Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-766547

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-766547
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Li', 'Co', 'Ni', 'P', 'C', 'O']
  • Chemical System: C-Co-Li-Ni-O-P
  • Density: 2.929863196903789
  • Atomic Density: 0.0977898814604794
  • Unit Cell Volume: 531.7523574360316
  • Molar Volume: 6.158245280656951
  • Full Formula: Li12 Co1 Ni3 P4 C4 O28
  • Reduced Formula: Li12CoNi3P4(CO7)4
  • Formula Anonymous: AB3C4D4E12F28
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -363.88090294
  • Final energy per atom: -6.997709671923077
  • 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.