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=chemical_system&page=68",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=66",
"results": [
{
"id": "mp-603",
"created_at": "2022-09-04T14:40:04.358592Z",
"structure_string": "Be4 Ag2\n1.0\n0.000000 3.209907 3.209907\n3.209907 0.000000 3.209907\n3.209907 3.209907 0.000000\nBe Ag\n4 2\ndirect\n0.125000 0.125000 0.625000 Be\n0.125000 0.625000 0.125000 Be\n0.125000 0.125000 0.125000 Be\n0.625000 0.125000 0.125000 Be\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 6.320796766408729,
"density_atomic": 0.09070764780631659,
"volume": 66.14657247877813,
"volume_molar": 6.639066170979067,
"formula_full": "Be4 Ag2",
"formula_reduced": "Be2Ag",
"formula_anonymous": "AB2",
"energy": -20.46520319,
"energy_per_atom": -3.4108671983333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.46520319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.692000Z",
"spacegroup": 227
},
{
"id": "mp-1214184",
"created_at": "2022-09-04T14:43:21.216739Z",
"structure_string": "Be2 Ag8\n1.0\n-4.525266 -4.525266 0.000000\n-4.525266 0.000000 -4.525266\n0.000000 -4.525266 -4.525266\nBe Ag\n2 8\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Be\n0.610296 0.610296 0.610296 Ag\n0.169112 0.610296 0.610296 Ag\n0.610296 0.169112 0.610296 Ag\n0.580888 0.139704 0.139704 Ag\n0.139704 0.139704 0.139704 Ag\n0.610296 0.610296 0.169112 Ag\n0.139704 0.580888 0.139704 Ag\n0.139704 0.139704 0.580888 Ag\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 7.893104738413197,
"density_atomic": 0.053955741656333905,
"volume": 185.33708726856307,
"volume_molar": 11.16126027579691,
"formula_full": "Be2 Ag8",
"formula_reduced": "BeAg4",
"formula_anonymous": "AB4",
"energy": -25.16762988,
"energy_per_atom": -2.516762988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.16762988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.078000Z",
"spacegroup": 227
},
{
"id": "mp-12665",
"created_at": "2022-09-04T14:39:37.721325Z",
"structure_string": "Be12 Ag1\n1.0\n-3.681396 3.681396 2.131530\n3.681396 -3.681396 2.131530\n3.681396 3.681396 -2.131530\nBe Ag\n12 1\ndirect\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.353215 0.353215 Be\n0.646785 0.000000 0.646785 Be\n0.353215 0.000000 0.353215 Be\n0.000000 0.646785 0.646785 Be\n0.500000 0.265501 0.765501 Be\n0.734499 0.500000 0.234499 Be\n0.265501 0.500000 0.765501 Be\n0.500000 0.734499 0.234499 Be\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 3.1042397476967825,
"density_atomic": 0.11250370871525102,
"volume": 115.55174623534627,
"volume_molar": 5.352837545331195,
"formula_full": "Be12 Ag1",
"formula_reduced": "Be12Ag",
"formula_anonymous": "AB12",
"energy": -46.27390409,
"energy_per_atom": -3.559531083846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.27390409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0734455,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.680000Z",
"spacegroup": 139
},
{
"id": "mp-984719",
"created_at": "2022-09-04T14:48:05.053692Z",
"structure_string": "Be1 Ag3\n1.0\n3.990716 0.000000 0.000000\n0.000000 3.990716 0.000000\n0.000000 0.000000 3.990716\nBe Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 8.690420445482527,
"density_atomic": 0.06293721548224648,
