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=-total_magnetization&page=86",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=84",
"results": [
{
"id": "mp-1212818",
"created_at": "2022-09-04T14:48:23.456787Z",
"structure_string": "Eu10 P6 O26\n1.0\n4.873725 -8.441539 0.000000\n4.873725 8.441539 0.000000\n0.000000 0.000000 7.289096\nEu P O\n10 6 26\ndirect\n0.333333 0.666667 0.000595 Eu\n0.666667 0.333333 0.999405 Eu\n0.666667 0.333333 0.500595 Eu\n0.333333 0.666667 0.499405 Eu\n0.764754 0.774593 0.750000 Eu\n0.235246 0.225407 0.250000 Eu\n0.009839 0.235246 0.750000 Eu\n0.990161 0.764754 0.250000 Eu\n0.225407 0.990161 0.750000 Eu\n0.774593 0.009839 0.250000 Eu\n0.968991 0.599482 0.750000 P\n0.031009 0.400518 0.250000 P\n0.630492 0.031009 0.750000 P\n0.369508 0.968991 0.250000 P\n0.400518 0.369508 0.750000 P\n0.599482 0.630492 0.250000 P\n0.519739 0.848252 0.750000 O\n0.480261 0.151748 0.250000 O\n0.328513 0.480261 0.750000 O\n0.671487 0.519739 0.250000 O\n0.151748 0.671487 0.750000 O\n0.848252 0.328513 0.250000 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.880412 0.415005 0.750000 O\n0.119588 0.584995 0.250000 O\n0.534593 0.119588 0.750000 O\n0.465407 0.880412 0.250000 O\n0.584995 0.465407 0.750000 O\n0.415005 0.534593 0.250000 O\n0.915556 0.654011 0.923198 O\n0.084444 0.345989 0.076802 O\n0.738455 0.084444 0.923198 O\n0.084444 0.345989 0.423198 O\n0.261545 0.915556 0.076802 O\n0.915556 0.654011 0.576802 O\n0.345989 0.261545 0.923198 O\n0.261545 0.915556 0.423198 O\n0.654011 0.738455 0.076802 O\n0.738455 0.084444 0.576802 O\n0.654011 0.738455 0.423198 O\n0.345989 0.261545 0.576802 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Eu",
"P",
"O"
],
"chemical_system": "Eu-O-P",
"density": 5.873528154310496,
"density_atomic": 0.07002658909378404,
"volume": 599.7721800179493,
"volume_molar": 8.599791647619405,
"formula_full": "Eu10 P6 O26",
"formula_reduced": "Eu5P3O13",
"formula_anonymous": "A3B5C13",
"energy": -403.92436932,
"energy_per_atom": -9.617246888571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.06236932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 68.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.655000Z",
"spacegroup": 176
},
{
"id": "mp-759241",
"created_at": "2022-09-04T14:41:00.534245Z",
"structure_string": "Li8 Fe14 O24\n1.0\n9.016413 0.000000 0.000000\n0.000000 5.185408 0.000000\n0.000000 1.837131 9.666335\nLi Fe O\n8 14 24\ndirect\n0.916258 0.004282 0.744428 Li\n0.920182 0.491802 0.258283 Li\n0.582369 0.757315 0.503158 Li\n0.583375 0.496724 0.255566 Li\n0.416258 0.995718 0.255572 Li\n0.420182 0.508198 0.741717 Li\n0.082369 0.242685 0.496842 Li\n0.083375 0.503276 0.744434 Li\n0.920527 0.252808 0.004067 Fe\n0.747733 0.238542 0.507325 Fe\n0.923656 0.748930 0.495648 Fe\n0.751459 0.989089 0.257146 Fe\n0.747007 0.755002 0.992392 Fe\n0.578299 0.242155 0.996746 Fe\n0.741794 0.513314 0.741502 Fe\n0.423656 0.251070 0.504352 Fe\n0.247007 0.244998 0.007608 Fe\n0.420527 0.747192 0.995933 Fe\n0.251459 0.010911 0.742854 Fe\n0.247733 0.761458 0.492675 Fe\n0.241794 0.486686 0.258498 Fe\n0.078299 0.757845 0.003254 Fe\n0.897700 0.114542 0.381658 O\n0.910632 0.888400 0.115505 O\n0.766731 0.864854 0.621063 O\n0.756293 0.155953 0.881771 O\n0.901734 0.387900 0.623230 O\n0.919767 0.612216 0.879503 O\n0.590955 0.128603 0.382050 O\n0.760211 0.633538 0.372763 O\n0.581379 0.883199 0.121981 O\n0.748788 0.350662 0.121972 O\n0.580516 0.601098 0.879256 O\n0.590587 0.389149 0.614939 O\n0.397700 0.885458 0.618342 O\n0.410632 0.111600 0.884495 O\n0.266731 0.135146 0.378937 O\n0.401734 0.612100 0.376770 O\n0.256293 0.844047 0.118229 O\n0.419767 0.387784 0.120497 O\n0.260211 0.366462 0.627237 O\n0.248788 0.649338 0.878028 O\n0.081379 0.116801 0.878019 O\n0.090955 0.871397 0.617950 O\n0.090587 0.610851 0.385061 O\n0.080516 0.398902 0.120744 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.48754055515935,
