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  1. Third-Parties
  2. MatprojStructure
  3. mp-772865

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-772865
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 5
  • Element list: ['Li', 'V', 'Fe', 'Cu', 'O']
  • Chemical System: Cu-Fe-Li-O-V
  • Density: 3.617727743655897
  • Atomic Density: 0.0800875159611058
  • Unit Cell Volume: 486.96728237819485
  • Molar Volume: 7.519450051272198
  • Full Formula: Li3 V6 Fe4 Cu2 O24
  • Reduced Formula: Li3V6Fe4(CuO12)2
  • Formula Anonymous: A2B3C4D6E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -301.0221951
  • Final energy per atom: -7.7185178230769225
  • 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.