"volume": 63.555401511659376,
"volume_molar": 9.568489349038238,
"formula_full": "Be1 Ag3",
"formula_reduced": "BeAg3",
"formula_anonymous": "AB3",
"energy": -11.35525693,
"energy_per_atom": -2.8388142325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.35525693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.406000Z",
"spacegroup": 221
},
{
"id": "mp-1214242",
"created_at": "2022-09-04T14:46:27.655318Z",
"structure_string": "Be6 Ag8 P6 Br2 O24\n1.0\n8.630320 0.000000 0.000000\n0.000000 8.630320 0.000000\n0.000000 0.000000 8.630320\nBe Ag P Br O\n6 8 6 2 24\ndirect\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.000000 0.500000 0.250000 Be\n0.000000 0.500000 0.750000 Be\n0.172014 0.172014 0.172014 Ag\n0.827986 0.827986 0.172014 Ag\n0.827986 0.172014 0.827986 Ag\n0.672014 0.672014 0.672014 Ag\n0.172014 0.827986 0.827986 Ag\n0.327986 0.327986 0.672014 Ag\n0.672014 0.327986 0.327986 Ag\n0.327986 0.672014 0.327986 Ag\n0.250000 0.500000 0.000000 P\n0.750000 0.500000 0.000000 P\n0.000000 0.250000 0.500000 P\n0.000000 0.750000 0.500000 P\n0.500000 0.000000 0.250000 P\n0.500000 0.000000 0.750000 P\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.141724 0.149811 0.452940 O\n0.858276 0.850189 0.452940 O\n0.858276 0.149811 0.547060 O\n0.452940 0.141724 0.149811 O\n0.649811 0.641724 0.952940 O\n0.141724 0.850189 0.547060 O\n0.452940 0.858276 0.850189 O\n0.350189 0.358276 0.952940 O\n0.547060 0.858276 0.149811 O\n0.649811 0.358276 0.047060 O\n0.547060 0.141724 0.850189 O\n0.350189 0.641724 0.047060 O\n0.149811 0.452940 0.141724 O\n0.641724 0.952940 0.649811 O\n0.149811 0.547060 0.858276 O\n0.358276 0.047060 0.649811 O\n0.850189 0.547060 0.141724 O\n0.641724 0.047060 0.350189 O\n0.850189 0.452940 0.858276 O\n0.358276 0.952940 0.350189 O\n0.952940 0.649811 0.641724 O\n0.952940 0.350189 0.358276 O\n0.047060 0.350189 0.641724 O\n0.047060 0.649811 0.358276 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Be",
"Ag",
"P",
"Br",
"O"
],
"chemical_system": "Ag-Be-Br-O-P",
"density": 4.253740397285386,
"density_atomic": 0.07156112090644878,
"volume": 642.8071474751687,
"volume_molar": 8.415380703542489,
"formula_full": "Be6 Ag8 P6 Br2 O24",
"formula_reduced": "Be3Ag4P3BrO12",
"formula_anonymous": "AB3C3D4E12",
"energy": -302.31644159,
"energy_per_atom": -6.572096556304348,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.76044159,
"band_gap": 2.5182,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.555000Z",
"spacegroup": 218
},
{
"id": "mp-1183417",
"created_at": "2022-09-04T14:47:03.097878Z",
"structure_string": "Be1 Ag1 O3\n1.0\n3.568391 0.000000 0.000000\n0.000000 3.568391 0.000000\n0.000000 0.000000 3.568391\nBe Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Ag",
"O"
],
"chemical_system": "Ag-Be-O",
"density": 6.0255408511428925,
"density_atomic": 0.11004053629370913,
"volume": 45.43780109045,
"volume_molar": 5.472656679831428,
"formula_full": "Be1 Ag1 O3",
"formula_reduced": "BeAgO3",
"formula_anonymous": "ABC3",
"energy": -25.31549448,
"energy_per_atom": -5.0630988960000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.25449448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.359000Z",
"spacegroup": 221
},
{
"id": "mp-15919",
"created_at": "2022-09-04T14:40:19.846182Z",
