Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1229001

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-1229001
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Sm', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Sm-Sr
  • Density: 6.595315418587569
  • Atomic Density: 0.07295259467107844
  • Unit Cell Volume: 890.9895568905489
  • Molar Volume: 8.254868503515253
  • Full Formula: Ba8 Sr2 Sm5 Cu15 O35
  • Reduced Formula: Ba8Sr2Sm5(Cu3O7)5
  • Formula Anonymous: A2B5C8D15E35
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -418.2498446
  • Final energy per atom: -6.434612993846154
  • 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.