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  1. Third-Parties
  2. MatprojStructure
  3. mp-760811

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-760811
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Li', 'Cu', 'F']
  • Chemical System: Cu-F-Li
  • Density: 3.489138832897788
  • Atomic Density: 0.09408639329038558
  • Unit Cell Volume: 467.65529489688953
  • Molar Volume: 6.400650029609951
  • Full Formula: Li10 Cu6 F28
  • Reduced Formula: Li5Cu3F14
  • Formula Anonymous: A3B5C14
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -199.40535911
  • Final energy per atom: -4.531939979772727
  • 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.