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  1. Third-Parties
  2. MatprojStructure
  3. mp-38347

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-38347
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Ca', 'Pr', 'Se']
  • Chemical System: Ca-Pr-Se
  • Density: 6.407395518997186
  • Atomic Density: 0.0383151271918389
  • Unit Cell Volume: 1096.1727933124537
  • Molar Volume: 15.717397282404722
  • Full Formula: Ca2 Pr16 Se24
  • Reduced Formula: Ca(Pr2Se3)4
  • Formula Anonymous: AB8C12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -254.58408523
  • Final energy per atom: -6.061525838809524
  • 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.