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  1. Third-Parties
  2. MatprojStructure
  3. mp-1259854

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-1259854
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Al', 'Fe', 'P', 'O']
  • Chemical System: Al-Fe-O-P
  • Density: 3.052165702718798
  • Atomic Density: 0.07625274929065097
  • Unit Cell Volume: 1206.5138746581526
  • Molar Volume: 7.897604763135209
  • Full Formula: Al8 Fe12 P12 O60
  • Reduced Formula: Al2Fe3(PO5)3
  • Formula Anonymous: A2B3C3D15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -717.64274935
  • Final energy per atom: -7.800464666847827
  • 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.