"structure_string": "Be12 Ag12 P12 O48\n1.0\n7.996865 0.000000 0.000000\n0.000000 8.329699 0.000000\n0.000000 8.279367 14.618781\nBe Ag P O\n12 12 12 48\ndirect\n0.173054 0.985099 0.418601 Be\n0.829096 0.657537 0.908849 Be\n0.329096 0.342463 0.591151 Be\n0.170904 0.342463 0.091151 Be\n0.670904 0.657537 0.408849 Be\n0.826946 0.014901 0.581399 Be\n0.326946 0.985099 0.918601 Be\n0.673054 0.014901 0.081399 Be\n0.825737 0.320347 0.758034 Be\n0.325737 0.679653 0.741966 Be\n0.174263 0.679653 0.241966 Be\n0.674263 0.320347 0.258034 Be\n0.985711 0.277266 0.935454 Ag\n0.485711 0.722734 0.564546 Ag\n0.014289 0.722734 0.064546 Ag\n0.514289 0.277266 0.435454 Ag\n0.519549 0.364325 0.914367 Ag\n0.019549 0.635675 0.585633 Ag\n0.480451 0.635675 0.085633 Ag\n0.980451 0.364325 0.414367 Ag\n0.993138 0.998153 0.752124 Ag\n0.493138 0.001847 0.747876 Ag\n0.006862 0.001847 0.247876 Ag\n0.506862 0.998153 0.252124 Ag\n0.705354 0.340537 0.589538 P\n0.205354 0.659463 0.910462 P\n0.294646 0.659463 0.410462 P\n0.794646 0.340537 0.089538 P\n0.703549 0.977848 0.917645 P\n0.203549 0.022152 0.582355 P\n0.296451 0.022152 0.082355 P\n0.796451 0.977848 0.417645 P\n0.707795 0.679783 0.738058 P\n0.207795 0.320217 0.761942 P\n0.292205 0.320217 0.261942 P\n0.792205 0.679783 0.238058 P\n0.524205 0.382091 0.606413 O\n0.324905 0.615463 0.850786 O\n0.175095 0.615463 0.350786 O\n0.675095 0.384537 0.149214 O\n0.821528 0.811375 0.942812 O\n0.321528 0.188625 0.557188 O\n0.178472 0.188625 0.057188 O\n0.678472 0.811375 0.442812 O\n0.745893 0.461690 0.987121 O\n0.321597 0.205475 0.845893 O\n0.178403 0.205475 0.345893 O\n0.678403 0.794525 0.154107 O\n0.977881 0.720281 0.205428 O\n0.477881 0.279719 0.294572 O\n0.022119 0.279719 0.794572 O\n0.522119 0.720281 0.705428 O\n0.979623 0.907880 0.433195 O\n0.824905 0.384537 0.649214 O\n0.479623 0.092120 0.066805 O\n0.020377 0.092120 0.566805 O\n0.520377 0.907880 0.933195 O\n0.975795 0.382091 0.106413 O\n0.475795 0.617909 0.393587 O\n0.024205 0.617909 0.893587 O\n0.768012 0.740473 0.311249 O\n0.268012 0.259527 0.188751 O\n0.231988 0.259527 0.688751 O\n0.731988 0.740473 0.811249 O\n0.773362 0.123718 0.315596 O\n0.273362 0.876282 0.184404 O\n0.226638 0.876282 0.684404 O\n0.726638 0.123718 0.815596 O\n0.780643 0.133006 0.117870 O\n0.280643 0.866994 0.382130 O\n0.219357 0.866994 0.882130 O\n0.719357 0.133006 0.617870 O\n0.754631 0.471965 0.281004 O\n0.254631 0.528035 0.218996 O\n0.245369 0.528035 0.718996 O\n0.745369 0.471965 0.781004 O\n0.753615 0.061568 0.479928 O\n0.253615 0.938432 0.020072 O\n0.246385 0.938432 0.520072 O\n0.746385 0.061568 0.979928 O\n0.754107 0.461690 0.487121 O\n0.254107 0.538310 0.012879 O\n0.245893 0.538310 0.512879 O\n0.821597 0.794525 0.654107 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Be",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-Be-O-P",
"density": 4.335130288390942,
"density_atomic": 0.08626190669006771,
"volume": 973.7786147227819,
"volume_molar": 6.9812284368314295,
"formula_full": "Be12 Ag12 P12 O48",
"formula_reduced": "BeAgPO4",
"formula_anonymous": "ABCD4",
"energy": -581.20243457,
"energy_per_atom": -6.91907660202381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -548.22643457,
"band_gap": 2.083,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.845000Z",
