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  1. Third-Parties
  2. MatprojStructure
  3. mvc-5327

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: mvc-5327
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'Ag', 'O']
  • Chemical System: Ag-Ca-O-Y
  • Density: 4.41814707125911
  • Atomic Density: 0.06708943245861847
  • Unit Cell Volume: 268.2985880243153
  • Molar Volume: 8.976288126620426
  • Full Formula: Ca4 Y2 Ag2 O10
  • Reduced Formula: Ca2YAgO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -121.83079309
  • Final energy per atom: -6.768377393888889
  • 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.