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  1. Third-Parties
  2. MatprojStructure
  3. mp-707911

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-707911
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 200
  • Number of elements: 5
  • Element list: ['Na', 'Fe', 'P', 'H', 'O']
  • Chemical System: Fe-H-Na-O-P
  • Density: 2.3728604131966415
  • Atomic Density: 0.09235753445086775
  • Unit Cell Volume: 2165.4973921634487
  • Molar Volume: 6.520465055510605
  • Full Formula: Na8 Fe8 P24 H56 O104
  • Reduced Formula: NaFeP3H7O13
  • Formula Anonymous: ABC3D7E13
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1314.67780568
  • Final energy per atom: -6.573389028399999
  • 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.