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  1. Third-Parties
  2. MatprojStructure
  3. mp-745173

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-745173
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['Na', 'Cd', 'P', 'H', 'Cl', 'O']
  • Chemical System: Cd-Cl-H-Na-O-P
  • Density: 2.698255661934944
  • Atomic Density: 0.0674311011418516
  • Unit Cell Volume: 741.4976050119275
  • Molar Volume: 8.93080590116942
  • Full Formula: Na3 Cd4 P6 H10 Cl3 O24
  • Reduced Formula: Na3Cd4P6H10(ClO8)3
  • Formula Anonymous: A3B3C4D6E10F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -278.15395546
  • Final energy per atom: -5.5630791092
  • 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.