HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10389",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10387",
"results": [
{
"id": "mp-1229283",
"created_at": "2022-09-04T14:41:15.407767Z",
"structure_string": "Ce2 Te1 Mo6 O45\n1.0\n9.323288 0.000000 0.000000\n3.738203 9.356873 0.000000\n1.024906 2.205923 11.053652\nCe Te Mo O\n2 1 6 45\ndirect\n0.247814 0.726410 0.323329 Ce\n0.772248 0.260500 0.697713 Ce\n0.502625 0.994402 0.497151 Te\n0.807293 0.773431 0.362794 Mo\n0.206788 0.223383 0.631243 Mo\n0.599947 0.099304 0.195187 Mo\n0.412688 0.894177 0.799818 Mo\n0.268574 0.318594 0.323246 Mo\n0.737358 0.673177 0.668993 Mo\n0.882267 0.186485 0.380901 O\n0.117855 0.811429 0.629587 O\n0.330604 0.980050 0.597895 O\n0.678406 0.010283 0.402563 O\n0.411913 0.628485 0.136410 O\n0.603585 0.376196 0.881569 O\n0.442434 0.707584 0.400215 O\n0.561679 0.270339 0.615656 O\n0.246481 0.501170 0.343665 O\n0.755786 0.491603 0.648803 O\n0.498325 0.131873 0.065775 O\n0.522181 0.870433 0.923029 O\n0.150502 0.265675 0.457803 O\n0.859871 0.726174 0.537245 O\n0.386400 0.072141 0.342771 O\n0.619580 0.916656 0.653811 O\n0.292088 0.916470 0.146796 O\n0.573163 0.152182 0.808153 O\n0.372634 0.492249 0.950430 O\n0.643701 0.522383 0.061916 O\n0.473490 0.276813 0.256967 O\n0.533723 0.713851 0.740659 O\n0.181546 0.708596 0.577789 O\n0.813905 0.285031 0.436441 O\n0.561365 0.549948 0.154792 O\n0.457295 0.460121 0.859711 O\n0.681855 0.882285 0.228194 O\n0.326049 0.112239 0.767827 O\n0.589888 0.787506 0.476199 O\n0.421185 0.201740 0.521012 O\n0.154886 0.344914 0.203828 O\n0.853606 0.640953 0.788088 O\n0.834144 0.601435 0.344834 O\n0.181175 0.395630 0.647932 O\n0.990608 0.800950 0.314743 O\n0.023535 0.197502 0.679305 O\n0.763875 0.137193 0.148273 O\n0.251890 0.856371 0.858932 O\n0.255004 0.923466 0.371152 O\n0.752247 0.053325 0.651470 O\n0.170494 0.002840 0.078417 O\n0.802633 0.080944 0.846372 O\n0.914273 0.751594 0.978811 O\n0.891967 0.653168 0.052259 O\n0.175271 0.124044 0.022932 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Ce",
"Te",
"Mo",
"O"
],
"chemical_system": "Ce-Mo-O-Te",
"density": 2.9334020477847917,
"density_atomic": 0.056000014227110345,
"volume": 964.2854693036469,
"volume_molar": 10.753820053646704,
"formula_full": "Ce2 Te1 Mo6 O45",
"formula_reduced": "Ce2Te(Mo2O15)3",
"formula_anonymous": "AB2C6D45",
"energy": -341.26682509,
"energy_per_atom": -6.319756020185185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.05482509,
"band_gap": 0.0201,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9847654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.143000Z",
"spacegroup": 1
},
{
"id": "mp-1201322",
"created_at": "2022-09-04T14:44:12.373044Z",
"structure_string": "Ce2 Te1 Mo6 H36 O42\n1.0\n9.380602 0.000000 0.000000\n-3.047224 9.996927 0.000000\n-3.419436 -3.552223 9.793502\nCe Te Mo H O\n2 1 6 36 42\ndirect\n0.026608 0.264381 0.742540 Ce\n0.973392 0.735619 0.257460 Ce\n0.500000 0.500000 0.500000 Te\n0.381768 0.604859 0.744819 Mo\n0.618232 0.395141 0.255181 Mo\n0.450851 0.308444 0.696796 Mo\n0.549149 0.691556 0.303204 Mo\n0.579529 0.204331 0.456107 Mo\n0.420471 0.795669 0.543893 Mo\n0.004711 0.567595 0.808883 H\n0.995289 0.432405 0.191117 H\n0.821550 0.457479 0.723506 H\n0.178450 0.542521 0.276494 H\n0.166251 0.507239 0.017781 