Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-765464

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-765464
  • 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: 124
  • Number of elements: 4
  • Element list: ['Fe', 'H', 'Se', 'O']
  • Chemical System: Fe-H-O-Se
  • Density: 2.986056391753225
  • Atomic Density: 0.09296382098783919
  • Unit Cell Volume: 1333.8522307104904
  • Molar Volume: 6.477940230950458
  • Full Formula: Fe8 H44 Se12 O60
  • Reduced Formula: Fe2H11(SeO5)3
  • Formula Anonymous: A2B3C11D15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -700.69928609
  • Final energy per atom: -5.650800694274193
  • 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.