Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1044127

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-1044127
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Zn', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Zn
  • Density: 4.248403995173053
  • Atomic Density: 0.09481885666091895
  • Unit Cell Volume: 316.3927625417673
  • Molar Volume: 6.35120583823926
  • Full Formula: Zn2 Ni4 P4 O20
  • Reduced Formula: ZnNi2(PO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -196.04036023
  • Final energy per atom: -6.534678674333334
  • 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.