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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206328

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-1206328
  • 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: 6
  • Number of elements: 3
  • Element list: ['Pr', 'As', 'Au']
  • Chemical System: As-Au-Pr
  • Density: 0.40886010130335965
  • Atomic Density: 0.0020998292143552854
  • Unit Cell Volume: 2857.3752374629153
  • Molar Volume: 286.791931402335
  • Full Formula: Pr2 As3 Au1
  • Reduced Formula: Pr2As3Au
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -13.37354557
  • Final energy per atom: -2.2289242616666667
  • 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.