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=1164",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1162",
"results": [
{
"id": "jvasp-42543",
"created_at": "2022-09-04T14:38:17.734649Z",
"updated_at": "2022-09-04T14:38:17.734672Z",
"structure_string": "Li2 Fe3 O3 F5\n1.0\n5.853781 0.000557 0.000506\n-2.926549 -5.085777 0.048397\n-2.926555 1.661896 -4.780917\nLi Fe O F\n2 3 3 5\ndirect\n0.741360 0.626644 0.377119 Li\n0.262404 0.626646 0.377117 Li\n0.225844 0.585070 0.866616 Fe\n0.507799 0.253107 0.762510 Fe\n0.764507 0.149663 0.379351 Fe\n0.754600 0.365209 0.610349 O\n0.755817 0.360863 0.150770 O\n0.220966 0.365220 0.610350 O\n0.230262 0.845319 0.615201 F\n0.723948 0.882045 0.136290 F\n0.278295 0.411629 0.144964 F\n0.739813 0.896556 0.583075 F\n0.294376 0.882025 0.136284 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.797766831278571,
"density_atomic": 0.09164991068317992,
"volume": 141.84410986431905,
"volume_molar": 6.570809196767952,
"formula_full": "Li2 Fe3 O3 F5",
"formula_reduced": "Li2Fe3O3F5",
"formula_anonymous": "A2B3C3D5",
"energy_above_hull": 1.5582706471153838,
"spacegroup": 8
},
{
"id": "jvasp-42305",
"created_at": "2022-09-04T14:38:17.900698Z",
"updated_at": "2022-09-04T14:38:17.900716Z",
"structure_string": "Li1 Co4 O8\n1.0\n-2.813989 -4.873971 -0.000000\n2.813989 -4.873971 -0.000000\n0.000000 -3.249314 4.714409\nLi Co O\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Li\n0.500000 -0.000000 0.500000 Co\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.732982 0.232982 0.301056 O\n0.763980 0.263980 0.704483 O\n0.236019 0.232443 0.295517 O\n0.267556 0.263980 0.704483 O\n0.732443 0.736019 0.295517 O\n0.763980 0.767556 0.704483 O\n0.236019 0.736019 0.295517 O\n0.267017 0.767018 0.698944 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.759625157168729,
"density_atomic": 0.10052654654990649,
"volume": 129.31907487288584,
"volume_molar": 5.9905974756730584,
"formula_full": "Li1 Co4 O8",
"formula_reduced": "Li(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.034707815384616,
"spacegroup": 166
},
{
"id": "jvasp-44629",
"created_at": "2022-09-04T14:38:13.525548Z",
"updated_at": "2022-09-04T14:38:13.525573Z",
"structure_string": "Mn1 Co4 O8\n1.0\n5.675760 0.003661 0.032900\n-2.834646 -4.899616 -0.026947\n-2.808991 1.470292 -4.691443\nMn Co O\n1 4 8\ndirect\n0.499999 -0.000001 0.000000 Mn\n-0.000002 0.500000 0.500000 Co\n-0.000000 -0.000001 -0.000000 Co\n0.499999 0.500000 0.000001 Co\n0.000002 0.500003 -0.000000 Co\n0.533989 0.273242 0.794545 O\n0.029406 0.763384 0.784300 O\n0.518473 0.763378 0.784320 O\n0.034694 0.279283 0.789884 O\n0.965305 0.720717 0.210116 O\n0.481527 0.236624 0.215679 O\n0.970596 0.236617 0.215701 O\n0.466010 0.726759 0.205454 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 5.345678288028059,
"density_atomic": 0.0999607151191634,
"volume": 130.05109041589657,
"volume_molar": 6.024507480584739,
"formula_full": "Mn1 Co4 O8",
"formula_reduced": "Mn(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.373349910875332,
"spacegroup": 12
},
{
"id": "jvasp-13346",
"created_at": "2022-09-04T14:36:56.507293Z",
"updated_at": "2022-09-04T14:36:56.507325Z",
"structure_string": "K6 Fe2 O5\n1.0\n6.616853 0.008689 0.014416\n-0.294173 6.590228 0.080667\n-0.294173 -3.006554 5.865001\nK Fe O\n6 2 5\ndirect\n0.990020 0.199433 0.795484 K\n0.174915 0.361215 0.361215 K\n0.499441 0.759265 0.248792 K\n0.499441 0.248792 0.759264 K\n0.835804 0.639921 0.639921 K\n0.990020 0.795484 0.199433 K\n0.336246 0.794491 0.794490 Fe\n0.689011 0.190014 0.190014 Fe\n0.217547 0.843135 0.562504 O\n0.217547 0.562504 0.843134 O\n0.602424 0.922543 0.922542 O\n0.768343 0.164250 0.447365 O\n0.768343 0.447365 0.164250 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Fe",
