HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=345",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=343",
"results": [
{
"id": "jvasp-32267",
"created_at": "2022-09-04T14:38:04.993590Z",
"updated_at": "2022-09-04T14:38:04.993614Z",
"structure_string": "H8 Se4 O12\n1.0\n5.065709 0.000000 0.000000\n0.000000 5.882237 0.000000\n0.000000 0.000000 9.011356\nH Se O\n8 4 12\ndirect\n0.340686 0.932583 0.545253 H\n0.840686 0.067418 0.954748 H\n0.159314 0.432583 0.454748 H\n0.659314 0.567418 0.045252 H\n0.678658 0.806959 0.385528 H\n0.178658 0.193041 0.114472 H\n0.821342 0.306959 0.614472 H\n0.321342 0.693042 0.885529 H\n0.894817 0.755761 0.788749 Se\n0.394817 0.244239 0.711251 Se\n0.105183 0.744240 0.288749 Se\n0.605183 0.255761 0.211251 Se\n0.646508 0.547068 0.158590 O\n0.146508 0.452932 0.341410 O\n0.853492 0.047068 0.841410 O\n0.353492 0.952932 0.658591 O\n0.357278 0.877849 0.374755 O\n0.857278 0.122152 0.125245 O\n0.865354 0.822098 0.423840 O\n0.642722 0.622152 0.874755 O\n0.365354 0.177902 0.076160 O\n0.142722 0.377849 0.625245 O\n0.134646 0.677903 0.923840 O\n0.634646 0.322098 0.576161 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"H",
"Se",
"O"
],
"chemical_system": "H-O-Se",
"density": 3.190352154575264,
"density_atomic": 0.0893795858305531,
"volume": 268.5176908908427,
"volume_molar": 6.7377138795617695,
"formula_full": "H8 Se4 O12",
"formula_reduced": "H2SeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4004473111111118,
"spacegroup": 19
},
{
"id": "jvasp-49219",
"created_at": "2022-09-04T14:38:04.274619Z",
"updated_at": "2022-09-04T14:38:04.274646Z",
"structure_string": "Rb6 B6 S12\n1.0\n9.005831 -0.071978 -3.510721\n-5.114921 7.412674 -3.510721\n-0.038152 -0.071977 9.665851\nRb B S\n6 6 12\ndirect\n0.697354 0.802645 0.250000 Rb\n0.802645 0.249999 0.697354 Rb\n0.302645 0.197354 0.750000 Rb\n0.750000 0.302645 0.197354 Rb\n0.197354 0.749999 0.302645 Rb\n0.250000 0.697354 0.802645 Rb\n0.862837 0.749999 0.637162 B\n0.750000 0.637162 0.862837 B\n0.637163 0.862836 0.750000 B\n0.137163 0.250000 0.362837 B\n0.362837 0.137163 0.250000 B\n0.250000 0.362837 0.137163 B\n0.250000 0.133183 0.366817 S\n0.973909 0.749999 0.526090 S\n0.750000 0.526090 0.973909 S\n0.526090 0.973909 0.750000 S\n0.026090 0.250000 0.473909 S\n0.250000 0.473909 0.026090 S\n0.473909 0.026090 0.250000 S\n0.750000 0.866816 0.633182 S\n0.866817 0.633182 0.750000 S\n0.366817 0.250000 0.133183 S\n0.133183 0.366817 0.250000 S\n0.633183 0.749999 0.866817 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"B",
"S"
],
"chemical_system": "B-Rb-S",
"density": 2.5083948477307487,
"density_atomic": 0.037668524070783194,
"volume": 637.136723352936,
"volume_molar": 15.98719596415233,
"formula_full": "Rb6 B6 S12",
"formula_reduced": "RbBS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5860031458333337,
"spacegroup": 167
},
{
"id": "jvasp-44648",
"created_at": "2022-09-04T14:38:11.461343Z",
"updated_at": "2022-09-04T14:38:11.461368Z",
