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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173819

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-1173819
  • Created at: Sept. 4, 2022, 2:46 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: 3.1301465426727537
  • Atomic Density: 0.07822432510210091
  • Unit Cell Volume: 639.1873619202005
  • Molar Volume: 7.698552530993023
  • Full Formula: Na3 Cd4 P6 H10 Cl3 O24
  • Reduced Formula: Na3Cd4P6H10(ClO8)3
  • Formula Anonymous: A3B3C4D6E10F24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -301.62857811
  • Final energy per atom: -6.032571562199999
  • 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.