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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233779

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-1233779
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'O']
  • Chemical System: Ca-O-Sr
  • Density: 2.81869939606162
  • Atomic Density: 0.06251223093916045
  • Unit Cell Volume: 239.95304238299602
  • Molar Volume: 9.633539980137652
  • Full Formula: Sr2 Ca1 O12
  • Reduced Formula: Sr2CaO12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -82.67380603000001
  • Final energy per atom: -5.5115870686666675
  • 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.