Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1235294

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-1235294
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Cu', 'Br', 'O']
  • Chemical System: Br-Cu-Li-O-Sr
  • Density: 3.8693644489257624
  • Atomic Density: 0.045609454692691655
  • Unit Cell Volume: 153.4769500570605
  • Molar Volume: 13.203711380844405
  • Full Formula: Sr2 Li1 Cu1 Br1 O2
  • Reduced Formula: Sr2LiCuBrO2
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -34.137888520000004
  • Final energy per atom: -4.876841217142858
  • 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.