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  1. Third-Parties
  2. MatprojStructure
  3. mp-567605

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-567605
  • 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: 88
  • Number of elements: 5
  • Element list: ['Ce', 'Tl', 'Fe', 'N', 'O']
  • Chemical System: Ce-Fe-N-O-Tl
  • Density: 4.875738708738711
  • Atomic Density: 0.0707609305359682
  • Unit Cell Volume: 1243.6241204497599
  • Molar Volume: 8.510544893045054
  • Full Formula: Ce2 Tl10 Fe4 N24 O48
  • Reduced Formula: CeTl5Fe2(NO2)12
  • Formula Anonymous: AB2C5D12E24
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -582.19355599
  • Final energy per atom: -6.615835863522728
  • 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.