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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178743

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-1178743
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Y', 'Al', 'Si', 'O', 'F']
  • Chemical System: Al-F-O-Si-Y
  • Density: 4.106561829940951
  • Atomic Density: 0.0784226420792641
  • Unit Cell Volume: 280.53122690974817
  • Molar Volume: 7.679084254663652
  • Full Formula: Y4 Al1 Si2 O10 F5
  • Reduced Formula: Y4AlSi2(O2F)5
  • Formula Anonymous: AB2C4D5E10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -178.94549118999998
  • Final energy per atom: -8.133885963181818
  • 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.