Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1147555

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-1147555
  • 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: 6
  • Number of elements: 4
  • Element list: ['Sr', 'Cu', 'Pt', 'O']
  • Chemical System: Cu-O-Pt-Sr
  • Density: 7.1719042537267805
  • Atomic Density: 0.05562538244429896
  • Unit Cell Volume: 107.86442692790762
  • Molar Volume: 10.8262460326099
  • Full Formula: Sr2 Cu1 Pt1 O2
  • Reduced Formula: Sr2CuPtO2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -33.14832406
  • Final energy per atom: -5.524720676666667
  • 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.