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  1. Third-Parties
  2. MatprojStructure
  3. mp-555088

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-555088
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Nd', 'S', 'Br']
  • Chemical System: Br-Nd-S
  • Density: 5.16790505418261
  • Atomic Density: 0.03510225881930439
  • Unit Cell Volume: 740.6930743072685
  • Molar Volume: 17.15599212859812
  • Full Formula: Nd8 S6 Br12
  • Reduced Formula: Nd4(SBr2)3
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -143.03780012
  • Final energy per atom: -5.501453850769232
  • 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.