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  1. Third-Parties
  2. MatprojStructure
  3. mp-673047

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-673047
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Cu', 'P', 'O']
  • Chemical System: Cu-O-P
  • Density: 2.9672650485659156
  • Atomic Density: 0.06763658280233337
  • Unit Cell Volume: 532.2563398155303
  • Molar Volume: 8.903673885476433
  • Full Formula: Cu6 P6 O24
  • Reduced Formula: CuPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -240.19062863
  • Final energy per atom: -6.671961906388889
  • 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.