"structure_string": "K4 V2 P2 C2 O14\n1.0\n0.000000 5.548748 -0.058899\n6.670525 0.000000 0.000000\n0.000000 -0.080823 -9.661845\nK V P C O\n4 2 2 2 14\ndirect\n0.244198 0.475410 0.240853 K\n0.244198 0.024590 0.240853 K\n0.755803 0.524591 0.759147 K\n0.755803 0.975410 0.759147 K\n0.775680 0.750001 0.358163 V\n0.224321 0.250000 0.641837 V\n0.722187 0.250000 0.432759 P\n0.277814 0.750001 0.567240 P\n0.725686 0.750001 0.102783 C\n0.274315 0.250000 0.897216 C\n0.453166 0.250000 0.806133 O\n0.229981 0.940446 0.655130 O\n0.229981 0.559555 0.655130 O\n0.890490 0.250000 0.561091 O\n0.547369 0.750001 0.520627 O\n0.452631 0.250000 0.479373 O\n0.936182 0.750001 0.165519 O\n0.770020 0.440446 0.344870 O\n0.770020 0.059555 0.344870 O\n0.546835 0.750001 0.193867 O\n0.063819 0.250000 0.834481 O\n0.303733 0.250000 0.024844 O\n0.109511 0.750001 0.438909 O\n0.696268 0.750001 0.975156 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-V",
"density": 2.638303479478798,
"density_atomic": 0.06710541964834948,
"volume": 357.6462247873045,
"volume_molar": 8.97414961646562,
"formula_full": "K4 V2 P2 C2 O14",
"formula_reduced": "K2VPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.708373349999999,
"spacegroup": 11
},
{
"id": "jvasp-55275",
"created_at": "2022-09-04T14:38:10.621719Z",
"updated_at": "2022-09-04T14:38:10.621742Z",
"structure_string": "Sr12 Ga2 N10\n1.0\n3.341383 -5.787447 0.000000\n3.341383 5.787447 -0.000000\n-0.000000 0.000000 13.022189\nSr Ga N\n12 2 10\ndirect\n0.594213 0.594213 0.876166 Sr\n0.594213 0.594213 0.623834 Sr\n-0.000000 0.405786 0.623834 Sr\n-0.000000 0.594214 0.123834 Sr\n0.405786 0.405786 0.123834 Sr\n0.594214 -0.000000 0.376166 Sr\n0.594214 -0.000000 0.123834 Sr\n0.405786 -0.000000 0.623834 Sr\n-0.000000 0.594214 0.376166 Sr\n-0.000000 0.405786 0.876166 Sr\n0.405786 -0.000000 0.876166 Sr\n0.405786 0.405786 0.376166 Sr\n0.000000 0.000000 0.750000 Ga\n0.000000 0.000000 0.250000 Ga\n0.666667 0.333332 0.000000 N\n0.286311 -0.000000 0.250000 N\n0.333332 0.666667 0.000000 N\n0.286310 0.286310 0.750000 N\n0.713689 0.713689 0.250000 N\n-0.000000 0.286311 0.250000 N\n0.713689 -0.000001 0.750000 N\n0.666667 0.333332 0.500000 N\n-0.000001 0.713689 0.750000 N\n0.333332 0.666667 0.500000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 4.388181088239101,
"density_atomic": 0.0476523108531313,
"volume": 503.64818768118414,
"volume_molar": 12.63766783222912,
"formula_full": "Sr12 Ga2 N10",
"formula_reduced": "Sr6GaN5",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.165834702916666,
"spacegroup": 193
},
{
"id": "jvasp-43059",
"created_at": "2022-09-04T14:38:10.686887Z",
"updated_at": "2022-09-04T14:38:10.686911Z",
"structure_string": "Li2 Cr6 O16\n1.0\n1.960487 4.573546 0.074813\n-0.017171 -0.011272 12.311334\n4.975981 -0.020480 0.074813\nLi Cr O\n2 6 16\ndirect\n-0.000001 0.000001 -0.000001 Li\n0.000000 0.499999 0.000000 Li\n0.641884 0.127659 0.641883 Cr\n0.641862 0.627645 0.641861 Cr\n0.358140 0.372353 0.358139 Cr\n0.358117 0.872341 0.358116 Cr\n0.000012 0.250006 0.000012 Cr\n-0.000012 0.749994 -0.000012 Cr\n0.780995 0.635024 0.268686 O\n0.781015 0.135037 0.268708 O\n0.731292 0.864963 0.218985 O\n0.731316 0.364975 0.219007 O\n0.268686 0.635024 0.780994 O\n0.268708 0.135037 0.781014 O\n0.228749 0.770733 0.228748 O\n0.259829 0.985836 0.259828 O\n0.771230 0.729253 0.771229 O\n0.771252 0.229268 0.771251 O\n0.219007 0.364975 0.731315 O\n0.259852 0.485848 0.259852 O\n0.740149 0.514150 0.740149 O\n0.740173 0.014165 0.740172 O\n0.228772 0.270745 0.228771 O\n0.218985 0.864963 0.731291 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.442261919614233,
