Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1210726

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-1210726
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Mg', 'Fe', 'H', 'Se', 'O']
  • Chemical System: Fe-H-Mg-O-Se
  • Density: 3.555039347268386
  • Atomic Density: 0.07627491673828009
  • Unit Cell Volume: 458.86644648980064
  • Molar Volume: 7.895309516578821
  • Full Formula: Mg3 Fe2 H4 Se6 O20
  • Reduced Formula: Mg3Fe2H4(Se3O10)2
  • Formula Anonymous: A2B3C4D6E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -214.07401183000005
  • Final energy per atom: -6.116400338000001
  • 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.