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=energy_above_hull&page=1139",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1137",
"results": [
{
"id": "jvasp-30692",
"created_at": "2022-09-04T14:37:59.347501Z",
"updated_at": "2022-09-04T14:37:59.347528Z",
"structure_string": "Ti6 Al2 F30\n1.0\n9.353043 0.164456 0.000000\n-1.461123 5.743841 0.000000\n0.000000 0.000000 9.775560\nTi Al F\n6 2 30\ndirect\n0.166667 0.000000 0.500000 Ti\n0.498239 0.969261 0.444544 Ti\n0.835094 0.030740 0.555456 Ti\n0.166667 0.000000 0.000000 Ti\n0.498239 0.969261 0.055456 Ti\n0.835094 0.030740 0.944544 Ti\n0.894062 0.444176 0.250000 Al\n0.439271 0.555824 0.750000 Al\n0.526589 0.251185 0.120004 F\n0.870339 0.274229 0.098302 F\n0.214081 0.245723 0.387148 F\n0.526589 0.251185 0.379996 F\n0.870339 0.274229 0.401698 F\n0.119253 0.754277 0.612852 F\n0.364220 0.093378 0.918694 F\n0.806744 0.748815 0.620004 F\n0.041196 0.164665 0.896121 F\n0.214081 0.245723 0.112852 F\n0.650168 0.122887 0.915466 F\n0.292138 0.835336 0.103879 F\n0.462994 0.725772 0.598302 F\n0.806744 0.748815 0.879996 F\n0.683165 0.877114 0.415466 F\n0.119253 0.754277 0.887148 F\n0.969113 0.906623 0.418694 F\n0.683165 0.877114 0.084534 F\n0.292138 0.835336 0.396121 F\n0.650168 0.122887 0.584534 F\n0.364220 0.093378 0.581306 F\n0.041196 0.164665 0.603879 F\n0.834792 0.133161 0.750000 F\n0.581546 0.433093 0.750000 F\n0.266545 0.401709 0.750000 F\n0.751788 0.566908 0.250000 F\n0.498541 0.866840 0.250000 F\n0.066789 0.598291 0.250000 F\n0.462994 0.725772 0.901698 F\n0.969113 0.906623 0.081306 F\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ti",
"Al",
"F"
],
"chemical_system": "Al-F-Ti",
"density": 2.868059491007758,
"density_atomic": 0.07203580638393298,
"volume": 527.5154386065927,
"volume_molar": 8.359926906215895,
"formula_full": "Ti6 Al2 F30",
"formula_reduced": "Ti3AlF15",
"formula_anonymous": "AB3C15",
"energy_above_hull": 0.5510532651315788,
"spacegroup": 11
},
{
"id": "jvasp-106248",
"created_at": "2022-09-04T14:38:39.712958Z",
"updated_at": "2022-09-04T14:38:39.712978Z",
"structure_string": "Ho2 Al1 Cd1\n1.0\n4.465447 -0.000000 2.578127\n1.488482 4.210063 2.578127\n-0.000000 -0.000000 5.156253\nHo Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.749999 0.750000 Ho\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Cd"
],
"chemical_system": "Al-Cd-Ho",
"density": 8.038380653334269,
"density_atomic": 0.041264086852213035,
"volume": 96.936593176676,
"volume_molar": 14.59414522261996,
"formula_full": "Ho2 Al1 Cd1",
"formula_reduced": "Ho2AlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5511009208333333,
"spacegroup": 225
},
{
"id": "jvasp-7724",
"created_at": "2022-09-04T14:37:04.922880Z",
"updated_at": "2022-09-04T14:37:04.922907Z",
"structure_string": "Li1 Mg1 Sn1 Pt1\n1.0\n3.972215 0.000000 2.293359\n1.324071 3.745040 2.293359\n0.000000 -0.000000 4.586719\nLi Mg Sn Pt\n1 1 1 1\ndirect\n0.750001 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Sn",
"Pt"
],
"chemical_system": "Li-Mg-Pt-Sn",
"density": 8.397058918680406,
"density_atomic": 0.058623082304407735,
"volume": 68.23250915449134,
"volume_molar": 10.272644363408384,
"formula_full": "Li1 Mg1 Sn1 Pt1",
"formula_reduced": "LiMgSnPt",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5511555375,
"spacegroup": 216
},
{
"id": "jvasp-90853",
"created_at": "2022-09-04T14:36:18.268302Z",
"updated_at": "2022-09-04T14:36:18.268325Z",