"O"
],
"chemical_system": "Fe-K-O",
"density": 2.749860000566587,
"density_atomic": 0.050502530748229794,
"volume": 257.412842631766,
"volume_molar": 11.924433628924797,
"formula_full": "K6 Fe2 O5",
"formula_reduced": "K6Fe2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.153327423076923,
"spacegroup": 8
},
{
"id": "jvasp-101947",
"created_at": "2022-09-04T14:36:44.689260Z",
"updated_at": "2022-09-04T14:36:44.689279Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.473569 0.021861 0.823857\n1.527602 4.764562 1.136806\n0.071083 -0.114394 7.167955\nCd H C O\n1 4 4 4\ndirect\n0.666403 0.239554 0.728428 Cd\n0.133436 0.976990 0.250497 H\n0.604315 0.027150 0.170926 H\n0.415354 0.488125 0.205474 H\n0.851351 0.454251 0.286783 H\n0.497199 0.880897 0.469929 C\n0.452357 0.879723 0.264649 C\n0.639198 0.595189 0.192481 C\n0.886264 0.599011 0.987773 C\n0.335032 0.124274 0.532176 O\n0.705093 0.668224 0.564289 O\n-0.029147 0.814126 0.896627 O\n0.031395 0.357284 0.923313 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.2038670359468435,
"density_atomic": 0.10977780487412098,
"volume": 118.42102340183175,
"volume_molar": 5.48575439899296,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.930437980769232,
"spacegroup": 5
},
{
"id": "jvasp-10822",
"created_at": "2022-09-04T14:36:50.039429Z",
"updated_at": "2022-09-04T14:36:50.039464Z",
"structure_string": "Ca1 Cr4 S8\n1.0\n7.007911 0.081133 0.057370\n3.574219 6.190728 -0.000000\n3.574219 2.063576 5.836675\nCa Cr S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Ca\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.251709 0.265656 0.265656 S\n0.251708 0.265656 0.716980 S\n0.251709 0.716980 0.265656 S\n0.721251 0.259583 0.259583 S\n0.278748 0.740417 0.740418 S\n0.748291 0.734344 0.283020 S\n0.748291 0.283020 0.734345 S\n0.748291 0.734344 0.734345 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"S"
],
"chemical_system": "Ca-Cr-S",
"density": 3.342425403604168,
"density_atomic": 0.05185896921382542,
"volume": 250.6798765397413,
"volume_molar": 11.612534632474953,
"formula_full": "Ca1 Cr4 S8",
"formula_reduced": "Ca(CrS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.132506155384616,
"spacegroup": 166
},
{
"id": "jvasp-52375",
"created_at": "2022-09-04T14:36:55.497778Z",
"updated_at": "2022-09-04T14:36:55.497801Z",
"structure_string": "Hf1 Mn6 Sn6\n1.0\n2.698708 -4.674301 -0.000000\n2.698708 4.674301 0.000000\n-0.000000 0.000000 8.939219\nHf Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.752704 Mn\n0.000000 0.500000 0.247297 Mn\n0.500000 0.000000 0.752704 Mn\n0.500000 0.000000 0.247297 Mn\n0.500000 0.500000 0.752704 Mn\n0.500000 0.500000 0.247297 Mn\n0.333333 0.666667 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.674006 Sn\n0.000000 0.000000 0.325994 Sn\n0.666667 0.333333 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Sn"
],
"chemical_system": "Hf-Mn-Sn",
"density": 8.985482838285119,
"density_atomic": 0.05764228758976702,
"volume": 225.52887027175916,
"volume_molar": 10.447435401694715,
"formula_full": "Hf1 Mn6 Sn6",
"formula_reduced": "Hf(MnSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.158444357559681,
"spacegroup": 191
},
{
"id": "jvasp-103904",
"created_at": "2022-09-04T14:37:01.274159Z",
"updated_at": "2022-09-04T14:37:01.274185Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.430100 0.152223 0.614198\n1.437694 4.288580 1.272827\n0.276481 0.179445 6.525107\nZn H C O\n1 4 4 4\ndirect\n0.433193 0.790289 0.262409 Zn\n0.162346 0.050322 0.844826 H\n0.255712 0.375467 0.663625 H\n0.623790 0.694044 0.710133 H\n0.884045 0.633807 0.901910 H\n0.991962 0.200216 0.533577 C\n0.059601 0.275999 0.726019 C\n0.785420 0.508234 0.829774 C\n0.578021 0.357753 0.006137 C\n0.183605 0.929312 0.505143 O\n0.776325 0.386618 0.408300 O\n0.345036 0.529327 0.108213 O\n0.641840 0.058666 0.043828 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.4902753046885735,
