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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227013

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-1227013
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Cd', 'Sb', 'S']
  • Chemical System: Cd-S-Sb
  • Density: 4.508356328470696
  • Atomic Density: 0.039435085616565564
  • Unit Cell Volume: 481.8044566896702
  • Molar Volume: 15.271022405160618
  • Full Formula: Cd2 Sb6 S11
  • Reduced Formula: Cd2Sb6S11
  • Formula Anonymous: A2B6C11
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -81.3915376
  • Final energy per atom: -4.2837651368421055
  • 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.