Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1234376

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-1234376
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 6
  • Element list: ['Mg', 'Ti', 'Fe', 'Co', 'P', 'O']
  • Chemical System: Co-Fe-Mg-O-P-Ti
  • Density: 3.2691322150722963
  • Atomic Density: 0.08019150591132035
  • Unit Cell Volume: 461.3955004276437
  • Molar Volume: 7.509699052988947
  • Full Formula: Mg1 Ti3 Fe2 Co1 P6 O24
  • Reduced Formula: MgTi3Fe2Co(PO4)6
  • Formula Anonymous: ABC2D3E6F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -300.4985987399999
  • Final energy per atom: -8.121583749729728
  • 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.