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  1. Third-Parties
  2. MatprojStructure
  3. mp-1256333

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-1256333
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 5
  • Element list: ['Al', 'Cu', 'Si', 'O', 'F']
  • Chemical System: Al-Cu-F-O-Si
  • Density: 3.429689248966099
  • Atomic Density: 0.08970171360775421
  • Unit Cell Volume: 1828.2816838609772
  • Molar Volume: 6.713518078744284
  • Full Formula: Al20 Cu12 Si24 O84 F24
  • Reduced Formula: Al5Cu3Si6(O7F2)3
  • Formula Anonymous: A3B5C6D6E21
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1185.40068772
  • Final energy per atom: -7.228052973902439
  • 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.