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  1. Third-Parties
  2. MatprojStructure
  3. mp-21991

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-21991
  • 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: 64
  • Number of elements: 2
  • Element list: ['Rh', 'S']
  • Chemical System: Rh-S
  • Density: 7.364714708090879
  • Atomic Density: 0.06363267579461236
  • Unit Cell Volume: 1005.7725720441689
  • Molar Volume: 9.463912502183167
  • Full Formula: Rh34 S30
  • Reduced Formula: Rh17S15
  • Formula Anonymous: A15B17
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -416.33826726
  • Final energy per atom: -6.5052854259375
  • 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.