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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228870

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-1228870
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 69
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'P', 'O']
  • Chemical System: Ca-Fe-O-P
  • Density: 3.2164070452687796
  • Atomic Density: 0.07743466363447639
  • Unit Cell Volume: 891.0738003035503
  • Molar Volume: 7.777060656487117
  • Full Formula: Ca1 Fe12 P8 O48
  • Reduced Formula: CaFe12(PO6)8
  • Formula Anonymous: AB8C12D48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -484.06276771
  • Final energy per atom: -7.0154024305797105
  • 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.