"density_atomic": 0.10178394035396711,
"volume": 451.93770097747165,
"volume_molar": 5.9165922826894,
"formula_full": "Li8 Fe14 O24",
"formula_reduced": "Li4Fe7O12",
"formula_anonymous": "A4B7C12",
"energy": -335.54198668,
"energy_per_atom": -7.294391014782608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -287.46998668,
"band_gap": 1.2685999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 68.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.845000Z",
"spacegroup": 4
},
{
"id": "mp-1222550",
"created_at": "2022-09-04T14:46:29.201109Z",
"structure_string": "Mg4 Fe14 O24\n1.0\n4.263656 4.280437 0.000000\n-4.263656 4.280437 0.000000\n0.000000 4.236406 12.826246\nMg Fe O\n4 14 24\ndirect\n0.166842 0.666251 0.666248 Mg\n0.833158 0.333749 0.333752 Mg\n0.666251 0.166842 0.166248 Mg\n0.333749 0.833158 0.833752 Mg\n0.628434 0.371566 0.750000 Fe\n0.298650 0.037780 0.415264 Fe\n0.962220 0.701350 0.084736 Fe\n0.371566 0.628434 0.250000 Fe\n0.037780 0.298650 0.915264 Fe\n0.701350 0.962220 0.584736 Fe\n0.500000 0.000000 0.000000 Fe\n0.167921 0.164935 0.666831 Fe\n0.832079 0.835065 0.333169 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.164935 0.167921 0.166831 Fe\n0.835065 0.832079 0.833169 Fe\n0.254203 0.254806 0.505272 O\n0.918846 0.926093 0.171807 O\n0.584715 0.592708 0.839046 O\n0.259400 0.737848 0.503019 O\n0.919498 0.398246 0.170690 O\n0.587533 0.066648 0.833727 O\n0.407292 0.415285 0.660954 O\n0.073907 0.081154 0.328193 O\n0.745194 0.745797 0.994728 O\n0.933352 0.412467 0.666273 O\n0.601754 0.080502 0.329310 O\n0.262152 0.740600 0.996981 O\n0.745797 0.745194 0.494728 O\n0.415285 0.407292 0.160954 O\n0.081154 0.073907 0.828193 O\n0.740600 0.262152 0.496981 O\n0.412467 0.933352 0.166273 O\n0.080502 0.601754 0.829310 O\n0.592708 0.584715 0.339046 O\n0.254806 0.254203 0.005272 O\n0.926093 0.918846 0.671807 O\n0.066648 0.587533 0.333727 O\n0.737848 0.259400 0.003019 O\n0.398246 0.919498 0.670690 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.479864323842769,
"density_atomic": 0.08971177765968547,
"volume": 468.16595430004384,
"volume_molar": 6.712764942463312,
"formula_full": "Mg4 Fe14 O24",
"formula_reduced": "Mg2Fe7O12",
"formula_anonymous": "A2B7C12",
"energy": -323.58189077000003,
"energy_per_atom": -7.704330732619049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.50989077,
"band_gap": 1.064,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.9997973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.077000Z",
"spacegroup": 15
},
{
"id": "mp-757367",
"created_at": "2022-09-04T14:42:56.492052Z",
"structure_string": "Fe14 P8 O40\n1.0\n15.213721 0.000000 0.000000\n0.000000 7.369206 0.000000\n0.000000 3.484689 6.536452\nFe P O\n14 8 40\ndirect\n0.500000 0.500000 0.500000 Fe\n0.387030 0.719251 0.770964 Fe\n0.373223 0.239385 0.752780 Fe\n0.251227 0.988382 0.514506 Fe\n0.112970 0.719251 0.270964 Fe\n0.248773 0.988382 0.014506 Fe\n0.873223 0.760615 0.747220 Fe\n0.126777 0.239385 0.252780 Fe\n0.000000 0.500000 0.000000 Fe\n0.887030 0.280749 0.729036 Fe\n0.748773 0.011618 0.485494 Fe\n0.626777 0.760615 0.247220 Fe\n0.751227 0.011618 