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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211010

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-1211010
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ni', 'P', 'N', 'O']
  • Chemical System: N-Ni-O-P
  • Density: 2.031217092068168
  • Atomic Density: 0.060310565346084845
  • Unit Cell Volume: 431.10191142799215
  • Molar Volume: 9.985216894324697
  • Full Formula: Ni2 P2 N2 O20
  • Reduced Formula: NiPNO10
  • Formula Anonymous: ABCD10
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -146.28697805
  • Final energy per atom: -5.626422232692307
  • 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.