"spacegroup": 14
},
{
"id": "mp-1214285",
"created_at": "2022-09-04T14:40:10.756297Z",
"structure_string": "Be8 Si8 Ag16 O32\n1.0\n5.043717 0.000000 0.000000\n0.000000 10.149675 0.000000\n0.000000 0.000000 14.404240\nBe Si Ag O\n8 8 16 32\ndirect\n0.025193 0.015778 0.495301 Be\n0.974807 0.984222 0.995301 Be\n0.974807 0.515778 0.495301 Be\n0.025193 0.484222 0.995301 Be\n0.501734 0.235887 0.748706 Be\n0.498266 0.764113 0.248706 Be\n0.498266 0.735887 0.748706 Be\n0.501734 0.264113 0.248706 Be\n0.525847 0.484423 0.874548 Si\n0.474153 0.515577 0.374548 Si\n0.474153 0.984423 0.874548 Si\n0.525847 0.015577 0.374548 Si\n0.002682 0.266545 0.620178 Si\n0.997318 0.733455 0.120178 Si\n0.997318 0.766545 0.620178 Si\n0.002682 0.233455 0.120178 Si\n0.019906 0.236167 0.872344 Ag\n0.980094 0.763833 0.372344 Ag\n0.980094 0.736167 0.872344 Ag\n0.019906 0.263833 0.372344 Ag\n0.018867 0.496332 0.747118 Ag\n0.981133 0.503668 0.247118 Ag\n0.981133 0.996332 0.747118 Ag\n0.018867 0.003668 0.247118 Ag\n0.523777 0.264103 0.497227 Ag\n0.476223 0.735897 0.997227 Ag\n0.476223 0.764103 0.497227 Ag\n0.523777 0.235897 0.997227 Ag\n0.510338 0.013159 0.622102 Ag\n0.489662 0.986841 0.122102 Ag\n0.489662 0.513159 0.622102 Ag\n0.510338 0.486841 0.122102 Ag\n0.580895 0.333399 0.835984 O\n0.419105 0.666601 0.335984 O\n0.419105 0.833399 0.835984 O\n0.580895 0.166601 0.335984 O\n0.264083 0.300150 0.685320 O\n0.735917 0.699850 0.185320 O\n0.735917 0.800150 0.685320 O\n0.264083 0.199850 0.185320 O\n0.108506 0.593935 0.074681 O\n0.891494 0.406065 0.574681 O\n0.891494 0.093935 0.074681 O\n0.108506 0.906065 0.574681 O\n0.211712 0.505079 0.902097 O\n0.788288 0.494921 0.402097 O\n0.788288 0.005079 0.902097 O\n0.211712 0.994921 0.402097 O\n0.235655 0.700685 0.683869 O\n0.764345 0.299315 0.183869 O\n0.764345 0.200685 0.683869 O\n0.235655 0.799315 0.183869 O\n0.287763 0.006488 0.967651 O\n0.712237 0.993512 0.467651 O\n0.712237 0.506488 0.967651 O\n0.287763 0.493512 0.467651 O\n0.084948 0.166484 0.533971 O\n0.915052 0.833516 0.033971 O\n0.915052 0.666484 0.533971 O\n0.084948 0.333516 0.033971 O\n0.393906 0.093704 0.793603 O\n0.606094 0.906296 0.293603 O\n0.606094 0.593704 0.793603 O\n0.393906 0.406296 0.293603 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Be",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Be-O-Si",
"density": 5.707875502260661,
"density_atomic": 0.08679341538084742,
"volume": 737.38312657901,
"volume_molar": 6.938476534855774,
"formula_full": "Be8 Si8 Ag16 O32",
"formula_reduced": "BeSi(AgO2)2",
"formula_anonymous": "ABC2D4",
"energy": -409.12233148,
"energy_per_atom": -6.392536429375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -387.13833148,
"band_gap": 0.7882000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0020353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.356000Z",
"spacegroup": 29
},
{
"id": "mp-1041173",
"created_at": "2022-09-04T14:47:44.877999Z",
