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  1. Third-Parties
  2. MatprojStructure
  3. mp-728976

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-728976
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Rb', 'Nb', 'Cl', 'O']
  • Chemical System: Cl-Nb-O-Rb
  • Density: 3.132324493487547
  • Atomic Density: 0.04122739882984649
  • Unit Cell Volume: 824.6942801393953
  • Molar Volume: 14.607132467547975
  • Full Formula: Rb4 Nb6 Cl14 O10
  • Reduced Formula: Rb2Nb3Cl7O5
  • Formula Anonymous: A2B3C5D7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -223.12890658
  • Final energy per atom: -6.562614899411765
  • 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.