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=formation_energy_per_atom&page=10242",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10240",
"results": [
{
"id": "mp-1036522",
"created_at": "2022-09-04T14:40:42.082181Z",
"structure_string": "Sr1 Mg14 Al1 O16\n1.0\n8.666510 0.000000 0.000000\n0.000000 8.666510 0.000000\n0.000000 0.000000 4.441379\nSr Mg Al O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.248525 0.000000 0.500000 Mg\n0.751475 0.000000 0.500000 Mg\n0.241503 0.500000 0.500000 Mg\n0.758497 0.500000 0.500000 Mg\n0.000000 0.248525 0.500000 Mg\n0.500000 0.241503 0.500000 Mg\n0.000000 0.751475 0.500000 Mg\n0.500000 0.758497 0.500000 Mg\n0.245306 0.245306 0.000000 Mg\n0.754694 0.245306 0.000000 Mg\n0.245306 0.754694 0.000000 Mg\n0.754694 0.754694 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.226488 0.000000 O\n0.500000 0.226372 0.000000 O\n0.000000 0.773512 0.000000 O\n0.500000 0.773628 0.000000 O\n0.249654 0.249654 0.500000 O\n0.750346 0.249654 0.500000 O\n0.249654 0.750346 0.500000 O\n0.750346 0.750346 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.226488 0.000000 0.000000 O\n0.773512 0.000000 0.000000 O\n0.226372 0.500000 0.000000 O\n0.773628 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O-Sr",
"density": 3.538572021437368,
"density_atomic": 0.09592761757064042,
"volume": 333.584850853149,
"volume_molar": 6.277796647628968,
"formula_full": "Sr1 Mg14 Al1 O16",
"formula_reduced": "SrMg14AlO16",
"formula_anonymous": "ABC14D16",
"energy": -199.66809917,
"energy_per_atom": -6.2396280990625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.67609917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.619000Z",
"spacegroup": 123
},
{
"id": "mp-1187779",
"created_at": "2022-09-04T14:40:42.083770Z",
"structure_string": "U1 Re1 O3\n1.0\n3.981263 0.000000 0.000000\n0.000000 3.981263 0.000000\n0.000000 0.000000 3.981263\nU Re O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Re\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Re",
"O"
],
"chemical_system": "O-Re-U",
"density": 12.42635760544446,
"density_atomic": 0.07923323736604272,
"volume": 63.10483032393257,
"volume_molar": 7.6005234169327665,
"formula_full": "U1 Re1 O3",
"formula_reduced": "UReO3",
"formula_anonymous": "ABC3",
"energy": -47.81213267,
"energy_per_atom": -9.562426534,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.75113267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.882063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.755000Z",
"spacegroup": 221
},
{
"id": "mp-867120",
"created_at": "2022-09-04T14:40:42.085015Z",
"structure_string": "Ta1 Mn2 Al1\n1.0\n0.000000 2.999088 2.999088\n2.999088 0.000000 2.999088\n2.999088 2.999088 0.000000\nTa Mn Al\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Ta\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Ta",
"density": 9.781667476676578,
"density_atomic": 0.0741416707242276,
"volume": 53.950766969874905,
"volume_molar": 8.122477820063635,
"formula_full": "Ta1 Mn2 Al1",
"formula_reduced": "TaMn2Al",
"formula_anonymous": "ABC2",
"energy": -35.14109115,
"energy_per_atom": -8.7852727875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.14109115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9984121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.484000Z",
"spacegroup": 225
},
{
"id": "mp-1227272",
"created_at": "2022-09-04T14:40:42.090860Z",
