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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104020

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-1104020
  • 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: 12
  • Number of elements: 4
  • Element list: ['Cs', 'U', 'Au', 'Se']
  • Chemical System: Au-Cs-Se-U
  • Density: 7.203941748357819
  • Atomic Density: 0.03234406998331394
  • Unit Cell Volume: 371.01082226790595
  • Molar Volume: 18.618994959838933
  • Full Formula: Cs2 U2 Au2 Se6
  • Reduced Formula: CsUAuSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -66.88357088
  • Final energy per atom: -5.573630906666666
  • 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.