0.985494 Fe\n0.612970 0.280749 0.229036 Fe\n0.437396 0.998308 0.257502 P\n0.189416 0.494215 0.747158 P\n0.310584 0.494215 0.247158 P\n0.062604 0.998308 0.757502 P\n0.689416 0.505785 0.752842 P\n0.937396 0.001692 0.242498 P\n0.810584 0.505785 0.252842 P\n0.562604 0.001692 0.742498 P\n0.496449 0.808456 0.300256 O\n0.428018 0.496558 0.721815 O\n0.376116 0.932865 0.446070 O\n0.365299 0.545647 0.058528 O\n0.250233 0.678544 0.710471 O\n0.495959 0.179974 0.215760 O\n0.123884 0.932865 0.946070 O\n0.134701 0.545647 0.558528 O\n0.376875 0.051053 0.068770 O\n0.315213 0.990297 0.758723 O\n0.250136 0.302995 0.808100 O\n0.249767 0.678544 0.210471 O\n0.373071 0.431283 0.432827 O\n0.126929 0.431283 0.932827 O\n0.249864 0.302995 0.308100 O\n0.003551 0.808456 0.800256 O\n0.123125 0.051053 0.568770 O\n0.184787 0.990297 0.258723 O\n0.928018 0.503442 0.778185 O\n0.071982 0.496558 0.221815 O\n0.004041 0.179974 0.715760 O\n0.995959 0.820026 0.284240 O\n0.876875 0.948947 0.431230 O\n0.996449 0.191544 0.199744 O\n0.750136 0.697005 0.691900 O\n0.873071 0.568717 0.067173 O\n0.876116 0.067135 0.053930 O\n0.626929 0.568717 0.567173 O\n0.750233 0.321456 0.789529 O\n0.865299 0.454353 0.441472 O\n0.815213 0.009703 0.741277 O\n0.623125 0.948947 0.931230 O\n0.749864 0.697005 0.191900 O\n0.634701 0.454353 0.941472 O\n0.504041 0.820026 0.784240 O\n0.749767 0.321456 0.289529 O\n0.623884 0.067135 0.553930 O\n0.503551 0.191544 0.699744 O\n0.571982 0.503442 0.278185 O\n0.684787 0.009703 0.241277 O\n",
"nsites": 62,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.7832260992809537,
"density_atomic": 0.08460450104503826,
"volume": 732.8215311735601,
"volume_molar": 7.117990988203075,
"formula_full": "Fe14 P8 O40",
"formula_reduced": "Fe7(PO5)4",
"formula_anonymous": "A4B7C20",
"energy": -492.60954807,
"energy_per_atom": -7.945315291451613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -433.54554807,
"band_gap": 0.0236,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.9991546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.563000Z",
"spacegroup": 14
},
{
"id": "mp-705588",
"created_at": "2022-09-04T14:46:20.336782Z",
"structure_string": "Fe16 O18\n1.0\n6.191227 0.000000 0.000000\n-1.622244 6.640194 0.000000\n-0.047036 -2.150034 9.009356\nFe O\n16 18\ndirect\n0.503480 0.993528 0.997925 Fe\n0.833452 0.327800 0.890326 Fe\n0.166154 0.669333 0.777605 Fe\n0.493885 0.007683 0.663645 Fe\n0.328278 0.328700 0.887979 Fe\n0.658561 0.656027 0.447060 Fe\n0.661843 0.662406 0.774658 Fe\n0.840354 0.337525 0.557383 Fe\n0.000378 0.000084 0.671289 Fe\n0.171871 0.657294 0.445498 Fe\n0.498110 0.004290 0.339405 Fe\n0.838418 0.329911 0.218162 Fe\n0.007418 0.003932 0.335418 Fe\n0.158878 0.680833 0.108268 Fe\n0.327458 0.331474 0.217899 Fe\n0.674573 0.676004 0.109407 Fe\n0.893393 0.640260 0.938468 O\n0.269444 0.001304 0.818860 O\n0.412905 0.657802 0.943179 O\n0.597440 0.320047 0.732576 O\n0.735030 0.011190 0.823740 O\n0.917220 0.666044 0.608686 O\n0.059434 0.334462 0.737446 O\n0.254718 0.978838 0.494078 O\n0.433053 0.695655 0.616752 O\n0.598855 0.325376 0.370825 O\n0.732380 0.001535 0.499738 O\n0.911566 0.656922 0.280825 O\n0.067172 0.335497 0.372066 O\n0.277757 0.999323 0.178840 O\n0.427657 0.680195 0.276927 O\n0.600961 0.328656 0.057152 O\n0.740018 0.011894 0.189038 O\n0.074552 0.354843 0.063319 O\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.297060844147451,
"density_atomic": 0.0917968277333755,
"volume": 370.3831694353669,
"volume_molar": 6.560292886690321,
"formula_full": "Fe16 O18",
