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  1. Third-Parties
  2. MatprojStructure
  3. mp-25886

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-25886
  • 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: 12
  • Number of elements: 3
  • Element list: ['Cu', 'P', 'O']
  • Chemical System: Cu-O-P
  • Density: 3.7121196105101117
  • Atomic Density: 0.08461498426969905
  • Unit Cell Volume: 141.81885281396012
  • Molar Volume: 7.1171091172282495
  • Full Formula: Cu2 P2 O8
  • Reduced Formula: CuPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -80.22572683
  • Final energy per atom: -6.685477235833333
  • 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.