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  1. Third-Parties
  2. MatprojStructure
  3. mp-643074

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-643074
  • 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: 26
  • Number of elements: 4
  • Element list: ['Cs', 'P', 'H', 'O']
  • Chemical System: Cs-H-O-P
  • Density: 3.4633277691356503
  • Atomic Density: 0.06137500263490455
  • Unit Cell Volume: 423.62523639573016
  • Molar Volume: 9.8120415502437
  • Full Formula: Cs4 P4 H4 O14
  • Reduced Formula: Cs2P2H2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -169.76545342
  • Final energy per atom: -6.529440516153846
  • 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.