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  1. Third-Parties
  2. MatprojStructure
  3. mp-677308

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-677308
  • 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: 18
  • Number of elements: 3
  • Element list: ['Na', 'Pr', 'Cl']
  • Chemical System: Cl-Na-Pr
  • Density: 3.922814466299892
  • Atomic Density: 0.041082935373696845
  • Unit Cell Volume: 438.13811832745563
  • Molar Volume: 14.658496782719297
  • Full Formula: Na2 Pr4 Cl12
  • Reduced Formula: NaPr2Cl6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -88.16303238
  • Final energy per atom: -4.897946243333333
  • 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.