Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1046566

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-1046566
  • 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: 26
  • Number of elements: 5
  • Element list: ['Sr', 'Al', 'Cr', 'Ga', 'O']
  • Chemical System: Al-Cr-Ga-O-Sr
  • Density: 4.557981238960647
  • Atomic Density: 0.07313192536393329
  • Unit Cell Volume: 355.52188555974357
  • Molar Volume: 8.234626300389952
  • Full Formula: Sr4 Al2 Cr4 Ga2 O14
  • Reduced Formula: Sr2AlCr2GaO7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -195.51381841
  • Final energy per atom: -7.519762246538462
  • 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.