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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219646

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-1219646
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 3
  • Element list: ['Sc', 'Ru', 'Br']
  • Chemical System: Br-Ru-Sc
  • Density: 4.093995460608273
  • Atomic Density: 0.03596893105522352
  • Unit Cell Volume: 1417.890343243704
  • Molar Volume: 16.742618096584902
  • Full Formula: Sc19 Ru4 Br28
  • Reduced Formula: Sc19(RuBr7)4
  • Formula Anonymous: A4B19C28
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -290.66551557
  • Final energy per atom: -5.699323834705883
  • 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.