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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220229

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-1220229
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Pr', 'Zn', 'As']
  • Chemical System: As-Pr-Zn
  • Density: 5.867565701971453
  • Atomic Density: 0.04401982349621805
  • Unit Cell Volume: 318.0385310087126
  • Molar Volume: 13.680520005986372
  • Full Formula: Pr2 Zn6 As6
  • Reduced Formula: Pr(ZnAs)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -52.64159401
  • Final energy per atom: -3.7601138578571427
  • 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.