Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233395

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-1233395
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 5
  • Element list: ['Rb', 'Mg', 'H', 'Se', 'O']
  • Chemical System: H-Mg-O-Rb-Se
  • Density: 2.6678251964290065
  • Atomic Density: 0.05647564266061334
  • Unit Cell Volume: 867.6306756606964
  • Molar Volume: 10.663253176576776
  • Full Formula: Rb4 Mg1 H12 Se8 O24
  • Reduced Formula: Rb4MgH12(SeO3)8
  • Formula Anonymous: AB4C8D12E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -257.89524453
  • Final energy per atom: -5.263168255714286
  • 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.