Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-780115

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-780115
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'Co', 'P', 'O']
  • Chemical System: Co-Cr-Li-O-P
  • Density: 2.9531144805250302
  • Atomic Density: 0.08749727973013026
  • Unit Cell Volume: 468.5859963470542
  • Molar Volume: 6.882660556504406
  • Full Formula: Li7 Cr3 Co1 P6 O24
  • Reduced Formula: Li7Cr3Co(PO4)6
  • Formula Anonymous: AB3C6D7E24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -305.51720507
  • Final energy per atom: -7.4516391480487805
  • 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.