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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201819

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-1201819
  • 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: 43
  • Number of elements: 4
  • Element list: ['Zn', 'Fe', 'P', 'O']
  • Chemical System: Fe-O-P-Zn
  • Density: 3.730680885005054
  • Atomic Density: 0.08224043178379727
  • Unit Cell Volume: 522.8571770275131
  • Molar Volume: 7.32260352892075
  • Full Formula: Zn4 Fe5 P6 O28
  • Reduced Formula: Zn4Fe5(P3O14)2
  • Formula Anonymous: A4B5C6D28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -307.91692251
  • Final energy per atom: -7.160858663023256
  • 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.