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  1. Third-Parties
  2. MatprojStructure
  3. mp-646565

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-646565
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Na', 'Ce', 'I', 'N']
  • Chemical System: Ce-I-N-Na
  • Density: 5.213750558497392
  • Atomic Density: 0.029308681706082536
  • Unit Cell Volume: 1910.6966516470143
  • Molar Volume: 20.547293189069652
  • Full Formula: Na4 Ce16 I28 N8
  • Reduced Formula: NaCe4I7N2
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -303.43902604
  • Final energy per atom: -5.418554036428572
  • 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.