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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221180

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-1221180
  • 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: 40
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Fe', 'P', 'O']
  • Chemical System: Ca-Fe-Na-O-P
  • Density: 3.2343349955933443
  • Atomic Density: 0.08355298082441193
  • Unit Cell Volume: 478.73815638080833
  • Molar Volume: 7.207571412270299
  • Full Formula: Na5 Ca2 Fe3 P6 O24
  • Reduced Formula: Na5Ca2Fe3(PO4)6
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -293.23406527
  • Final energy per atom: -7.330851631749999
  • 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.