"structure_string": "Tb4 Pd4\n1.0\n0.000000 4.580386 0.000000\n0.000000 -0.000000 5.568000\n6.997422 0.000000 0.000000\nTb Pd\n4 4\ndirect\n0.250000 0.355670 0.683150 Tb\n0.250000 0.144330 0.183150 Tb\n0.750001 0.644330 0.316850 Tb\n0.750001 0.855670 0.816849 Tb\n0.250000 0.843754 0.542849 Pd\n0.250000 0.656246 0.042849 Pd\n0.750001 0.156246 0.457151 Pd\n0.750001 0.343754 0.957151 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Pd"
],
"chemical_system": "Pd-Tb",
"density": 9.87600267353448,
"density_atomic": 0.044828129278854253,
"volume": 178.45937648291866,
"volume_molar": 13.433843564024624,
"formula_full": "Tb4 Pd4",
"formula_reduced": "TbPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.55125205,
"spacegroup": 62
},
{
"id": "jvasp-115413",
"created_at": "2022-09-04T14:38:46.262919Z",
"updated_at": "2022-09-04T14:38:46.262932Z",
"structure_string": "Li1 Mg1 As1\n1.0\n4.703080 -0.551016 0.000000\n-1.637710 4.444905 0.000000\n0.000000 0.000000 3.091127\nLi Mg As\n1 1 1\ndirect\n0.107845 0.420439 0.000000 Li\n-0.226279 -0.245216 0.000000 Mg\n0.435589 0.093034 0.000000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mg",
"As"
],
"chemical_system": "As-Li-Mg",
"density": 2.851303563279533,
"density_atomic": 0.04852031527554404,
"volume": 61.8297713640807,
"volume_molar": 12.41158621043704,
"formula_full": "Li1 Mg1 As1",
"formula_reduced": "LiMgAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5512636000000002,
"spacegroup": 38
},
{
"id": "jvasp-55634",
"created_at": "2022-09-04T14:37:15.555837Z",
"updated_at": "2022-09-04T14:37:15.555861Z",
"structure_string": "P4 Cl20\n1.0\n8.981944 -0.000000 -0.000000\n0.000000 8.981944 -0.000000\n0.000000 0.000000 7.635596\nP Cl\n4 20\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 0.613835 P\n-0.000000 0.500000 0.386166 P\n0.921030 0.728224 0.391403 Cl\n0.771776 0.421030 0.391403 Cl\n0.271776 0.921030 0.608598 Cl\n0.421030 0.228224 0.608598 Cl\n0.578969 0.771776 0.608598 Cl\n0.728224 0.078970 0.608598 Cl\n-0.000000 0.500000 0.678290 Cl\n0.500000 0.000000 0.321710 Cl\n-0.000000 0.500000 0.103721 Cl\n0.328421 0.551037 0.852432 Cl\n0.078970 0.271776 0.391403 Cl\n0.051037 0.171578 0.852432 Cl\n0.948963 0.828421 0.852432 Cl\n0.671578 0.448963 0.852432 Cl\n0.171578 0.948963 0.147569 Cl\n0.448963 0.328421 0.147569 Cl\n0.551037 0.671578 0.147569 Cl\n0.828421 0.051037 0.147569 Cl\n0.500000 0.000000 0.896280 Cl\n0.228224 0.578969 0.391403 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.24536544167127,
"density_atomic": 0.03896077739472012,
"volume": 616.0041355656427,
"volume_molar": 15.456931721326761,
"formula_full": "P4 Cl20",
"formula_reduced": "PCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5514826395833333,
"spacegroup": 85
},
{
"id": "jvasp-14109",
"created_at": "2022-09-04T14:38:17.643334Z",
"updated_at": "2022-09-04T14:38:17.643362Z",
"structure_string": "P4 Cl20\n1.0\n8.982714 0.000000 -0.000000\n-0.000000 8.982714 0.000000\n-0.000000 0.000000 7.634685\nP Cl\n4 20\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.500000 -0.000000 0.613829 P\n0.000000 0.500000 0.386170 P\n0.921039 0.728217 0.391393 Cl\n0.771783 0.421039 0.391393 Cl\n0.271783 0.921039 0.608606 Cl\n0.421039 0.228217 0.608606 Cl\n0.578960 0.771783 0.608606 Cl\n0.728217 0.078960 0.608606 Cl\n0.000000 0.500000 0.678327 Cl\n0.500000 -0.000000 0.321672 Cl\n0.000000 0.500000 0.103678 Cl\n0.328457 0.551122 0.852419 Cl\n0.078960 0.271783 0.391393 Cl\n0.051122 0.171542 0.852419 Cl\n0.948878 0.828457 0.852419 Cl\n0.671542 0.448878 0.852419 Cl\n0.171542 0.948878 0.147580 Cl\n0.448878 0.328457 0.147580 Cl\n0.551122 0.671542 0.147580 Cl\n0.828457 0.051122 0.147580 Cl\n0.500000 -0.000000 0.896321 Cl\n0.228217 0.578960 0.391393 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.245248391556522,
