Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1201485

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-1201485
  • 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: 86
  • Number of elements: 5
  • Element list: ['Mn', 'Ge', 'P', 'H', 'O']
  • Chemical System: Ge-H-Mn-O-P
  • Density: 3.0204594953894497
  • Atomic Density: 0.1002287223010814
  • Unit Cell Volume: 858.0374769386052
  • Molar Volume: 6.008398213348296
  • Full Formula: Mn8 Ge2 P8 H24 O44
  • Reduced Formula: Mn4GeP4(H6O11)2
  • Formula Anonymous: AB4C4D12E22
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -595.89113858
  • Final energy per atom: -6.9289667276744185
  • 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.