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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217404

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-1217404
  • 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: 136
  • Number of elements: 5
  • Element list: ['V', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P-V
  • Density: 2.529072238543053
  • Atomic Density: 0.08855108523363063
  • Unit Cell Volume: 1535.836626295223
  • Molar Volume: 6.80075319699511
  • Full Formula: V12 P16 H32 N8 O68
  • Reduced Formula: V3P4H8N2O17
  • Formula Anonymous: A2B3C4D8E17
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -973.90541131
  • Final energy per atom: -7.161069200808823
  • 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.