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  1. Third-Parties
  2. MatprojStructure
  3. mp-23096

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-23096
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Lu', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Lu-O-Se
  • Density: 5.178255089330478
  • Atomic Density: 0.05545855846627513
  • Unit Cell Volume: 432.7555685493453
  • Molar Volume: 10.858812285324943
  • Full Formula: Lu4 Se4 Cl4 O12
  • Reduced Formula: LuSeClO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -158.83530019
  • Final energy per atom: -6.618137507916667
  • 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.