H\n0.833749 0.492761 0.982219 H\n0.294484 0.437879 0.054071 H\n0.705516 0.562121 0.945929 H\n0.873734 0.203672 0.959574 H\n0.126266 0.796328 0.040426 H\n0.735417 0.171037 0.817930 H\n0.264583 0.828963 0.182070 H\n0.169595 0.153080 0.989783 H\n0.830405 0.846920 0.010217 H\n0.218359 0.092224 0.867418 H\n0.781641 0.907776 0.132582 H\n0.797716 0.947217 0.558934 H\n0.202284 0.052783 0.441066 H\n0.971773 0.939557 0.590221 H\n0.028227 0.060443 0.409779 H\n0.912857 0.272559 0.436238 H\n0.087143 0.727441 0.563762 H\n0.103771 0.309644 0.490110 H\n0.896228 0.690356 0.509890 H\n0.988509 0.204612 0.154337 H\n0.011491 0.795388 0.845663 H\n0.803726 0.176209 0.132452 H\n0.196274 0.823791 0.867548 H\n0.254616 0.214275 0.233638 H\n0.745384 0.785725 0.766362 H\n0.122918 0.056455 0.165044 H\n0.877082 0.943545 0.834956 H\n0.602179 0.009687 0.207591 H\n0.397821 0.990313 0.792409 H\n0.564373 0.922517 0.057521 H\n0.435627 0.077483 0.942479 H\n0.327679 0.415199 0.553847 O\n0.672321 0.584801 0.446153 O\n0.558060 0.675080 0.651128 O\n0.441940 0.324920 0.348872 O\n0.518100 0.502006 0.815236 O\n0.481900 0.497994 0.184764 O\n0.474655 0.755099 0.890662 O\n0.525345 0.244901 0.109338 O\n0.274600 0.678553 0.607007 O\n0.725400 0.321447 0.392993 O\n0.203028 0.489682 0.748547 O\n0.796972 0.510318 0.251453 O\n0.626488 0.418836 0.615107 O\n0.373512 0.581164 0.384893 O\n0.405890 0.166318 0.522921 O\n0.594110 0.833682 0.477079 O\n0.259434 0.229798 0.704069 O\n0.740566 0.770202 0.295931 O\n0.590693 0.264341 0.808468 O\n0.409307 0.735659 0.191532 O\n0.491328 0.049309 0.315106 O\n0.508672 0.950691 0.684894 O\n0.737575 0.186174 0.582986 O\n0.262425 0.813826 0.417014 O\n0.931415 0.467274 0.784161 O\n0.068585 0.532726 0.215839 O\n0.183737 0.420480 0.987999 O\n0.816263 0.579520 0.012001 O\n0.847421 0.176026 0.859102 O\n0.152579 0.823974 0.140898 O\n0.151079 0.142078 0.893355 O\n0.848921 0.857922 0.106645 O\n0.916557 0.002682 0.611543 O\n0.083443 0.997318 0.388457 O\n0.999672 0.243429 0.483355 O\n0.000328 0.756571 0.516645 O\n0.899450 0.240366 0.125938 O\n0.100550 0.759634 0.874062 O\n0.148497 0.150369 0.155256 O\n0.851503 0.849631 0.844744 O\n0.651924 0.997337 0.140593 O\n0.348076 0.002663 0.859407 O\n",
"nsites": 87,
"nelements": 5,
"elements": [
"Ce",
"Te",
"Mo",
"H",
"O"
],
"chemical_system": "Ce-H-Mo-O-Te",
"density": 3.0587612437674156,
"density_atomic": 0.09472922960085566,
"volume": 918.4071312157506,
"volume_molar": 6.357214964562115,
"formula_full": "Ce2 Te1 Mo6 H36 O42",
"formula_reduced": "Ce2TeMo6(H6O7)6",
"formula_anonymous": "AB2C6D36E42",
"energy": -550.83558687,
"energy_per_atom": -6.33144352724138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -502.76958687,
"band_gap": 0.2182999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9962636,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.085000Z",
"spacegroup": 2
},
{
"id": "mp-505070",
"created_at": "2022-09-04T14:45:12.621351Z",