"density_atomic": 0.08550583736963434,
"volume": 280.682591251052,
"volume_molar": 7.042958639147415,
"formula_full": "Li2 Cr6 O16",
"formula_reduced": "LiCr3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.323447516666667,
"spacegroup": 12
},
{
"id": "jvasp-42997",
"created_at": "2022-09-04T14:38:10.617996Z",
"updated_at": "2022-09-04T14:38:10.618012Z",
"structure_string": "Fe2 Ni2 P4 O16\n1.0\n0.000000 4.732915 -0.021332\n5.735550 0.000000 0.000000\n0.000000 0.010993 -9.692121\nFe Ni P O\n2 2 4 16\ndirect\n0.061780 0.750000 0.271287 Fe\n0.938219 0.250000 0.728713 Fe\n0.567523 0.250000 0.224003 Ni\n0.432476 0.750000 0.775996 Ni\n0.615676 0.750000 0.085208 P\n0.107827 0.250000 0.406090 P\n0.892171 0.750000 0.593909 P\n0.384322 0.250000 0.914792 P\n0.232780 0.040760 0.839452 O\n0.232780 0.459240 0.839452 O\n0.738366 0.539587 0.666841 O\n0.738366 0.960413 0.666841 O\n0.212125 0.750000 0.614389 O\n0.162615 0.250000 0.561967 O\n0.837383 0.750000 0.438032 O\n0.767218 0.540761 0.160548 O\n0.261633 0.460413 0.333158 O\n0.261633 0.039587 0.333158 O\n0.702272 0.250000 0.887607 O\n0.767218 0.959240 0.160548 O\n0.297726 0.750000 0.112393 O\n0.322004 0.250000 0.069458 O\n0.787873 0.250000 0.385610 O\n0.677995 0.750000 0.930541 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Ni-O-P",
"density": 3.843430967659333,
"density_atomic": 0.09122016626522764,
"volume": 263.09971777752173,
"volume_molar": 6.601764726552127,
"formula_full": "Fe2 Ni2 P4 O16",
"formula_reduced": "FeNi(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.876374741666667,
"spacegroup": 11
},
{
"id": "jvasp-42201",
"created_at": "2022-09-04T14:38:10.554619Z",
"updated_at": "2022-09-04T14:38:10.554653Z",
"structure_string": "Fe8 O14 F2\n1.0\n-4.303336 4.303336 5.734500\n0.064390 4.363306 -2.864091\n-4.363306 -0.064390 -2.864091\nFe O F\n8 14 2\ndirect\n0.619688 0.889724 0.871212 Fe\n0.880314 0.628789 0.610277 Fe\n0.500001 0.500000 0.500000 Fe\n0.250001 0.772442 0.727559 Fe\n0.750001 0.227559 0.272442 Fe\n0.119687 0.371212 0.389724 Fe\n0.380313 0.110277 0.128789 Fe\n0.000000 0.000000 0.000000 Fe\n0.000152 0.696428 0.304826 O\n-0.000151 0.303572 0.695174 O\n0.500152 0.804827 0.196428 O\n0.250000 0.059325 0.440675 O\n0.776755 0.024837 0.030831 O\n0.528087 0.274459 0.278208 O\n0.028087 0.778208 0.774459 O\n0.471915 0.725542 0.721792 O\n0.971915 0.221792 0.225542 O\n0.723246 0.469170 0.475163 O\n0.223246 0.975163 0.969170 O\n0.750001 0.940675 0.559326 O\n0.499849 0.195174 0.803573 O\n0.276755 0.530831 0.524837 O\n0.750001 0.549839 0.950162 F\n0.250000 0.450162 0.049839 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.391320014971118,
"density_atomic": 0.1099423865407866,
"volume": 218.29615269536143,
"volume_molar": 5.4775423287413325,
"formula_full": "Fe8 O14 F2",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.971064731875,
"spacegroup": 15
},
{
"id": "jvasp-51677",
"created_at": "2022-09-04T14:38:11.824637Z",
"updated_at": "2022-09-04T14:38:11.824670Z",
