Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-728736

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-728736
  • 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: 132
  • Number of elements: 5
  • Element list: ['Mn', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-Mn-O-P
  • Density: 1.614335065705261
  • Atomic Density: 0.07323867478816586
  • Unit Cell Volume: 1802.3264399826223
  • Molar Volume: 8.222623876549275
  • Full Formula: Mn8 P4 H36 C48 O36
  • Reduced Formula: Mn2PH9(C4O3)3
  • Formula Anonymous: AB2C9D9E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -910.87870744
  • Final energy per atom: -6.900596268484848
  • 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.