Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218418

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-1218418
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Sr', 'Se', 'Cl', 'O']
  • Chemical System: Cl-O-Se-Sr
  • Density: 3.8332586283005528
  • Atomic Density: 0.051064571524031196
  • Unit Cell Volume: 254.5796353912839
  • Molar Volume: 11.793187684275303
  • Full Formula: Sr3 Se2 Cl2 O6
  • Reduced Formula: Sr3Se2(ClO3)2
  • Formula Anonymous: A2B2C3D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -77.57446336999999
  • Final energy per atom: -5.967266413076922
  • 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.