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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209065

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-1209065
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Lu', 'O']
  • Chemical System: Ca-Lu-O-Sr
  • Density: 7.956403648552492
  • Atomic Density: 0.0717372094704811
  • Unit Cell Volume: 864.2655667490408
  • Molar Volume: 8.394724027393385
  • Full Formula: Sr2 Ca6 Lu18 O36
  • Reduced Formula: SrCa3Lu9O18
  • Formula Anonymous: AB3C9D18
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -509.0402592
  • Final energy per atom: -8.210326761290322
  • 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.