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  1. Third-Parties
  2. MatprojStructure
  3. mp-650619

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-650619
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Cs', 'Bi', 'Se']
  • Chemical System: Bi-Cs-Se
  • Density: 6.111686152130565
  • Atomic Density: 0.02882488334370149
  • Unit Cell Volume: 763.2294548316779
  • Molar Volume: 20.892160041701942
  • Full Formula: Cs3 Bi7 Se12
  • Reduced Formula: Cs3Bi7Se12
  • Formula Anonymous: A3B7C12
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -91.10441172
  • Final energy per atom: -4.141109623636364
  • 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.