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  1. Third-Parties
  2. MatprojStructure
  3. mp-758693

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-758693
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'H', 'O']
  • Chemical System: Al-H-Na-O
  • Density: 2.3042672473158
  • Atomic Density: 0.10292337408531449
  • Unit Cell Volume: 602.3898900613908
  • Molar Volume: 5.851091468307453
  • Full Formula: Na8 Al8 H20 O26
  • Reduced Formula: Na4Al4H10O13
  • Formula Anonymous: A4B4C10D13
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -368.8045668200001
  • Final energy per atom: -5.948460755161292
  • 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.