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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217575

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-1217575
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 2
  • Element list: ['Th', 'Ag']
  • Chemical System: Ag-Th
  • Density: 10.422723268114808
  • Atomic Density: 0.04662800045922319
  • Unit Cell Volume: 1394.0121677926843
  • Molar Volume: 12.915288454769668
  • Full Formula: Th14 Ag51
  • Reduced Formula: Th14Ag51
  • Formula Anonymous: A14B51
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -257.89883778
  • Final energy per atom: -3.9676744273846154
  • 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.