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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220899

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-1220899
  • 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: 60
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-Na-O-P
  • Density: 2.9803728273011325
  • Atomic Density: 0.08328366820028453
  • Unit Cell Volume: 720.4293626417744
  • Molar Volume: 7.230878382443086
  • Full Formula: Na12 Fe4 P8 H2 O34
  • Reduced Formula: Na6Fe2P4HO17
  • Formula Anonymous: AB2C4D6E17
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -409.83300032
  • Final energy per atom: -6.8305500053333335
  • 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.