"formula_reduced": "Fe8O9",
"formula_anonymous": "A8B9",
"energy": -275.5602855899999,
"energy_per_atom": -8.104714282058822,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.09828559,
"band_gap": 0.9057,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.9989394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.249000Z",
"spacegroup": 1
},
{
"id": "mp-1202464",
"created_at": "2022-09-04T14:46:20.613464Z",
"structure_string": "Eu10 V6 S12 O14\n1.0\n3.734962 0.000000 0.000000\n0.000000 10.213113 0.000000\n0.000000 0.000000 18.007329\nEu V S O\n10 6 12 14\ndirect\n0.500000 0.469866 0.887632 Eu\n0.500000 0.469866 0.112368 Eu\n0.000000 0.530134 0.612368 Eu\n0.000000 0.530134 0.387632 Eu\n0.000000 0.722933 0.000000 Eu\n0.500000 0.277067 0.500000 Eu\n0.000000 0.087882 0.836743 Eu\n0.000000 0.087882 0.163257 Eu\n0.500000 0.912118 0.663257 Eu\n0.500000 0.912118 0.336743 Eu\n0.000000 0.746761 0.806222 V\n0.000000 0.746761 0.193778 V\n0.500000 0.253239 0.693778 V\n0.500000 0.253239 0.306222 V\n0.500000 0.184698 0.000000 V\n0.000000 0.815302 0.500000 V\n0.000000 0.357306 0.000000 S\n0.500000 0.642694 0.500000 S\n0.500000 0.648225 0.735213 S\n0.500000 0.648225 0.264787 S\n0.000000 0.351775 0.764787 S\n0.000000 0.351775 0.235213 S\n0.000000 0.032799 0.000000 S\n0.500000 0.967201 0.500000 S\n0.500000 0.853026 0.882129 S\n0.500000 0.853026 0.117871 S\n0.000000 0.146974 0.617871 S\n0.000000 0.146974 0.382129 S\n0.500000 0.592766 0.000000 O\n0.000000 0.407234 0.500000 O\n0.000000 0.612468 0.875561 O\n0.000000 0.612468 0.124439 O\n0.500000 0.387532 0.624439 O\n0.500000 0.387532 0.375561 O\n0.000000 0.894001 0.749673 O\n0.000000 0.894001 0.250327 O\n0.500000 0.105999 0.750327 O\n0.500000 0.105999 0.249673 O\n0.500000 0.206519 0.898887 O\n0.500000 0.206519 0.101113 O\n0.000000 0.793481 0.601113 O\n0.000000 0.793481 0.398887 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Eu",
"V",
"S",
"O"
],
"chemical_system": "Eu-O-S-V",
"density": 5.88419233517856,
"density_atomic": 0.061144256210029176,
"volume": 686.9001702421716,
"volume_molar": 9.849070269681716,
"formula_full": "Eu10 V6 S12 O14",
"formula_reduced": "Eu5V3S6O7",
"formula_anonymous": "A3B5C6D7",
"energy": -375.22768998,
"energy_per_atom": -8.933992618571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.37368998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.9970778,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.648000Z",
"spacegroup": 59
},
{
"id": "mp-1188090",
"created_at": "2022-09-04T14:41:17.701635Z",
"structure_string": "Eu10 Sn6 H2\n1.0\n-4.197136 4.197136 7.616580\n4.197136 -4.197136 7.616580\n4.197136 4.197136 -7.616580\nEu Sn H\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Eu\n0.513575 0.013575 0.829647 Eu\n0.183928 0.683928 0.170353 Eu\n0.013575 0.183928 0.500000 Eu\n0.683928 0.513575 0.500000 Eu\n0.486425 0.986425 0.170353 Eu\n0.816072 0.316072 0.829647 Eu\n0.986425 0.816072 0.500000 Eu\n0.316072 0.486425 0.500000 Eu\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n0.875884 0.375884 0.251768 Sn\n0.124116 0.624116 0.748232 Sn\n0.375884 0.124116 0.500000 Sn\n0.624116 0.875884 0.500000 Sn\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Eu",
"Sn",
"H"
],
"chemical_system": "Eu-H-Sn",
"density": 6.9117787817596925,
"density_atomic": 0.03353871522334154,
"volume": 536.693188159836,
"volume_molar": 17.95578846684277,
"formula_full": "Eu10 Sn6 H2",
"formula_reduced": "Eu5Sn3H",
"formula_anonymous": "AB3C5",
"energy": -145.7888332,
