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  1. Third-Parties
  2. MatprojStructure
  3. mp-18043

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-18043
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Sr', 'Y', 'Sc', 'B', 'O']
  • Chemical System: B-O-Sc-Sr-Y
  • Density: 4.013967608872704
  • Atomic Density: 0.07640235625475907
  • Unit Cell Volume: 418.835250228382
  • Molar Volume: 7.882140100391058
  • Full Formula: Sr6 Y1 Sc1 B6 O18
  • Reduced Formula: Sr6YSc(BO3)6
  • Formula Anonymous: ABC6D6E18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -259.00849519
  • Final energy per atom: -8.0940154746875
  • 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.