"structure_string": "Ce2 Ta6 O18\n1.0\n3.849014 6.288112 0.000000\n-3.849014 6.288112 0.000000\n0.000000 0.445334 6.602837\nCe Ta O\n2 6 18\ndirect\n0.263046 0.263046 0.050054 Ce\n0.736954 0.736954 0.949946 Ce\n0.781886 0.283964 0.237489 Ta\n0.716036 0.218114 0.762511 Ta\n0.218114 0.716036 0.762511 Ta\n0.283964 0.781886 0.237489 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.921579 0.492451 0.220058 O\n0.507549 0.078421 0.779942 O\n0.078421 0.507549 0.779942 O\n0.492451 0.921579 0.220058 O\n0.310747 0.872623 0.547308 O\n0.127377 0.689253 0.452692 O\n0.689253 0.127377 0.452692 O\n0.872623 0.310747 0.547308 O\n0.638356 0.179545 0.066762 O\n0.820455 0.361644 0.933238 O\n0.361644 0.820455 0.933238 O\n0.179545 0.638356 0.066762 O\n0.068490 0.068490 0.204540 O\n0.931510 0.931510 0.795460 O\n0.461018 0.461018 0.728529 O\n0.538982 0.538982 0.271471 O\n0.267508 0.267508 0.424686 O\n0.732492 0.732492 0.575314 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ce",
"Ta",
"O"
],
"chemical_system": "Ce-O-Ta",
"density": 8.592711690498653,
"density_atomic": 0.08134727639417123,
"volume": 319.61733880328137,
"volume_molar": 7.4030023215768095,
"formula_full": "Ce2 Ta6 O18",
"formula_reduced": "CeTa3O9",
"formula_anonymous": "AB3C9",
"energy": -262.36575738,
"energy_per_atom": -10.090990668461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.99975738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5274469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.603000Z",
"spacegroup": 12
},
{
"id": "mp-1213884",
"created_at": "2022-09-04T14:43:09.816694Z",
"structure_string": "Ce2 Ta14 O38\n1.0\n3.147134 -5.450997 0.000000\n3.147134 5.450997 0.000000\n0.000000 0.000000 20.183920\nCe Ta O\n2 14 38\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.691169 0.025863 0.155987 Ta\n0.974137 0.665306 0.155987 Ta\n0.691169 0.025863 0.344013 Ta\n0.691169 0.665306 0.655987 Ta\n0.334694 0.308831 0.155987 Ta\n0.974137 0.665306 0.344013 Ta\n0.974137 0.308831 0.655987 Ta\n0.691169 0.665306 0.844013 Ta\n0.334694 0.308831 0.344013 Ta\n0.974137 0.308831 0.844013 Ta\n0.334694 0.025863 0.655987 Ta\n0.334694 0.025863 0.844013 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.747184 0.042782 0.250000 O\n0.957218 0.704403 0.250000 O\n0.747184 0.704403 0.750000 O\n0.295597 0.252816 0.250000 O\n0.957218 0.252816 0.750000 O\n0.295597 0.042782 0.750000 O\n0.088192 0.421198 0.153336 O\n0.578802 0.666994 0.153336 O\n0.088192 0.421198 0.346664 O\n0.088192 0.666994 0.653336 O\n0.333006 0.911808 0.153336 O\n0.578802 0.666994 0.346664 O\n0.578802 0.911808 0.653336 O\n0.088192 0.666994 0.846664 O\n0.333006 0.911808 0.346664 O\n0.578802 0.911808 0.846664 O\n0.333006 0.421198 0.653336 O\n0.333006 0.421198 0.846664 O\n0.666667 0.333333 0.165474 O\n0.666667 0.333333 0.334526 O\n0.666667 0.333333 0.665474 O\n0.666667 0.333333 0.834526 O\n0.000000 0.000000 0.132541 O\n0.000000 0.000000 0.367459 O\n0.000000 0.000000 0.632541 O\n0.000000 0.000000 0.867459 O\n0.710844 0.094952 0.056358 O\n0.905048 0.615891 0.056358 O\n0.710844 0.094952 0.443642 O\n0.710844 0.615891 0.556358 O\n0.384109 0.289156 0.056358 O\n0.905048 0.615891 0.443642 O\n0.905048 0.289156 0.556358 O\n0.710844 0.615891 0.943642 O\n0.384109 0.289156 0.443642 O\n0.905048 0.289156 0.943642 O\n0.384109 0.094952 0.556358 O\n0.384109 0.094952 0.943642 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Ce",
"Ta",
"O"
],
"chemical_system": "Ce-O-Ta",
"density": 8.204202145465377,
"density_atomic": 0.07797709830132973,
"volume": 692.5110215223173,
"volume_molar": 7.722960832331081,
"formula_full": "Ce2 Ta14 O38",
"formula_reduced": "CeTa7O19",
"formula_anonymous": "AB7C19",
