{ "cells": [ { "cell_type": "markdown", "id": "c61d016f-5e80-4f9c-903a-6e75d204ca26", "metadata": {}, "source": [ "# `mammos_spindynamics` quickstart\n", "\n", "`mammos_spindynamics` provides temperature-dependent spontaneous magnetization values.\n", "\n", "- `db` contains pre-computed materials" ] }, { "cell_type": "code", "execution_count": 1, "id": "5ee47c84-328e-4641-ac89-c061dd7fe804", "metadata": {}, "outputs": [], "source": [ "import mammos_spindynamics" ] }, { "cell_type": "markdown", "id": "c877208d-55ae-42f6-b6ec-da3914828127", "metadata": {}, "source": [ "## Querying the database – `mammos_spindynamics.db`\n", "\n", "Use the following function to get a list of all available materials:" ] }, { "cell_type": "code", "execution_count": 2, "id": "0d4da988-2845-4b30-b463-e0387f33ddcb", "metadata": {}, "outputs": [ { "data": { "text/html": [ "
\n", " | chemical_formula | \n", "space_group_name | \n", "space_group_number | \n", "cell_length_a | \n", "cell_length_b | \n", "cell_length_c | \n", "cell_angle_alpha | \n", "cell_angle_beta | \n", "cell_angle_gamma | \n", "cell_volume | \n", "ICSD_label | \n", "OQMD_label | \n", "label | \n", "source | \n", "
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | \n", "Co2Fe2H4 | \n", "P6_3/mmc | \n", "194 | \n", "2.645345 Angstrom | \n", "2.645314 Angstrom | \n", "8.539476 Angstrom | \n", "90.0 deg | \n", "90.0 deg | \n", "120.0 deg | \n", "51.751119 Angstrom3 | \n", "\n", " | \n", " | 0001 | \n", "Uppsala | \n", "
1 | \n", "Y2Ti4Fe18 | \n", "P4/mbm | \n", "127 | \n", "8.186244 Angstrom | \n", "8.186244 Angstrom | \n", "4.892896 Angstrom | \n", "90.0 deg | \n", "90.0 deg | \n", "90.0 deg | \n", "327.8954234 Angstrom3 | \n", "\n", " | \n", " | 0002 | \n", "Uppsala | \n", "
2 | \n", "Nd2Fe14B | \n", "P42/mnm | \n", "136 | \n", "8.78 Angstrom | \n", "8.78 Angstrom | \n", "12.12 Angstrom | \n", "90.0 deg | \n", "90.0 deg | \n", "90.0 deg | \n", "933.42 Angstrom3 | \n", "\n", " | \n", " | 0003 | \n", "https://doi.org/10.1103/PhysRevB.99.214409 | \n", "
3 | \n", "Fe16N2 | \n", "? | \n", "0 | \n", "nan Angstrom | \n", "nan Angstrom | \n", "nan Angstrom | \n", "nan deg | \n", "nan deg | \n", "nan deg | \n", "nan Angstrom3 | \n", "\n", " | \n", " | 0005 | \n", "Uppsala | \n", "
4 | \n", "Ni80Fe20 | \n", "Pm-3m | \n", "221 | \n", "3.55 Angstrom | \n", "3.55 Angstrom | \n", "3.55 Angstrom | \n", "90.0 deg | \n", "90.0 deg | \n", "90.0 deg | \n", "44.738875 Angstrom3 | \n", "\n", " | \n", " | 0006 | \n", "https://doi.org/10.48550/arXiv.1908.08885; spa... | \n", "
\n", " | T | \n", "Ms | \n", "
---|---|---|
0 | \n", "20.0 | \n", "1.160762e+06 | \n", "
1 | \n", "40.0 | \n", "1.152765e+06 | \n", "
2 | \n", "60.0 | \n", "1.144332e+06 | \n", "
3 | \n", "80.0 | \n", "1.136095e+06 | \n", "
4 | \n", "100.0 | \n", "1.128134e+06 | \n", "
... | \n", "... | \n", "... | \n", "
75 | \n", "1520.0 | \n", "7.129165e+03 | \n", "
76 | \n", "1540.0 | \n", "6.674613e+03 | \n", "
77 | \n", "1560.0 | \n", "6.599177e+03 | \n", "
78 | \n", "1580.0 | \n", "6.616132e+03 | \n", "
79 | \n", "1600.0 | \n", "1.248421e+04 | \n", "
80 rows × 2 columns
\n", "