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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201654

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-1201654
  • 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: 42
  • Number of elements: 4
  • Element list: ['Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-O-P
  • Density: 3.0421371569043516
  • Atomic Density: 0.08038928347244056
  • Unit Cell Volume: 522.4576981631966
  • Molar Volume: 7.491223332105628
  • Full Formula: Cu6 P6 H6 O24
  • Reduced Formula: CuPHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -275.07911093
  • Final energy per atom: -6.549502641190476
  • 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.