"energy": -550.25509525,
"energy_per_atom": -10.189909171296295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -524.14909525,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.916323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.800000Z",
"spacegroup": 188
},
{
"id": "mp-1227158",
"created_at": "2022-09-04T14:45:23.064619Z",
"structure_string": "Ce2 Ta14 O38\n1.0\n3.146235 -5.449439 0.000000\n3.146235 5.449439 0.000000\n0.000000 0.000000 20.149787\nCe Ta O\n2 14 38\ndirect\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.250000 Ce\n0.355619 0.350979 0.405160 Ta\n0.649021 0.004639 0.405160 Ta\n0.995361 0.644381 0.405160 Ta\n0.649021 0.644381 0.094840 Ta\n0.355619 0.004639 0.094840 Ta\n0.995361 0.350979 0.094840 Ta\n0.644381 0.649021 0.905160 Ta\n0.350979 0.995361 0.905160 Ta\n0.004639 0.355619 0.905160 Ta\n0.350979 0.355619 0.594840 Ta\n0.644381 0.995361 0.594840 Ta\n0.004639 0.649021 0.594840 Ta\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.754126 0.749316 0.595607 O\n0.250684 0.004809 0.595607 O\n0.995191 0.245874 0.595607 O\n0.250684 0.245874 0.904393 O\n0.754126 0.004809 0.904393 O\n0.995191 0.749316 0.904393 O\n0.245874 0.250684 0.095607 O\n0.749316 0.995191 0.095607 O\n0.004809 0.754126 0.095607 O\n0.749316 0.754126 0.404393 O\n0.245874 0.995191 0.404393 O\n0.004809 0.250684 0.404393 O\n0.627780 0.575420 0.194614 O\n0.424580 0.052361 0.194614 O\n0.947639 0.372220 0.194614 O\n0.424580 0.372220 0.305386 O\n0.627780 0.052361 0.305386 O\n0.947639 0.575420 0.305386 O\n0.372220 0.424580 0.694614 O\n0.575420 0.947639 0.694614 O\n0.052361 0.627780 0.694614 O\n0.575420 0.627780 0.805386 O\n0.372220 0.947639 0.805386 O\n0.052361 0.424580 0.805386 O\n0.666667 0.333333 0.615626 O\n0.333333 0.666667 0.591720 O\n0.333333 0.666667 0.908280 O\n0.666667 0.333333 0.884374 O\n0.333333 0.666667 0.115626 O\n0.666667 0.333333 0.091720 O\n0.666667 0.333333 0.408280 O\n0.333333 0.666667 0.384374 O\n0.396403 0.396403 0.500000 O\n0.603597 0.000000 0.500000 O\n0.000000 0.603597 0.500000 O\n0.603597 0.603597 0.000000 O\n0.396403 0.000000 0.000000 O\n0.000000 0.396403 0.000000 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Ce",
"Ta",
"O"
],
"chemical_system": "Ce-O-Ta",
"density": 8.222798223418918,
"density_atomic": 0.07815384531132435,
"volume": 690.944889338356,
"volume_molar": 7.705495149996672,
"formula_full": "Ce2 Ta14 O38",
"formula_reduced": "CeTa7O19",
"formula_anonymous": "AB7C19",
"energy": -549.55268784,
"energy_per_atom": -10.176901626666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -523.44668784,
"band_gap": 0.1665000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9419911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.147000Z",
"spacegroup": 182
},
{
"id": "mp-1104512",
"created_at": "2022-09-04T14:47:17.561063Z",
"structure_string": "Ce2 Sn8 Pd4\n1.0\n3.187576 -8.341012 0.000000\n3.187576 8.341012 0.000000\n0.000000 0.000000 6.118744\nCe Sn Pd\n2 8 4\ndirect\n0.227593 0.227593 0.750000 Ce\n0.772407 0.772407 0.250000 Ce\n0.550807 0.149099 0.750000 Sn\n0.850901 0.449193 0.250000 Sn\n0.449193 0.850901 0.250000 Sn\n0.149099 0.550807 0.750000 Sn\n0.631468 0.803393 0.750000 Sn\n0.196607 0.368532 0.250000 Sn\n0.368532 0.196607 0.250000 Sn\n0.803393 0.631468 0.750000 Sn\n0.169550 0.830450 0.000000 Pd\n0.169550 0.830450 0.500000 Pd\n0.830450 0.169550 0.000000 Pd\n0.830450 0.169550 0.500000 Pd\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Pd"
