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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173842

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-1173842
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mg', 'Fe', 'P', 'O']
  • Chemical System: Ca-Fe-Mg-Na-O-P
  • Density: 3.3302120122867613
  • Atomic Density: 0.0847099502715523
  • Unit Cell Volume: 1322.1587268197509
  • Molar Volume: 7.109130321402613
  • Full Formula: Na2 Ca2 Mg6 Fe12 P18 O72
  • Reduced Formula: NaCaMg3Fe6(PO4)9
  • Formula Anonymous: ABC3D6E9F36
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -861.09948792
  • Final energy per atom: -7.688388285
  • 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.