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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222730

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-1222730
  • 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: 134
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Al', 'O']
  • Chemical System: Al-Ca-Na-O
  • Density: 2.9512857765793585
  • Atomic Density: 0.07318680032696115
  • Unit Cell Volume: 1830.9312526487922
  • Molar Volume: 8.228452033831456
  • Full Formula: Na4 Ca34 Al24 O72
  • Reduced Formula: Na2Ca17Al12O36
  • Formula Anonymous: A2B12C17D36
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -962.98597866
  • Final energy per atom: -7.186462527313433
  • 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.