Na-O-P
  • Density: 2.7304157733563206
  • Atomic Density: 0.0741753703134743
  • Unit Cell Volume: 1321.1932692191472
  • Molar Volume: 8.11878759020641
  • Full Formula: Na18 Fe6 P16 O58
  • Reduced Formula: Na9Fe3P8O29
  • Formula Anonymous: A3B8C9D29
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -685.0770851899999
  • Final energy per atom: -6.990582501938775
  • 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.