"structure_string": "Be12 Si12 Ag8 O48\n1.0\n7.786354 0.000000 0.000000\n0.000000 8.283050 0.000000\n0.000000 8.194560 14.518080\nBe Si Ag O\n12 12 8 48\ndirect\n0.839236 0.808562 0.763671 Be\n0.661979 0.160622 0.404126 Be\n0.161979 0.839378 0.095874 Be\n0.338021 0.839378 0.595874 Be\n0.838021 0.160622 0.904126 Be\n0.163316 0.478302 0.417573 Be\n0.663316 0.521698 0.082427 Be\n0.836684 0.521698 0.582427 Be\n0.336684 0.478302 0.917573 Be\n0.660764 0.808562 0.263671 Be\n0.160764 0.191438 0.236329 Be\n0.339236 0.191438 0.736329 Be\n0.221629 0.812514 0.767627 Si\n0.721629 0.187486 0.732373 Si\n0.778371 0.187486 0.232373 Si\n0.278371 0.812514 0.267627 Si\n0.726962 0.466269 0.922248 Si\n0.226962 0.533731 0.577752 Si\n0.273038 0.533731 0.077752 Si\n0.773038 0.466269 0.422248 Si\n0.226568 0.155796 0.905441 Si\n0.726568 0.844204 0.594559 Si\n0.773432 0.844204 0.094559 Si\n0.273432 0.155796 0.405441 Si\n0.464912 0.159809 0.089118 Ag\n0.035088 0.159809 0.589118 Ag\n0.535088 0.840191 0.910882 Ag\n0.964912 0.840191 0.410882 Ag\n0.554437 0.810917 0.432247 Ag\n0.054437 0.189083 0.067753 Ag\n0.445563 0.189083 0.567753 Ag\n0.945563 0.810917 0.932247 Ag\n0.146287 0.711215 0.048942 O\n0.028198 0.773753 0.812810 O\n0.528198 0.226247 0.687190 O\n0.971802 0.226247 0.187190 O\n0.471802 0.773753 0.312810 O\n0.529191 0.388077 0.951029 O\n0.029191 0.611923 0.548971 O\n0.470809 0.611923 0.048971 O\n0.970809 0.388077 0.451029 O\n0.031131 0.090547 0.893142 O\n0.531131 0.909453 0.606858 O\n0.968869 0.909453 0.106858 O\n0.141952 0.097954 0.347377 O\n0.641952 0.902046 0.152623 O\n0.858048 0.902046 0.652623 O\n0.358048 0.097954 0.847377 O\n0.646287 0.288785 0.451058 O\n0.468869 0.090547 0.393142 O\n0.353713 0.711215 0.548942 O\n0.853713 0.288785 0.951058 O\n0.764321 0.957968 0.479731 O\n0.641605 0.295377 0.146855 O\n0.858395 0.295377 0.646855 O\n0.358395 0.704623 0.853145 O\n0.741099 0.249366 0.809632 O\n0.241099 0.750634 0.690368 O\n0.258901 0.750634 0.190368 O\n0.758901 0.249366 0.309632 O\n0.737256 0.620221 0.814645 O\n0.237256 0.379779 0.685355 O\n0.262744 0.379779 0.185355 O\n0.762744 0.620221 0.314645 O\n0.238706 0.373459 0.873652 O\n0.738706 0.626541 0.626348 O\n0.761294 0.626541 0.126348 O\n0.261294 0.373459 0.373652 O\n0.744555 0.957721 0.789387 O\n0.244555 0.042279 0.710613 O\n0.255445 0.042279 0.210613 O\n0.755445 0.957721 0.289387 O\n0.776528 0.566015 0.985968 O\n0.276528 0.433985 0.514032 O\n0.223472 0.433985 0.014032 O\n0.723472 0.566015 0.485968 O\n0.735679 0.957968 0.979731 O\n0.235679 0.042032 0.520269 O\n0.264321 0.042032 0.020269 O\n0.141605 0.704623 0.353145 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Be",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Be-O-Si",
"density": 3.681810641965769,
"density_atomic": 0.08543904280066687,
"volume": 936.3400779974045,
"volume_molar": 7.048464686162185,
"formula_full": "Be12 Si12 Ag8 O48",
"formula_reduced": "Be3Si3(AgO6)2",
"formula_anonymous": "A2B3C3D12",
"energy": -555.27281495,
"energy_per_atom": -6.940910186875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -522.29681495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.4362608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.169000Z",
"spacegroup": 14
},
{
"id": "mp-1093938",
"created_at": "2022-09-04T14:42:46.185146Z",
"structure_string": "Be2 Ag1 Pt1\n1.0\n-4.348211 4.949322 6.986273\n4.348211 -4.949322 6.986273\n4.348211 4.949322 -6.986273\nBe Ag Pt\n2 1 1\ndirect\n0.000000 0.262618 0.262618 Be\n0.000000 0.737382 0.737382 Be\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ag",
