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  1. Third-Parties
  2. MatprojStructure
  3. mp-850747

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-850747
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-Li-O-P
  • Density: 3.2104764450686525
  • Atomic Density: 0.08743256025579385
  • Unit Cell Volume: 640.4936540365015
  • Molar Volume: 6.887755250883132
  • Full Formula: Li4 Fe8 P8 H4 O32
  • Reduced Formula: LiFe2P2HO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -416.60079669
  • Final energy per atom: -7.439299940892857
  • 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.