"energy_per_atom": -8.099379622222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.4308332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.994807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.804000Z",
"spacegroup": 140
},
{
"id": "mp-773804",
"created_at": "2022-09-04T14:47:20.680369Z",
"structure_string": "Li8 Mn4 Fe12 O32\n1.0\n8.419945 0.000000 0.000000\n0.000000 8.419945 0.000000\n0.000000 0.000000 8.419945\nLi Mn Fe O\n8 4 12 32\ndirect\n0.501444 0.501444 0.501444 Li\n0.748556 0.748556 0.748556 Li\n0.751444 0.251444 0.248556 Li\n0.998556 0.498556 0.001444 Li\n0.001444 0.998556 0.498556 Li\n0.248556 0.751444 0.251444 Li\n0.251444 0.248556 0.751444 Li\n0.498556 0.001444 0.998556 Li\n0.625000 0.375000 0.875000 Mn\n0.875000 0.625000 0.375000 Mn\n0.125000 0.125000 0.125000 Mn\n0.375000 0.875000 0.625000 Mn\n0.626113 0.623887 0.125000 Fe\n0.625000 0.873887 0.376113 Fe\n0.623887 0.125000 0.626113 Fe\n0.876113 0.875000 0.126113 Fe\n0.875000 0.126113 0.876113 Fe\n0.873887 0.376113 0.625000 Fe\n0.126113 0.876113 0.875000 Fe\n0.125000 0.626113 0.623887 Fe\n0.123887 0.375000 0.373887 Fe\n0.376113 0.625000 0.873887 Fe\n0.375000 0.373887 0.123887 Fe\n0.373887 0.123887 0.375000 Fe\n0.616347 0.605068 0.885542 O\n0.614458 0.383653 0.105068 O\n0.613482 0.113482 0.386518 O\n0.644932 0.633653 0.364458 O\n0.605068 0.885542 0.616347 O\n0.636518 0.863482 0.136518 O\n0.635542 0.144932 0.866347 O\n0.633653 0.364458 0.644932 O\n0.866347 0.635542 0.144932 O\n0.864458 0.855068 0.366347 O\n0.863482 0.136518 0.636518 O\n0.894932 0.114458 0.116347 O\n0.855068 0.366347 0.864458 O\n0.886518 0.886518 0.886518 O\n0.885542 0.616347 0.605068 O\n0.883653 0.394932 0.385542 O\n0.116347 0.894932 0.114458 O\n0.114458 0.116347 0.894932 O\n0.113482 0.386518 0.613482 O\n0.144932 0.866347 0.635542 O\n0.105068 0.614458 0.383653 O\n0.136518 0.636518 0.863482 O\n0.135542 0.355068 0.133653 O\n0.133653 0.135542 0.355068 O\n0.366347 0.864458 0.855068 O\n0.364458 0.644932 0.633653 O\n0.363482 0.363482 0.363482 O\n0.394932 0.385542 0.883653 O\n0.355068 0.133653 0.135542 O\n0.386518 0.613482 0.113482 O\n0.385542 0.883653 0.394932 O\n0.383653 0.105068 0.614458 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.054155391602794,
"density_atomic": 0.09381240354432861,
"volume": 596.9359901704113,
"volume_molar": 6.419343852707487,
"formula_full": "Li8 Mn4 Fe12 O32",
"formula_reduced": "Li2MnFe3O8",
"formula_anonymous": "AB2C3D8",
"energy": -414.02649089,
"energy_per_atom": -7.393330194464285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -358.29849089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.9805552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.771000Z",
"spacegroup": 212
},
{
"id": "mp-1203728",
"created_at": "2022-09-04T14:42:28.783110Z",
"structure_string": "Co20 P8 O48\n1.0\n5.430657 0.000000 0.000000\n0.000000 8.889547 0.000000\n0.000000 0.000000 16.942566\nCo P O\n20 8 48\ndirect\n0.055480 0.628420 0.627509 Co\n0.555480 0.871580 0.372491 Co\n0.944520 0.128420 0.872491 Co\n0.444520 0.371580 0.127509 Co\n0.530212 0.632189 0.525796 Co\n0.030212 0.867811 0.474204 Co\n0.469788 0.132189 0.974204 Co\n0.969788 0.367811 0.025796 Co\n0.564013 0.634516 0.720242 Co\n0.064013 0.865484 0.279758 Co\n0.435987 0.134516 0.779758 Co\n0.935987 0.365484 0.220242 Co\n0.717182 0.226089 0.429622 Co\n0.217182 0.273911 0.570378 Co\n0.282818 0.726089 0.070378 Co\n0.782818 0.773911 0.929622 Co\n0.410883 0.497296 0.318650 Co\n0.910883 0.002704 0.681350 Co\n0.589117 0.997296 0.181350 