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  1. Third-Parties
  2. MatprojStructure
  3. mp-734466

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-734466
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Cd', 'S', 'O']
  • Chemical System: Cd-O-S
  • Density: 2.78632806820144
  • Atomic Density: 0.05790574606023933
  • Unit Cell Volume: 898.0110530983301
  • Molar Volume: 10.399901857296111
  • Full Formula: Cd6 S6 O40
  • Reduced Formula: Cd3S3O20
  • Formula Anonymous: A3B3C20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -279.29284949
  • Final energy per atom: -5.371016336346154
  • 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.