"Pt"
],
"chemical_system": "Ag-Be-Pt",
"density": 0.8862587936664266,
"density_atomic": 0.006651171213972408,
"volume": 601.3978397664796,
"volume_molar": 90.54256109584165,
"formula_full": "Be2 Ag1 Pt1",
"formula_reduced": "Be2AgPt",
"formula_anonymous": "ABC2",
"energy": -9.19751188,
"energy_per_atom": -2.29937797,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.19751188,
"band_gap": 1.3967999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.560000Z",
"spacegroup": 71
},
{
"id": "mp-12021",
"created_at": "2022-09-04T14:43:54.359405Z",
"structure_string": "Ag4 B4 F16\n1.0\n5.473025 0.000000 0.000000\n0.000000 6.921412 0.000000\n0.000000 0.000000 8.201327\nAg B F\n4 4 16\ndirect\n0.250000 0.170083 0.180434 Ag\n0.750000 0.829917 0.819566 Ag\n0.750000 0.670083 0.319566 Ag\n0.250000 0.329917 0.680434 Ag\n0.750000 0.181890 0.439358 B\n0.250000 0.818110 0.560642 B\n0.250000 0.681890 0.060642 B\n0.750000 0.318110 0.939358 B\n0.750000 0.413080 0.090644 F\n0.250000 0.586920 0.909356 F\n0.250000 0.913080 0.409356 F\n0.750000 0.086920 0.590644 F\n0.750000 0.451531 0.809017 F\n0.250000 0.548469 0.190983 F\n0.250000 0.951531 0.690983 F\n0.750000 0.048469 0.309017 F\n0.537958 0.197916 0.927180 F\n0.037958 0.802084 0.072820 F\n0.462042 0.697916 0.572820 F\n0.962042 0.302084 0.427180 F\n0.462042 0.802084 0.072820 F\n0.962042 0.197916 0.927180 F\n0.537958 0.302084 0.427180 F\n0.037958 0.697916 0.572820 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"B",
"F"
],
"chemical_system": "Ag-B-F",
"density": 4.162058028870671,
"density_atomic": 0.07725115474309029,
"volume": 310.6749676404892,
"volume_molar": 7.79553494058113,
"formula_full": "Ag4 B4 F16",
"formula_reduced": "AgBF4",
"formula_anonymous": "ABC4",
"energy": -130.54388739,
"energy_per_atom": -5.43932864125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.15188738999998,
"band_gap": 3.157,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017344,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.912000Z",
"spacegroup": 62
},
{
"id": "mp-5160",
"created_at": "2022-09-04T14:39:59.811825Z",
"structure_string": "Ag2 B2 F10\n1.0\n6.834240 0.000000 0.000000\n0.000000 6.834240 0.000000\n0.000000 0.000000 4.112447\nAg B F\n2 2 10\ndirect\n0.500000 0.000000 0.820315 Ag\n0.000000 0.500000 0.179685 Ag\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 B\n0.000000 0.500000 0.680114 F\n0.500000 0.000000 0.319886 F\n0.564894 0.657275 0.802215 F\n0.842725 0.064894 0.802215 F\n0.342725 0.564894 0.197785 F\n0.064894 0.157275 0.197785 F\n0.935106 0.842725 0.197785 F\n0.657275 0.435106 0.197785 F\n0.157275 0.935106 0.802215 F\n0.435106 0.342725 0.802215 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"B",
"F"
],
"chemical_system": "Ag-B-F",
"density": 3.694403685512546,
"density_atomic": 0.07288652917234993,
"volume": 192.07938914055202,
"volume_molar": 8.262350846422999,
"formula_full": "Ag2 B2 F10",
"formula_reduced": "AgBF5",
"formula_anonymous": "ABC5",
"energy": -72.12378269,
"energy_per_atom": -5.151698763571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.50378269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008215,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.103000Z",
"spacegroup": 85
}
]
}