Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202935

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-1202935
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 6
  • Element list: ['Co', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O-P
  • Density: 2.0062230168994946
  • Atomic Density: 0.10705129755868287
  • Unit Cell Volume: 1046.2273933541476
  • Molar Volume: 5.625471990845147
  • Full Formula: Co4 P8 H52 C8 N4 O36
  • Reduced Formula: CoP2H13C2NO9
  • Formula Anonymous: ABC2D2E9F13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -672.91250943
  • Final energy per atom: -6.008147405625
  • 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.