],
"chemical_system": "Ce-Pd-Sn",
"density": 8.449496753608438,
"density_atomic": 0.04302852535320809,
"volume": 325.3655542475196,
"volume_molar": 13.995694043814137,
"formula_full": "Ce2 Sn8 Pd4",
"formula_reduced": "Ce(Sn2Pd)2",
"formula_anonymous": "AB2C4",
"energy": -72.541752,
"energy_per_atom": -5.181553714285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.541752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9420504,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.691000Z",
"spacegroup": 63
},
{
"id": "mp-1079827",
"created_at": "2022-09-04T14:45:14.612917Z",
"structure_string": "Ce2 Sn4 Rh4\n1.0\n4.516954 0.000000 0.000000\n0.000000 4.516954 0.000000\n0.000000 0.000000 10.712187\nCe Sn Rh\n2 4 4\ndirect\n0.000000 0.500000 0.247032 Ce\n0.500000 0.000000 0.752968 Ce\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.872153 Sn\n0.500000 0.000000 0.127847 Sn\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.632350 Rh\n0.500000 0.000000 0.367650 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Rh"
],
"chemical_system": "Ce-Rh-Sn",
"density": 8.864139472898552,
"density_atomic": 0.04575415288028794,
"volume": 218.5593956064315,
"volume_molar": 13.161954447624561,
"formula_full": "Ce2 Sn4 Rh4",
"formula_reduced": "Ce(SnRh)2",
"formula_anonymous": "AB2C2",
"energy": -64.08773091,
"energy_per_atom": -6.4087730910000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.08773091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8064796,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.014000Z",
"spacegroup": 129
},
{
"id": "mp-672267",
"created_at": "2022-09-04T14:45:27.052528Z",
"structure_string": "Ce2 Sn4 Pt4\n1.0\n4.630607 0.000000 0.000000\n0.000000 4.630607 0.000000\n0.000000 0.000000 10.586392\nCe Sn Pt\n2 4 4\ndirect\n0.000000 0.500000 0.243724 Ce\n0.500000 0.000000 0.756276 Ce\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.874417 Sn\n0.500000 0.000000 0.125583 Sn\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.630071 Pt\n0.500000 0.000000 0.369929 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Pt"
],
"chemical_system": "Ce-Pt-Sn",
"density": 11.23179265031427,
"density_atomic": 0.04405307016161225,
"volume": 226.99893476922702,
"volume_molar": 13.670195375503434,
"formula_full": "Ce2 Sn4 Pt4",
"formula_reduced": "Ce(SnPt)2",
"formula_anonymous": "AB2C2",
"energy": -60.08293628,
"energy_per_atom": -6.008293628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.08293628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8530139,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.074000Z",
"spacegroup": 129
},
{
"id": "mp-1080026",
"created_at": "2022-09-04T14:41:22.895323Z",
"structure_string": "Ce2 Sn4 Pd4\n1.0\n4.618731 0.000000 0.000000\n0.000000 4.618731 0.000000\n0.000000 0.000000 10.563006\nCe Sn Pd\n2 4 4\ndirect\n0.000000 0.500000 0.243319 Ce\n0.500000 0.000000 0.756681 Ce\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.873769 Sn\n0.500000 0.000000 0.126231 Sn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.627900 Pd\n0.500000 0.000000 0.372100 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Pd"
],
