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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208932

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-1208932
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Yb', 'O']
  • Chemical System: Ca-O-Sr-Yb
  • Density: 7.416671290149548
  • Atomic Density: 0.06743567287233715
  • Unit Cell Volume: 919.3946965928931
  • Molar Volume: 8.930200446580475
  • Full Formula: Sr2 Ca6 Yb18 O36
  • Reduced Formula: SrCa3Yb9O18
  • Formula Anonymous: AB3C9D18
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -399.48705753
  • Final energy per atom: -6.443339637580645
  • 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.