"density_atomic": 0.1074261644983962,
"volume": 121.01334959412128,
"volume_molar": 5.605841731499132,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.95835956923077,
"spacegroup": 1
},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Br"
],
"chemical_system": "Br-Hg-Pd-Rb",
"density": 5.287629048457458,
"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
"volume_molar": 19.170546476984736,
"formula_full": "Rb2 Hg2 Pd1 Br8",
"formula_reduced": "Rb2Hg2PdBr8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-57887",
"created_at": "2022-09-04T14:36:50.874657Z",
"updated_at": "2022-09-04T14:36:50.874688Z",
"structure_string": "Ba1 Co4 O8\n1.0\n2.666820 -4.619068 -0.000000\n2.666820 4.619068 -0.000000\n0.000000 0.000000 7.198612\nBa Co O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.251068 Co\n0.666667 0.333333 0.251068 Co\n0.333333 0.666667 0.748931 Co\n0.666667 0.333333 0.748931 Co\n0.641221 0.641221 0.310300 O\n-0.000000 0.358779 0.310300 O\n0.358779 -0.000000 0.310300 O\n0.358779 0.358779 0.689700 O\n0.641221 -0.000000 0.689700 O\n-0.000000 0.641221 0.689700 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Co",
"O"
],
"chemical_system": "Ba-Co-O",
"density": 4.691456128498972,
"density_atomic": 0.07330211934114224,
"volume": 177.34821471530765,
"volume_molar": 8.215507019617585,
"formula_full": "Ba1 Co4 O8",
"formula_reduced": "Ba(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.948774428461539,
"spacegroup": 162
},
{
"id": "jvasp-32687",
"created_at": "2022-09-04T14:36:44.643968Z",
"updated_at": "2022-09-04T14:36:44.643995Z",
"structure_string": "Co1 Sn1 C4 Cl3 O4\n1.0\n6.376165 -0.002055 -1.120337\n-1.334865 6.234734 -1.120848\n-0.001147 -0.001934 6.473672\nCo Sn C Cl O\n1 1 4 3 4\ndirect\n0.270842 0.270852 0.270840 Co\n-0.007478 -0.007494 -0.007479 Sn\n0.299386 0.053635 0.406939 C\n0.406976 0.299395 0.053619 C\n0.053622 0.406951 0.299392 C\n0.468380 0.468427 0.468400 C\n0.672169 0.878360 0.105963 Cl\n0.105918 0.672153 0.878356 Cl\n0.878378 0.105911 0.672184 Cl\n0.496812 0.321009 0.917247 O\n0.594920 0.594975 0.594955 O\n0.917247 0.496757 0.321022 O\n0.321015 0.917266 0.496751 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Co",
"Sn",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-O-Sn",
"density": 2.555845112563648,
"density_atomic": 0.05052273921222027,
"volume": 257.3098807131899,
"volume_molar": 11.919664004566451,
"formula_full": "Co1 Sn1 C4 Cl3 O4",
"formula_reduced": "CoSnC4Cl3O4",
"formula_anonymous": "ABC3D4E4",
"energy_above_hull": 3.510817600192308,
"spacegroup": 146
},
{
"id": "jvasp-101900",
"created_at": "2022-09-04T14:36:41.263510Z",
"updated_at": "2022-09-04T14:36:41.263532Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.452523 0.066254 0.491214\n1.379713 4.251248 0.586566\n0.226760 0.041525 7.595813\nZn H C O\n1 4 4 4\ndirect\n0.328251 0.829714 0.724747 Zn\n0.226370 0.124966 0.302973 H\n0.822151 0.990835 0.298837 H\n0.834698 0.668435 0.150655 H\n0.430433 0.534339 0.146549 H\n0.703785 0.324272 0.486884 C\n0.892176 0.208516 0.304068 C\n0.764632 0.450766 0.145437 C\n0.952945 0.335005 0.962621 C\n0.742440 0.118043 0.624097 O\n0.517696 0.618587 0.495915 O\n0.914234 0.541201 0.825400 O\n0.139033 0.040678 0.953604 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.732828512169469,
"density_atomic": 0.11788948986543422,
"volume": 110.27276489905029,
"volume_molar": 5.108293170895909,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957128030769231,
"spacegroup": 2
}
]
}