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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205467

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-1205467
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 4
  • Element list: ['Te', 'Os', 'O', 'F']
  • Chemical System: F-O-Os-Te
  • Density: 3.6470113051751327
  • Atomic Density: 0.055794294903238784
  • Unit Cell Volume: 1613.068148922438
  • Molar Volume: 10.793470498092848
  • Full Formula: Te14 Os2 O10 F64
  • Reduced Formula: Te7OsO5F32
  • Formula Anonymous: AB5C7D32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -442.01089553
  • Final energy per atom: -4.911232172555556
  • 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.