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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105252

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-1105252
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Pr', 'Bi', 'Au']
  • Chemical System: Au-Bi-Pr
  • Density: 10.997544570618105
  • Atomic Density: 0.03580815176001664
  • Unit Cell Volume: 558.5320385715072
  • Molar Volume: 16.817792776236825
  • Full Formula: Pr6 Bi8 Au6
  • Reduced Formula: Pr3Bi4Au3
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -94.24893979
  • Final energy per atom: -4.7124469895
  • 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.