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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226988

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-1226988
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Cs', 'Rb', 'Mo', 'P', 'O']
  • Chemical System: Cs-Mo-O-P-Rb
  • Density: 3.5822935455753986
  • Atomic Density: 0.06276753972225307
  • Unit Cell Volume: 1593.1801762901796
  • Molar Volume: 9.594355277661075
  • Full Formula: Cs3 Rb5 Mo12 P12 O68
  • Reduced Formula: Cs3Rb5Mo12(P3O17)4
  • Formula Anonymous: A3B5C12D12E68
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -778.19419464
  • Final energy per atom: -7.7819419464
  • 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.