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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197728

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-1197728
  • 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: 4
  • Element list: ['Fe', 'B', 'P', 'O']
  • Chemical System: B-Fe-O-P
  • Density: 3.1485820899840387
  • Atomic Density: 0.08377247028189971
  • Unit Cell Volume: 429.7354474430287
  • Molar Volume: 7.188687094620836
  • Full Formula: Fe4 B2 P6 O24
  • Reduced Formula: Fe2B(PO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -287.63704058
  • Final energy per atom: -7.989917793888889
  • 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.