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  1. Third-Parties
  2. MatprojStructure
  3. mp-556450

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-556450
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Pr', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-O-Pr
  • Density: 4.011532715870399
  • Atomic Density: 0.07377049128448461
  • Unit Cell Volume: 216.8888904141691
  • Molar Volume: 8.163346420964633
  • Full Formula: Pr2 B4 Cl2 O8
  • Reduced Formula: PrB2ClO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -129.04945657
  • Final energy per atom: -8.065591035625
  • 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.