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  1. Third-Parties
  2. MatprojStructure
  3. mp-569349

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-569349
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Rb', 'Hg', 'P', 'Se']
  • Chemical System: Hg-P-Rb-Se
  • Density: 4.399613105885109
  • Atomic Density: 0.02990793874497462
  • Unit Cell Volume: 2407.3875707030475
  • Molar Volume: 20.135592798122502
  • Full Formula: Rb16 Hg8 P8 Se40
  • Reduced Formula: Rb2HgPSe5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -263.0196191
  • Final energy per atom: -3.653050265277778
  • 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.