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  1. Third-Parties
  2. MatprojStructure
  3. mp-695422

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-695422
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Cd', 'Ge', 'P', 'H', 'O']
  • Chemical System: Cd-Ge-H-O-P
  • Density: 3.6331270168647114
  • Atomic Density: 0.08591888139247422
  • Unit Cell Volume: 605.2220321918061
  • Molar Volume: 7.0091005171390535
  • Full Formula: Cd4 Ge4 P4 H12 O28
  • Reduced Formula: CdGePH3O7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -303.17937152
  • Final energy per atom: -5.83037252923077
  • 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.