"chemical_system": "Ce-Pd-Sn",
"density": 8.701115277341303,
"density_atomic": 0.04437793964121497,
"volume": 225.33718511601955,
"volume_molar": 13.570122472308466,
"formula_full": "Ce2 Sn4 Pd4",
"formula_reduced": "Ce(SnPd)2",
"formula_anonymous": "AB2C2",
"energy": -55.84014916,
"energy_per_atom": -5.584014916,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.84014916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6923394,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.138000Z",
"spacegroup": 129
},
{
"id": "mp-21358",
"created_at": "2022-09-04T14:41:23.741387Z",
"structure_string": "Ce2 Sn4 Ir4\n1.0\n4.431231 0.000000 0.000000\n0.000000 4.431231 0.000000\n0.000000 0.000000 10.997615\nCe Sn Ir\n2 4 4\ndirect\n0.000000 0.500000 0.753857 Ce\n0.500000 0.000000 0.246143 Ce\n0.000000 0.500000 0.130753 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.869247 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.365815 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.634185 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Ir"
],
"chemical_system": "Ce-Ir-Sn",
"density": 11.71843655765371,
"density_atomic": 0.04630764627328372,
"volume": 215.9470585264728,
"volume_molar": 13.004635831543775,
"formula_full": "Ce2 Sn4 Ir4",
"formula_reduced": "Ce(SnIr)2",
"formula_anonymous": "AB2C2",
"energy": -68.62620248,
"energy_per_atom": -6.862620248000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.62620248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5759861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.949000Z",
"spacegroup": 129
},
{
"id": "mp-1071985",
"created_at": "2022-09-04T14:47:16.510334Z",
"structure_string": "Ce2 Sn2 Au2\n1.0\n2.396637 -4.151097 0.000000\n2.396637 4.151097 0.000000\n0.000000 0.000000 7.640678\nCe Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Au"
],
"chemical_system": "Au-Ce-Sn",
"density": 9.956788879933528,
"density_atomic": 0.039466100317193026,
"volume": 152.02920865698397,
"volume_molar": 15.259021569396136,
"formula_full": "Ce2 Sn2 Au2",
"formula_reduced": "CeSnAu",
"formula_anonymous": "ABC",
"energy": -30.58409178,
"energy_per_atom": -5.09734863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.58409178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0075132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.297000Z",
"spacegroup": 194
},
{
"id": "mp-11081",
"created_at": "2022-09-04T14:44:00.195915Z",
"structure_string": "Ce2 Sn2 Au2\n1.0\n2.403960 -4.163781 0.000000\n2.403960 4.163781 0.000000\n0.000000 0.000000 7.618987\nCe Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.528747 Ce\n0.000000 0.000000 0.028747 Ce\n0.333333 0.666667 0.302324 Sn\n0.666667 0.333333 0.802324 Sn\n0.666667 0.333333 0.213589 Au\n0.333333 0.666667 0.713589 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Au"
],
"chemical_system": "Au-Ce-Sn",
"density": 9.924393808765613,
"density_atomic": 0.03933769474950321,
"volume": 152.5254603302796,
"volume_molar": 15.308829859879,
"formula_full": "Ce2 Sn2 Au2",
"formula_reduced": "CeSnAu",
"formula_anonymous": "ABC",
"energy": -30.874997019999995,
"energy_per_atom": -5.145832836666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.874997019999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.376000Z",
"spacegroup": 186
}
]
}