"structure_string": "Be4 Al1 Fe1\n1.0\n0.000000 2.998645 2.998645\n2.998645 0.000000 2.998645\n2.998645 2.998645 0.000000\nBe Al Fe\n4 1 1\ndirect\n0.626693 0.626693 0.119921 Be\n0.626693 0.119921 0.626693 Be\n0.119921 0.626693 0.626693 Be\n0.626693 0.626693 0.626693 Be\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Al",
"Fe"
],
"chemical_system": "Al-Be-Fe",
"density": 3.660458129794312,
"density_atomic": 0.11126180277096713,
"volume": 53.926863043474356,
"volume_molar": 5.412585999884077,
"formula_full": "Be4 Al1 Fe1",
"formula_reduced": "Be4AlFe",
"formula_anonymous": "ABC4",
"energy": -28.59395047,
"energy_per_atom": -4.765658411666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.59395047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9151577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.570000Z",
"spacegroup": 216
},
{
"id": "mp-28293",
"created_at": "2022-09-04T14:40:42.095992Z",
"structure_string": "Sn2 P2 Cl18\n1.0\n7.416260 0.000000 0.000000\n-0.842431 9.321485 0.000000\n-1.145748 -2.037532 9.724990\nSn P Cl\n2 2 18\ndirect\n0.610713 0.638971 0.678571 Sn\n0.389287 0.361029 0.321429 Sn\n0.049579 0.193612 0.778192 P\n0.950421 0.806388 0.221808 P\n0.376023 0.574489 0.217710 Cl\n0.623977 0.425511 0.782290 Cl\n0.420656 0.162206 0.442080 Cl\n0.579344 0.837794 0.557920 Cl\n0.067929 0.281989 0.243951 Cl\n0.932071 0.718011 0.756049 Cl\n0.519733 0.228983 0.128072 Cl\n0.480267 0.771017 0.871928 Cl\n0.291980 0.518627 0.548410 Cl\n0.708020 0.481373 0.451590 Cl\n0.845286 0.612842 0.118371 Cl\n0.154714 0.387158 0.881629 Cl\n0.947021 0.206033 0.592610 Cl\n0.052979 0.793967 0.407390 Cl\n0.240814 0.061749 0.768725 Cl\n0.759186 0.938251 0.231275 Cl\n0.855986 0.115544 0.871096 Cl\n0.144014 0.884456 0.128904 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"P",
"Cl"
],
"chemical_system": "Cl-P-Sn",
"density": 2.315640460563565,
"density_atomic": 0.03272378008608273,
"volume": 672.2939691602589,
"volume_molar": 18.402949610828085,
"formula_full": "Sn2 P2 Cl18",
"formula_reduced": "SnPCl9",
"formula_anonymous": "ABC9",
"energy": -80.09673944,
"energy_per_atom": -3.6407608836363634,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.04473944,
"band_gap": 2.4344,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003424,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.746000Z",
"spacegroup": 2
},
{
"id": "mp-1097648",
"created_at": "2022-09-04T14:40:42.097665Z",
"structure_string": "Hf1 Ti1 Co2\n1.0\n-4.443593 5.321955 7.504344\n4.443593 -5.321955 7.504344\n4.443593 5.321955 -7.504344\nHf Ti Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.247744 0.247744 Co\n0.000000 0.752256 0.752256 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Co"
],
"chemical_system": "Co-Hf-Ti",
"density": 0.8052139264273553,
"density_atomic": 0.005634842662532105,
"volume": 709.8689776375295,
"volume_molar": 106.87327261226237,
"formula_full": "Hf1 Ti1 Co2",
"formula_reduced": "HfTiCo2",
"formula_anonymous": "ABC2",
"energy": -19.74700133,
"energy_per_atom": -4.9367503325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.74700133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1398581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.724000Z",
"spacegroup": 71
},
{
"id": "mp-1071625",
"created_at": "2022-09-04T14:40:42.099643Z",
"structure_string": "C2 Se4\n1.0\n2.994780 -3.569767 0.000000\n2.994780 3.569767 0.000000\n0.000000 0.000000 9.462652\nC Se\n2 4\ndirect\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.287578 0.287578 0.620615 Se\n0.712422 0.712422 0.379385 Se\n0.212422 0.212422 0.120615 Se\n0.787578 0.787578 0.879385 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"Se"
