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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181915

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-1181915
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ce', 'Al', 'P', 'O']
  • Chemical System: Al-Ce-O-P
  • Density: 3.7605008964592637
  • Atomic Density: 0.08933442744307275
  • Unit Cell Volume: 223.87785507154842
  • Molar Volume: 6.741119781438722
  • Full Formula: Ce1 Al3 P2 O14
  • Reduced Formula: CeAl3(PO7)2
  • Formula Anonymous: AB2C3D14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -149.49273986
  • Final energy per atom: -7.474636993
  • 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.