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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101752

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-1101752
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Pr', 'As', 'S']
  • Chemical System: As-Pr-S
  • Density: 5.888830695460729
  • Atomic Density: 0.04291753524593077
  • Unit Cell Volume: 279.6059916124326
  • Molar Volume: 14.031888656912074
  • Full Formula: Pr4 As4 S4
  • Reduced Formula: PrAsS
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -75.02018936
  • Final energy per atom: -6.251682446666667
  • 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.