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  1. Third-Parties
  2. MatprojStructure
  3. mp-5122

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-5122
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'P']
  • Chemical System: Al-Na-P
  • Density: 1.9107282498989322
  • Atomic Density: 0.04372435680081469
  • Unit Cell Volume: 274.44657573044987
  • Molar Volume: 13.772965917906406
  • Full Formula: Na6 Al2 P4
  • Reduced Formula: Na3AlP2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -43.21188164
  • Final energy per atom: -3.600990136666667
  • 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.