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  1. Third-Parties
  2. MatprojStructure
  3. mp-570000

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-570000
  • 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: 28
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'Br']
  • Chemical System: Br-K-Mo
  • Density: 3.6608203153020455
  • Atomic Density: 0.030014624313336718
  • Unit Cell Volume: 932.878576379797
  • Molar Volume: 20.064021781955528
  • Full Formula: K6 Mo4 Br18
  • Reduced Formula: K3Mo2Br9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -119.44104756000002
  • Final energy per atom: -4.265751698571429
  • 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.