Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-780775

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-780775
  • 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: 58
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Cu', 'P', 'O']
  • Chemical System: Cu-Li-O-P-Sr
  • Density: 3.7642459178620413
  • Atomic Density: 0.07695981997939444
  • Unit Cell Volume: 753.6400165115923
  • Molar Volume: 7.82504527896816
  • Full Formula: Sr6 Li6 Cu6 P8 O32
  • Reduced Formula: Sr3Li3Cu3(PO4)4
  • Formula Anonymous: A3B3C3D4E16
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -398.78862726
  • Final energy per atom: -6.875665987241379
  • 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.