],
"chemical_system": "C-Se",
"density": 2.789351726499106,
"density_atomic": 0.029655386693396114,
"volume": 202.32411946043266,
"volume_molar": 20.307072108896346,
"formula_full": "C2 Se4",
"formula_reduced": "CSe2",
"formula_anonymous": "AB2",
"energy": -30.29466685,
"energy_per_atom": -5.049111141666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.40666685,
"band_gap": 2.3495,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001208,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.732000Z",
"spacegroup": 64
},
{
"id": "mp-1080152",
"created_at": "2022-09-04T14:40:42.104954Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n1.627764 -2.819369 0.000000\n1.627764 2.819369 0.000000\n0.000000 0.000000 36.557510\nMo W Se S\n1 3 4 4\ndirect\n0.000000 0.000000 0.093916 Mo\n0.000000 0.000000 0.469679 W\n0.333333 0.666667 0.281797 W\n0.333333 0.666667 0.657605 W\n0.000000 0.000000 0.704292 Se\n0.333333 0.666667 0.422922 Se\n0.333333 0.666667 0.516320 Se\n0.000000 0.000000 0.610832 Se\n0.000000 0.000000 0.324192 S\n0.333333 0.666667 0.051650 S\n0.333333 0.666667 0.136168 S\n0.000000 0.000000 0.239373 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.4019025775444325,
"density_atomic": 0.035762781016183895,
"volume": 335.54437487872053,
"volume_molar": 16.839128806215527,
"formula_full": "Mo1 W3 Se4 S4",
"formula_reduced": "MoW3(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy": -92.36750625,
"energy_per_atom": -7.6972921875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.46750625,
"band_gap": 0.5129000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001782,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.722000Z",
"spacegroup": 156
},
{
"id": "mp-1233376",
"created_at": "2022-09-04T14:40:42.109643Z",
"structure_string": "Mg1 Mn8 O13 F3\n1.0\n4.665952 0.033032 -5.003283\n0.189190 5.681110 0.128069\n4.819282 0.267614 5.124707\nMg Mn O F\n1 8 13 3\ndirect\n0.627857 0.074994 0.901124 Mg\n0.363907 0.348456 0.122507 Mn\n0.137219 0.685033 0.390818 Mn\n0.902384 0.171726 0.163170 Mn\n0.369582 0.126024 0.619663 Mn\n0.132626 0.846774 0.894714 Mn\n0.641250 0.860103 0.394764 Mn\n0.607534 0.591263 0.858017 Mn\n0.890104 0.358130 0.646485 Mn\n0.157191 0.111177 0.085860 O\n0.168037 0.616996 0.115919 O\n0.563577 0.577553 0.118513 O\n0.082742 0.607682 0.660083 O\n0.363341 0.895105 0.434876 O\n0.096177 0.100608 0.684522 O\n0.611823 0.108545 0.180010 O\n0.416878 0.859866 0.819998 O\n0.658814 0.118352 0.604165 O\n0.912026 0.893362 0.337553 O\n0.425780 0.341729 0.836476 O\n0.681288 0.598516 0.599760 O\n0.820093 0.346589 0.906524 O\n0.325556 0.381949 0.418663 F\n0.929430 0.398155 0.373621 F\n0.824787 0.826549 0.922193 F\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"O",
"F"
],
"chemical_system": "F-Mg-Mn-O",
"density": 4.442649396273785,
"density_atomic": 0.09177544802928918,
"volume": 272.4040093165387,
"volume_molar": 6.561821150770189,
"formula_full": "Mg1 Mn8 O13 F3",
"formula_reduced": "MgMn8O13F3",
"formula_anonymous": "AB3C8D13",
"energy": -195.64911639,
"energy_per_atom": -7.8259646556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.98811639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.0048336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.869000Z",
"spacegroup": 1
},
{
"id": "mp-1517370",
"created_at": "2022-09-04T14:40:42.110613Z",
