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  1. Third-Parties
  2. MatprojStructure
  3. mp-581114

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-581114
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['Cs', 'Y', 'Si', 'O', 'F']
  • Chemical System: Cs-F-O-Si-Y
  • Density: 3.461314197578244
  • Atomic Density: 0.05807611048870997
  • Unit Cell Volume: 2479.5048908792487
  • Molar Volume: 10.369394074988383
  • Full Formula: Cs16 Y8 Si32 O80 F8
  • Reduced Formula: Cs2YSi4O10F
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1127.36387081
  • Final energy per atom: -7.8289157695138885
  • 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.