"structure_string": "Sr4 H8 Cl8 O4\n1.0\n4.045157 0.000000 0.000000\n0.000000 8.110961 0.000000\n0.000000 0.000000 12.091593\nSr H Cl O\n4 8 8 4\ndirect\n0.750000 0.288208 0.483348 Sr\n0.750000 0.788208 0.016651 Sr\n0.250000 0.711792 0.516651 Sr\n0.250000 0.211792 -0.016651 Sr\n0.750000 0.100981 0.245094 H\n0.250000 0.399019 0.745094 H\n0.250000 0.899019 0.754906 H\n0.750000 0.600981 0.254906 H\n0.750000 0.058244 0.832062 H\n0.250000 0.441756 0.332063 H\n0.250000 0.941756 0.167937 H\n0.750000 0.558244 0.667937 H\n0.250000 0.257289 0.694170 Cl\n0.250000 0.757288 0.805830 Cl\n0.750000 0.742711 0.305830 Cl\n0.750000 0.242711 0.194170 Cl\n0.250000 0.542898 0.114802 Cl\n0.250000 0.042898 0.385198 Cl\n0.750000 0.457102 0.885197 Cl\n0.750000 -0.042898 0.614802 Cl\n0.750000 0.555918 0.587006 O\n0.250000 0.444082 0.412994 O\n0.250000 0.944082 0.087006 O\n0.750000 0.055918 0.912993 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.9557258112512392,
"density_atomic": 0.06049507590339682,
"volume": 396.7265044567436,
"volume_molar": 9.954761887755323,
"formula_full": "Sr4 H8 Cl8 O4",
"formula_reduced": "SrH2Cl2O",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.064676324166667,
"spacegroup": 62
},
{
"id": "jvasp-59100",
"created_at": "2022-09-04T14:38:18.131259Z",
"updated_at": "2022-09-04T14:38:18.131269Z",
"structure_string": "Lu4 P4 S16\n1.0\n0.000000 8.129097 0.322410\n6.447494 0.000000 0.000000\n0.000000 -6.359413 -10.784299\nLu P S\n4 4 16\ndirect\n0.561480 0.326035 0.166631 Lu\n0.438521 0.826034 0.333369 Lu\n0.438521 0.673965 0.833370 Lu\n0.561480 0.173965 0.666631 Lu\n0.702388 0.225655 0.967323 P\n0.297613 0.725654 0.532677 P\n0.297613 0.774345 0.032677 P\n0.702388 0.274345 0.467323 P\n0.244276 0.553948 0.130338 S\n0.755725 0.053949 0.369662 S\n0.735563 0.953389 0.892286 S\n0.264439 0.453389 0.607714 S\n0.264438 0.046610 0.107714 S\n0.735562 0.546610 0.392286 S\n0.876141 0.245409 0.157889 S\n0.411800 0.266982 0.910619 S\n0.123860 0.754590 0.842112 S\n0.876141 0.254590 0.657889 S\n0.244276 0.946051 0.630338 S\n0.588201 0.766982 0.589381 S\n0.588200 0.733017 0.089381 S\n0.411800 0.233017 0.410619 S\n0.123860 0.745409 0.342112 S\n0.755725 0.446051 0.869662 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"P",
"S"
],
"chemical_system": "Lu-P-S",
"density": 4.021325731836778,
"density_atomic": 0.04347744055825935,
"volume": 552.0104148688383,
"volume_molar": 13.85118508052559,
"formula_full": "Lu4 P4 S16",
"formula_reduced": "LuPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0181602083333336,
"spacegroup": 14
},
{
"id": "jvasp-5749",
"created_at": "2022-09-04T14:38:10.458774Z",
"updated_at": "2022-09-04T14:38:10.458794Z",
"structure_string": "Dy8 Br16\n1.0\n6.635577 0.000000 0.000000\n0.000000 7.608541 0.000000\n0.000000 0.000000 12.858046\nDy Br\n8 16\ndirect\n0.675083 0.048668 0.096296 Dy\n0.175083 0.951332 0.403704 Dy\n0.824918 0.548668 0.903704 Dy\n0.324917 0.451332 0.596297 Dy\n0.324917 0.951332 0.903704 Dy\n0.824918 0.048668 0.596297 Dy\n0.175083 0.451332 0.096296 Dy\n0.675083 0.548668 0.403704 Dy\n0.702930 0.380852 0.704888 Br\n0.202930 0.619148 0.795112 Br\n0.202930 0.119148 0.704888 Br\n0.702930 0.880852 0.795112 Br\n0.297070 0.619148 0.295112 Br\n0.797070 0.380852 0.204888 Br\n0.019538 0.296248 0.453570 Br\n0.980462 0.703752 0.546430 Br\n0.480462 0.796247 0.546430 Br\n0.980462 0.203752 0.953570 Br\n0.297070 0.119148 0.204888 Br\n0.480462 0.296248 0.953570 Br\n0.519538 0.203752 0.453570 Br\n0.019538 0.796247 0.046430 Br\n0.519538 0.703752 0.046430 Br\n0.797070 0.880852 0.295112 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Dy",