Co\n0.089117 0.502704 0.818650 Co\n0.680489 0.318378 0.621360 P\n0.180489 0.181622 0.378640 P\n0.319511 0.818378 0.878640 P\n0.819511 0.681622 0.121360 P\n0.878549 0.566940 0.374296 P\n0.378549 0.933060 0.625704 P\n0.121451 0.066940 0.125704 P\n0.621451 0.433060 0.874296 P\n0.428185 0.257996 0.359048 O\n0.928185 0.242004 0.640952 O\n0.571815 0.757996 0.140952 O\n0.071815 0.742004 0.859048 O\n0.713205 0.495887 0.622693 O\n0.213205 0.004113 0.377307 O\n0.286795 0.995887 0.877307 O\n0.786795 0.504113 0.122693 O\n0.469995 0.269725 0.676894 O\n0.969995 0.230275 0.323106 O\n0.530005 0.769725 0.823106 O\n0.030005 0.730275 0.176894 O\n0.587322 0.278905 0.536944 O\n0.087322 0.221095 0.463056 O\n0.412678 0.778905 0.963056 O\n0.912678 0.721095 0.036944 O\n0.886174 0.743948 0.376445 O\n0.386174 0.756052 0.623555 O\n0.113826 0.243948 0.123555 O\n0.613826 0.256052 0.876445 O\n0.676840 0.507753 0.431646 O\n0.176840 0.992247 0.568354 O\n0.323160 0.007753 0.068354 O\n0.823160 0.492247 0.931646 O\n0.134161 0.508444 0.390858 O\n0.634161 0.991556 0.609142 O\n0.865839 0.008444 0.109142 O\n0.365839 0.491556 0.890858 O\n0.776181 0.522233 0.291064 O\n0.276181 0.977767 0.708936 O\n0.223819 0.022233 0.208936 O\n0.723819 0.477767 0.791064 O\n0.242415 0.557199 0.720258 O\n0.742415 0.942801 0.279742 O\n0.757585 0.057199 0.779742 O\n0.257585 0.442801 0.220258 O\n0.373189 0.754587 0.309664 O\n0.873189 0.745413 0.690336 O\n0.626811 0.254587 0.190336 O\n0.126811 0.245413 0.809664 O\n0.891565 0.725222 0.537687 O\n0.391565 0.774778 0.462313 O\n0.108435 0.225222 0.962313 O\n0.608435 0.274778 0.037687 O\n0.230795 0.504676 0.565060 O\n0.730795 0.995324 0.434940 O\n0.769205 0.004676 0.934940 O\n0.269205 0.495324 0.065060 O\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.4551126345528616,
"density_atomic": 0.09291854531328755,
"volume": 817.9206825048286,
"volume_molar": 6.481096684946509,
"formula_full": "Co20 P8 O48",
"formula_reduced": "Co5(PO6)2",
"formula_anonymous": "A2B5C12",
"energy": -552.9467146899999,
"energy_per_atom": -7.275614666973683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -487.21071469,
"band_gap": 0.0300000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.9722729,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.943000Z",
"spacegroup": 19
},
{
"id": "mp-623463",
"created_at": "2022-09-04T14:42:03.459937Z",
"structure_string": "Tb4 Mn20 Ge12\n1.0\n4.119891 0.000000 0.000000\n0.000000 12.191259 0.000000\n0.000000 0.000000 13.988881\nTb Mn Ge\n4 20 12\ndirect\n0.750000 0.412450 0.293247 Tb\n0.250000 0.587550 0.706753 Tb\n0.250000 0.912450 0.206753 Tb\n0.750000 0.087550 0.793247 Tb\n0.750000 0.965748 0.563425 Mn\n0.750000 0.117296 0.313103 Mn\n0.250000 0.293479 0.684841 Mn\n0.750000 0.382704 0.813103 Mn\n0.250000 0.410587 0.498007 Mn\n0.250000 0.617296 0.186897 Mn\n0.750000 0.793479 0.815159 Mn\n0.250000 0.206521 0.184841 Mn\n0.250000 0.089413 0.998007 Mn\n0.750000 0.534252 0.063425 Mn\n0.250000 0.882704 0.686897 Mn\n0.750000 0.290587 0.019434 Mn\n0.750000 0.706521 0.315159 Mn\n0.250000 0.790587 0.480566 Mn\n0.750000 0.910587 0.001993 Mn\n0.750000 0.209413 0.519434 Mn\n0.250000 0.465748 0.936575 Mn\n0.750000 0.589413 0.501993 Mn\n0.250000 0.709413 0.980566 Mn\n0.250000 0.034252 0.436575 Mn\n0.750000 0.410845 0.619502 Ge\n0.250000 0.589155 0.380498 Ge\n0.250000 0.910845 0.880498 Ge\n0.750000 0.909618 0.379937 Ge\n0.250000 0.090382 0.620063 Ge\n0.250000 0.240122 0.378053 Ge\n0.750000 0.590382 0.879937 Ge\n0.750000 0.740122 0.121947 Ge\n0.750000 0.759878 0.621947 Ge\n0.750000 0.089155 0.119502 Ge\n0.250000 0.409618 0.120063 Ge\n0.250000 0.259878 0.878053 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Tb",
