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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191524

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-1191524
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-O-P
  • Density: 2.388833482390246
  • Atomic Density: 0.0817705912079067
  • Unit Cell Volume: 269.0453826371839
  • Molar Volume: 7.3646780230417335
  • Full Formula: Cu2 P4 H8 O8
  • Reduced Formula: CuP2(HO)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -123.05311655
  • Final energy per atom: -5.593323479545455
  • 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.