"Br"
],
"chemical_system": "Br-Dy",
"density": 6.59561225402641,
"density_atomic": 0.036970573556214116,
"volume": 649.1649355536172,
"volume_molar": 16.28901090983421,
"formula_full": "Dy8 Br16",
"formula_reduced": "DyBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 61
},
{
"id": "jvasp-14396",
"created_at": "2022-09-04T14:38:11.297365Z",
"updated_at": "2022-09-04T14:38:11.297388Z",
"structure_string": "S8 N8 F8\n1.0\n9.141725 -0.000000 -0.000000\n0.000000 9.141725 -0.000000\n-0.000000 0.000000 4.165396\nS N F\n8 8 8\ndirect\n0.287413 0.473812 0.415365 S\n0.712588 0.526189 0.415365 S\n0.473812 0.712588 0.584636 S\n0.526189 0.287413 0.584636 S\n0.973812 0.787413 0.915366 S\n0.212588 0.973812 0.084635 S\n0.787413 0.026189 0.084635 S\n0.026189 0.212588 0.915366 S\n0.616454 0.630031 0.666378 N\n0.130031 0.116454 0.166378 N\n0.883546 0.130031 0.833623 N\n0.116454 0.869970 0.833623 N\n0.869970 0.883546 0.166378 N\n0.383546 0.369969 0.666378 N\n0.369969 0.616454 0.333623 N\n0.630031 0.383546 0.333623 N\n0.981811 0.331577 0.204826 F\n0.018189 0.668423 0.204826 F\n0.668423 0.981811 0.795175 F\n0.831578 0.481811 0.704827 F\n0.481811 0.168423 0.295174 F\n0.518190 0.831578 0.295174 F\n0.331577 0.018189 0.795175 F\n0.168423 0.518190 0.704827 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"S",
"N",
"F"
],
"chemical_system": "F-N-S",
"density": 2.483178725464956,
"density_atomic": 0.06894434350069617,
"volume": 348.10687550832444,
"volume_molar": 8.734785849312193,
"formula_full": "S8 N8 F8",
"formula_reduced": "SNF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9372211775,
"spacegroup": 114
},
{
"id": "jvasp-44574",
"created_at": "2022-09-04T14:38:10.614672Z",
"updated_at": "2022-09-04T14:38:10.614693Z",
"structure_string": "Na4 Mn2 As2 C2 O14\n1.0\n0.000000 5.311906 -0.108412\n6.650796 0.000000 0.000000\n0.000000 -0.156654 -9.118072\nNa Mn As C O\n4 2 2 2 14\ndirect\n0.785039 0.498603 0.221187 Na\n0.785039 0.001398 0.221187 Na\n0.214962 0.501398 0.778812 Na\n0.214962 0.998603 0.778812 Na\n0.228661 0.250000 0.349218 Mn\n0.771340 0.750000 0.650782 Mn\n0.304932 0.750000 0.428082 As\n0.695069 0.250000 0.571918 As\n0.302543 0.250000 0.072254 C\n0.697459 0.750000 0.927746 C\n0.497523 0.750000 0.848154 O\n0.773898 0.044577 0.675853 O\n0.773898 0.455423 0.675853 O\n0.162326 0.750000 0.595585 O\n0.367489 0.250000 0.545784 O\n0.632513 0.750000 0.454215 O\n0.089114 0.250000 0.150364 O\n0.226103 0.544578 0.324146 O\n0.226103 0.955423 0.324146 O\n0.502478 0.250000 0.151845 O\n0.910887 0.750000 0.849635 O\n0.704212 0.750000 0.065387 O\n0.837676 0.250000 0.404415 O\n0.295789 0.250000 0.934613 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Mn-Na-O",
"density": 3.090278450661784,
"density_atomic": 0.07447867824391995,
"volume": 322.2398754365547,
"volume_molar": 8.085724534849163,
"formula_full": "Na4 Mn2 As2 C2 O14",
"formula_reduced": "Na2MnAsCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.712666790948276,
"spacegroup": 11
}
]
}