Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-24493

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-24493
  • 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: 212
  • Number of elements: 5
  • Element list: ['Na', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-Mn-Na-O-P
  • Density: 1.8701877176335302
  • Atomic Density: 0.10065906358184828
  • Unit Cell Volume: 2106.119334476202
  • Molar Volume: 5.982710891308117
  • Full Formula: Na12 Mn4 P12 H96 O88
  • Reduced Formula: Na3MnP3(H12O11)2
  • Formula Anonymous: AB3C3D22E24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1238.9748932999998
  • Final energy per atom: -5.84422119481132
  • 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.