Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-24696

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-24696
  • 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: 270
  • Number of elements: 4
  • Element list: ['H', 'O', 'Mg', 'Sb']
  • Chemical System: H-Mg-O-Sb
  • Density: 2.5476747738021355
  • Atomic Density: 0.11903532044681565
  • Unit Cell Volume: 2268.2343273115694
  • Molar Volume: 5.059120887308956
  • Full Formula: Mg6 Sb12 H144 O108
  • Reduced Formula: MgSb2(H4O3)6
  • Formula Anonymous: AB2C18D24
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -1471.0680463699998
  • Final energy per atom: -5.44840017174074
  • 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.