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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208085

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-1208085
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['V', 'Co', 'P', 'H', 'N', 'O']
  • Chemical System: Co-H-N-O-P-V
  • Density: 2.7373352501797794
  • Atomic Density: 0.0757370776906964
  • Unit Cell Volume: 475.32861179329956
  • Molar Volume: 7.95137724298513
  • Full Formula: V2 Co4 P4 H6 N2 O18
  • Reduced Formula: VCo2P2H3NO9
  • Formula Anonymous: ABC2D2E3F9
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -243.69870089
  • Final energy per atom: -6.769408358055555
  • 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.