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  1. Third-Parties
  2. MatprojStructure
  3. mp-560938

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-560938
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Cs', 'Mo', 'P', 'O']
  • Chemical System: Cs-Mo-O-P
  • Density: 3.750358773404726
  • Atomic Density: 0.06015543807730126
  • Unit Cell Volume: 1296.6408772514967
  • Molar Volume: 10.01096651022871
  • Full Formula: Cs6 Mo10 P12 O50
  • Reduced Formula: Cs3Mo5P6O25
  • Formula Anonymous: A3B5C6D25
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -617.74244564
  • Final energy per atom: -7.919774944102564
  • 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.