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  1. Third-Parties
  2. MatprojStructure
  3. mp-1290947

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-1290947
  • 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: 18
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'P', 'O', 'F']
  • Chemical System: F-Li-Mn-O-P
  • Density: 2.878915486714754
  • Atomic Density: 0.0826376117684155
  • Unit Cell Volume: 217.81849226770234
  • Molar Volume: 7.287409003150417
  • Full Formula: Li3 Mn2 P2 O8 F3
  • Reduced Formula: Li3Mn2P2O8F3
  • Formula Anonymous: A2B2C3D3E8
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -127.35733196
  • Final energy per atom: -7.075407331111111
  • 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.