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  1. Third-Parties
  2. MatprojStructure
  3. mp-685513

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-685513
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Pr', 'Mn', 'S']
  • Chemical System: Mn-Pr-S
  • Density: 5.09031824591138
  • Atomic Density: 0.04267927383553285
  • Unit Cell Volume: 1593.2792170279677
  • Molar Volume: 14.110223110183838
  • Full Formula: Pr24 Mn4 S40
  • Reduced Formula: Pr6MnS10
  • Formula Anonymous: AB6C10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -461.30839872
  • Final energy per atom: -6.78394704
  • 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.