"density": 6.15928022117756,
"density_atomic": 0.05123718261513206,
"volume": 702.6147450458759,
"volume_molar": 11.753458040882716,
"formula_full": "Tb4 Mn20 Ge12",
"formula_reduced": "TbMn5Ge3",
"formula_anonymous": "AB3C5",
"energy": -259.04785661,
"energy_per_atom": -7.195773794722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.04785661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.7571234,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.714000Z",
"spacegroup": 62
},
{
"id": "mp-530945",
"created_at": "2022-09-04T14:41:18.427199Z",
"structure_string": "Sr16 Fe16 O47\n1.0\n-5.533950 5.533950 7.841068\n5.533950 -5.533950 7.841068\n5.533950 5.533950 -7.841068\nSr Fe O\n16 16 47\ndirect\n0.740954 0.000000 0.740954 Sr\n0.259046 0.000000 0.259046 Sr\n0.251153 0.999618 0.748465 Sr\n0.748847 0.000382 0.251535 Sr\n0.251153 0.502688 0.251535 Sr\n0.502688 0.251153 0.251535 Sr\n0.748822 0.500000 0.248822 Sr\n0.748847 0.497312 0.748465 Sr\n0.000000 0.259046 0.259046 Sr\n0.999618 0.251153 0.748465 Sr\n0.000000 0.740954 0.740954 Sr\n0.251178 0.500000 0.751178 Sr\n0.500000 0.251178 0.751178 Sr\n0.497312 0.748847 0.748465 Sr\n0.500000 0.748822 0.248822 Sr\n0.000382 0.748847 0.251535 Sr\n0.374623 0.874623 0.500000 Fe\n0.866301 0.866301 0.000000 Fe\n0.874427 0.374582 0.000000 Fe\n0.133699 0.133699 0.000000 Fe\n0.374582 0.874427 0.000000 Fe\n0.376989 0.376989 0.000000 Fe\n0.374582 0.374582 0.500155 Fe\n0.625418 0.125573 0.000000 Fe\n0.625377 0.125377 0.500000 Fe\n0.874427 0.874427 0.499845 Fe\n0.625418 0.625418 0.499845 Fe\n0.874623 0.374623 0.500000 Fe\n0.125573 0.125573 0.500155 Fe\n0.125573 0.625418 0.000000 Fe\n0.125377 0.625377 0.500000 Fe\n0.623011 0.623011 0.000000 Fe\n0.997367 0.997367 0.761131 O\n0.997367 0.236236 0.000000 O\n0.236236 0.997367 0.000000 O\n0.500000 0.000000 0.500000 O\n0.236236 0.236236 0.238869 O\n0.500000 0.000000 0.000000 O\n0.252730 0.252730 0.000000 O\n0.499149 0.998675 0.748397 O\n0.500851 0.001325 0.251603 O\n0.498793 0.252095 0.000000 O\n0.500851 0.249248 0.499526 O\n0.763764 0.002633 0.000000 O\n0.749721 0.001325 0.500474 O\n0.750752 0.250279 0.251603 O\n0.750000 0.250000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.498793 0.498793 0.246698 O\n0.749321 0.250679 0.000000 O\n0.002633 0.002633 0.238869 O\n0.749721 0.249248 0.748397 O\n0.500000 0.500000 0.500000 O\n0.750752 0.499149 0.500474 O\n0.998675 0.250279 0.499526 O\n0.250279 0.998675 0.499526 O\n0.499149 0.750752 0.500474 O\n0.001325 0.500851 0.251603 O\n0.998675 0.499149 0.748397 O\n0.252095 0.252095 0.753302 O\n0.000000 0.500000 0.500000 O\n0.250679 0.250679 0.501358 O\n0.000000 0.500000 0.000000 O\n0.749321 0.749321 0.498642 O\n0.763764 0.763764 0.761131 O\n0.001325 0.749721 0.500474 O\n0.002633 0.763764 0.000000 O\n0.252095 0.498793 0.000000 O\n0.249248 0.500851 0.499526 O\n0.501207 0.501207 0.753302 O\n0.500000 0.500000 0.000000 O\n0.250000 0.750000 0.500000 O\n0.249248 0.749721 0.748397 O\n0.250279 0.750752 0.251603 O\n0.250679 0.749321 0.000000 O\n0.501207 0.747905 0.000000 O\n0.747905 0.501207 0.000000 O\n0.747270 0.747270 0.000000 O\n0.747905 0.747905 0.246698 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 5.268349388705582,
"density_atomic": 0.08224725606844849,
"volume": 960.5183659167179,
"volume_molar": 7.321995952045142,
"formula_full": "Sr16 Fe16 O47",
