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  1. Third-Parties
  2. MatprojStructure
  3. mp-729099

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-729099
  • 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: 120
  • Number of elements: 6
  • Element list: ['Rb', 'Cd', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cd-Cl-N-O-Rb
  • Density: 2.932888262721961
  • Atomic Density: 0.05464551888194807
  • Unit Cell Volume: 2195.971462165794
  • Molar Volume: 11.020374375087854
  • Full Formula: Rb16 Cd8 C16 N8 Cl8 O64
  • Reduced Formula: Rb2CdC2NClO8
  • Formula Anonymous: ABCD2E2F8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -734.63332963
  • Final energy per atom: -6.121944413583334
  • 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.