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  1. Third-Parties
  2. MatprojStructure
  3. mp-760822

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-760822
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['Li', 'V', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-Li-O-P-V
  • Density: 3.1291146473880147
  • Atomic Density: 0.09842308302242085
  • Unit Cell Volume: 365.76785541049526
  • Molar Volume: 6.1186264187925845
  • Full Formula: Li4 V2 Fe2 P4 H4 O20
  • Reduced Formula: Li2VFeP2(HO5)2
  • Formula Anonymous: ABC2D2E2F10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -262.26094634
  • Final energy per atom: -7.285026287222221
  • 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.