Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1228013

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-1228013
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 75
  • Number of elements: 4
  • Element list: ['Co', 'Cu', 'Mo', 'O']
  • Chemical System: Co-Cu-Mo-O
  • Density: 4.768944953153804
  • Atomic Density: 0.07596243666188303
  • Unit Cell Volume: 987.3300975564155
  • Molar Volume: 7.9277877654256885
  • Full Formula: Co8 Cu7 Mo12 O48
  • Reduced Formula: Co8Cu7(MoO4)12
  • Formula Anonymous: A7B8C12D48
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -574.92589608
  • Final energy per atom: -7.6656786144
  • 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.