"structure_string": "Ba1 Na1 Tb1 W1 O6\n1.0\n-0.000000 -4.219913 -4.219913\n4.219913 0.000000 -4.219913\n4.219913 -4.219913 -0.000000\nBa Na Tb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.731980 0.268020 0.268020 O\n0.268020 0.731980 0.731980 O\n0.731980 0.268020 0.731980 O\n0.268020 0.731980 0.268020 O\n0.731980 0.731980 0.268020 O\n0.268020 0.268020 0.731980 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Tb",
"W",
"O"
],
"chemical_system": "Ba-Na-O-Tb-W",
"density": 6.618999637085073,
"density_atomic": 0.06653643259751062,
"volume": 150.29360020684575,
"volume_molar": 9.050892157727901,
"formula_full": "Ba1 Na1 Tb1 W1 O6",
"formula_reduced": "BaNaTbWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.71744724,
"energy_per_atom": -7.971744724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.15744724,
"band_gap": 2.8478000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.781000Z",
"spacegroup": 216
},
{
"id": "mp-776509",
"created_at": "2022-09-04T14:40:42.116880Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n1.925477 7.606609 0.000000\n-1.925477 7.606609 0.000000\n0.000000 1.436848 9.194571\nSr Ti N O\n2 6 2 11\ndirect\n0.555214 0.555214 0.238307 Sr\n0.455385 0.455385 0.772896 Sr\n0.121294 0.121294 0.913250 Ti\n0.165969 0.165969 0.557939 Ti\n0.241692 0.241692 0.242770 Ti\n0.768446 0.768446 0.768591 Ti\n0.832517 0.832517 0.435113 Ti\n0.888067 0.888067 0.110425 Ti\n0.292789 0.292789 0.420794 N\n0.931975 0.931975 0.286858 N\n0.068517 0.068517 0.705568 O\n0.122789 0.122789 0.383329 O\n0.154568 0.154568 0.095683 O\n0.639652 0.639652 0.886725 O\n0.697177 0.697177 0.574121 O\n0.755123 0.755123 0.231907 O\n0.240142 0.240142 0.761262 O\n0.358588 0.358588 0.108429 O\n0.838572 0.838572 0.901750 O\n0.872189 0.872189 0.617402 O\n0.999334 0.999334 0.986881 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ti",
"density": 4.108894525268118,
"density_atomic": 0.07797015545108507,
"volume": 269.333822390215,
"volume_molar": 7.723648523155783,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy": -188.47654309,
"energy_per_atom": -8.97507348047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.19754309,
"band_gap": 1.7702,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.53e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.405000Z",
"spacegroup": 8
},
{
"id": "mp-756026",
"created_at": "2022-09-04T14:40:42.125954Z",
"structure_string": "Fe6 O10 F2\n1.0\n4.637886 0.000000 0.000000\n0.172937 5.508784 0.000000\n0.215732 0.600243 7.629433\nFe O F\n6 10 2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.500753 0.165497 0.831139 Fe\n0.499247 0.834503 0.168861 Fe\n0.000000 0.000000 0.500000 Fe\n0.982622 0.330176 0.153860 Fe\n0.017378 0.669824 0.846140 Fe\n0.812495 0.041689 0.272814 O\n0.805410 0.377239 0.927129 O\n0.694402 0.872390 0.936188 O\n0.690390 0.200763 0.597109 O\n0.694074 0.540035 0.272554 O\n0.309610 0.799237 0.402891 O\n0.305598 0.127610 0.063812 O\n0.305926 0.459965 0.727446 O\n0.194590 0.622761 0.072871 O\n0.187505 0.958311 0.727186 O\n0.804608 0.696069 0.604057 F\n0.195392 0.303931 0.395943 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.5410655665157496,
"density_atomic": 0.09234309538709223,
"volume": 194.92523966784904,
"volume_molar": 6.521484616425125,
"formula_full": "Fe6 O10 F2",
"formula_reduced": "Fe3O5F",
"formula_anonymous": "AB3C5",
"energy": -131.39876099999998,
"energy_per_atom": -7.299931166666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.068761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.09064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.664000Z",
"spacegroup": 2
}
]
}