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  1. Third-Parties
  2. MatprojStructure
  3. mp-735535

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-735535
  • 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: 28
  • Number of elements: 5
  • Element list: ['Ni', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-Ni-O-P
  • Density: 2.6383574090294855
  • Atomic Density: 0.11724730768218529
  • Unit Cell Volume: 238.81145378534228
  • Molar Volume: 5.136272106412737
  • Full Formula: Ni2 P2 H12 N2 O10
  • Reduced Formula: NiPH6NO5
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -170.12818921000002
  • Final energy per atom: -6.076006757500001
  • 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.