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  1. Third-Parties
  2. MatprojStructure
  3. mp-540653

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-540653
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Sr', 'Al', 'F']
  • Chemical System: Al-F-Sr
  • Density: 3.7130061963095353
  • Atomic Density: 0.07467869040691771
  • Unit Cell Volume: 749.8792452687754
  • Molar Volume: 8.06406851430559
  • Full Formula: Sr8 Al8 F40
  • Reduced Formula: SrAlF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 79
  • Spacegroup Symbol: I4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -345.97997557
  • Final energy per atom: -6.178213849464286
  • 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.