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  1. Third-Parties
  2. MatprojStructure
  3. mp-776731

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-776731
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Na', 'Li', 'Fe', 'P', 'C', 'O']
  • Chemical System: C-Fe-Li-Na-O-P
  • Density: 2.854896400460166
  • Atomic Density: 0.08740122253640613
  • Unit Cell Volume: 594.9573528944621
  • Molar Volume: 6.890224856398932
  • Full Formula: Na6 Li6 Fe4 P4 C4 O28
  • Reduced Formula: Na3Li3Fe2P2(CO7)2
  • Formula Anonymous: A2B2C2D3E3F14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -363.7256172
  • Final energy per atom: -6.994723407692307
  • 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.