"formula_reduced": "Sr16Fe16O47",
"formula_anonymous": "A16B16C47",
"energy": -572.1009328299999,
"energy_per_atom": -7.241783959873417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -503.71593283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.5045714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.319000Z",
"spacegroup": 139
},
{
"id": "mp-530336",
"created_at": "2022-09-04T14:45:14.037282Z",
"structure_string": "Li9 Mn22 O48\n1.0\n2.938581 5.100774 0.000000\n-2.938581 5.100774 0.000000\n0.000000 0.580765 28.716293\nLi Mn O\n9 22 48\ndirect\n0.839526 0.839526 0.977401 Li\n0.499617 0.499617 0.816179 Li\n0.172509 0.172509 0.644016 Li\n0.827325 0.827325 0.855851 Li\n0.834078 0.834078 0.482179 Li\n0.500203 0.500203 0.683703 Li\n0.160063 0.160063 0.522603 Li\n0.495816 0.495816 0.187633 Li\n0.168013 0.168013 0.017577 Li\n0.500928 0.500928 0.997518 Mn\n0.333440 0.833562 0.916702 Mn\n0.999895 0.999895 0.749893 Mn\n0.833562 0.333440 0.916702 Mn\n0.166431 0.166431 0.835828 Mn\n0.999922 0.499873 0.749905 Mn\n0.499873 0.999922 0.749905 Mn\n0.833239 0.833239 0.663987 Mn\n0.666487 0.166014 0.583125 Mn\n0.166014 0.666487 0.583125 Mn\n0.500047 0.500047 0.502517 Mn\n0.999529 0.999529 0.250849 Mn\n0.334022 0.833363 0.416475 Mn\n0.833363 0.334022 0.416475 Mn\n0.171126 0.171126 0.333333 Mn\n0.334392 0.334392 0.416296 Mn\n0.999849 0.498365 0.250602 Mn\n0.498365 0.999849 0.250602 Mn\n0.829027 0.829027 0.166098 Mn\n0.667110 0.166491 0.083237 Mn\n0.166491 0.667110 0.083237 Mn\n0.666593 0.666593 0.083418 Mn\n0.677200 0.208612 0.962167 O\n0.208612 0.677200 0.962167 O\n0.514999 0.514999 0.883023 O\n0.653033 0.653033 0.955564 O\n0.014044 0.014044 0.877776 O\n0.312289 0.866870 0.787964 O\n0.458375 0.989858 0.871281 O\n0.151860 0.151860 0.950484 O\n0.866870 0.312289 0.787964 O\n0.164011 0.164011 0.714260 O\n0.989858 0.458375 0.871281 O\n0.313229 0.313229 0.788962 O\n0.009802 0.541354 0.628461 O\n0.686567 0.686567 0.710820 O\n0.541354 0.009802 0.628461 O\n0.835782 0.835782 0.785521 O\n0.132862 0.687501 0.711804 O\n0.848106 0.848106 0.549270 O\n0.985688 0.985688 0.622014 O\n0.687501 0.132862 0.711804 O\n0.347149 0.347149 0.544004 O\n0.646789 0.200913 0.454535 O\n0.200913 0.646789 0.454535 O\n0.791830 0.323118 0.537783 O\n0.502935 0.502935 0.382854 O\n0.484512 0.484512 0.616834 O\n0.647245 0.647245 0.455588 O\n0.323118 0.791830 0.537783 O\n0.328982 0.877585 0.292995 O\n0.023558 0.023558 0.378394 O\n0.461661 0.022063 0.378497 O\n0.166204 0.166204 0.217489 O\n0.877585 0.328982 0.292995 O\n0.165696 0.165696 0.451439 O\n0.316469 0.316469 0.287927 O\n0.022063 0.461661 0.378497 O\n0.975985 0.539170 0.122299 O\n0.681229 0.681229 0.211622 O\n0.539170 0.975985 0.122299 O\n0.125803 0.671654 0.207278 O\n0.832231 0.832231 0.283050 O\n0.830334 0.830334 0.047619 O\n0.975938 0.975938 0.122034 O\n0.671654 0.125803 0.207278 O\n0.354046 0.354046 0.044456 O\n0.800274 0.355758 0.045287 O\n0.502049 0.502049 0.118826 O\n0.355758 0.800274 0.045287 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9332417865600524,
"density_atomic": 0.09176878289277327,
"volume": 860.859188819221,
"volume_molar": 6.562297733681984,
"formula_full": "Li9 Mn22 O48",
"formula_reduced": "Li9Mn22O48",
"formula_anonymous": "A9B22C48",
"energy": -607.88231564,
"energy_per_atom": -7.694712856202532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -538.21031564,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 67.1933942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.043000Z",
"spacegroup": 8
}
]
}