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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215801

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-1215801
  • 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: 70
  • Number of elements: 4
  • Element list: ['Zr', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Zr
  • Density: 3.195841130552853
  • Atomic Density: 0.06780665038913983
  • Unit Cell Volume: 1032.3471163709255
  • Molar Volume: 8.881342354236876
  • Full Formula: Zr8 Ni2 P12 O48
  • Reduced Formula: Zr4Ni(PO4)6
  • Formula Anonymous: AB4C6D24
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -598.18319881
  • Final energy per atom: -8.545474268714287
  • 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.