"density_atomic": 0.03895874638302818,
"volume": 616.0362493197485,
"volume_molar": 15.457737527774919,
"formula_full": "P4 Cl20",
"formula_reduced": "PCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5514826395833333,
"spacegroup": 85
},
{
"id": "jvasp-78545",
"created_at": "2022-09-04T14:37:17.400240Z",
"updated_at": "2022-09-04T14:37:17.400271Z",
"structure_string": "Mg1 Sb1\n1.0\n3.452328 0.000000 0.000000\n0.000000 3.452328 0.000000\n0.000000 -0.000000 4.098194\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.965679050620337,
"density_atomic": 0.04094617906021705,
"volume": 48.844606405367436,
"volume_molar": 14.707454756996016,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5515776142857145,
"spacegroup": 123
},
{
"id": "jvasp-1813",
"created_at": "2022-09-04T14:36:14.966290Z",
"updated_at": "2022-09-04T14:36:14.966317Z",
"structure_string": "K1 Dy1 S2\n1.0\n3.889210 0.001825 6.585819\n1.800827 3.447171 6.585819\n0.003011 0.001825 7.648462\nK Dy S\n1 1 2\ndirect\n0.500000 0.500001 0.499999 K\n0.000000 0.000000 0.000000 Dy\n0.734813 0.734816 0.734813 S\n0.265186 0.265187 0.265186 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Dy",
"S"
],
"chemical_system": "Dy-K-S",
"density": 4.30815176426181,
"density_atomic": 0.0390538702107269,
"volume": 102.42262747371252,
"volume_molar": 15.4200869913935,
"formula_full": "K1 Dy1 S2",
"formula_reduced": "KDyS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.551586125,
"spacegroup": 166
},
{
"id": "jvasp-24905",
"created_at": "2022-09-04T14:37:48.480519Z",
"updated_at": "2022-09-04T14:37:48.480537Z",
"structure_string": "K4 Cd2 Au8 S8\n1.0\n6.566153 0.000000 2.530109\n2.261374 8.597493 3.916581\n0.027356 -0.039223 9.714320\nK Cd Au S\n4 2 8 8\ndirect\n0.161712 0.152792 0.847208 K\n0.661712 0.347208 0.652792 K\n0.338288 0.652792 0.347208 K\n0.838287 0.847208 0.152792 K\n0.250000 0.750000 0.750000 Cd\n0.750000 0.250000 0.250000 Cd\n-0.000000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.132674 0.367326 0.367326 Au\n0.500000 0.500000 0.000000 Au\n0.632674 0.867326 0.867326 Au\n0.367326 0.132674 0.132674 Au\n0.867325 0.632674 0.632674 Au\n0.844302 0.485486 0.259921 S\n0.089710 0.014514 0.240079 S\n0.589710 0.740079 0.514514 S\n0.344303 0.759921 0.985486 S\n0.910290 0.985486 0.759921 S\n0.410290 0.259921 0.485486 S\n0.155697 0.514514 0.740079 S\n0.655697 0.240079 0.014514 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Cd",
"Au",
"S"
],
"chemical_system": "Au-Cd-K-S",
"density": 6.700037651082963,
"density_atomic": 0.04010307065966368,
"volume": 548.5864208929007,
"volume_molar": 15.016657480189332,
"formula_full": "K4 Cd2 Au8 S8",
"formula_reduced": "K2Cd(AuS)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 0.5516396390909093,
"spacegroup": 72
},
{
"id": "jvasp-11304",
"created_at": "2022-09-04T14:36:33.654801Z",
"updated_at": "2022-09-04T14:36:33.654830Z",
"structure_string": "Mo2 F10\n1.0\n5.050690 -0.627274 1.049642\n-2.182199 4.847936 0.562973\n0.450607 -1.775573 7.052529\nMo F\n2 10\ndirect\n0.002653 -0.000136 0.998823 Mo\n0.502643 -0.000139 0.498820 Mo\n0.687165 0.865843 0.248609 F\n0.318123 0.133885 0.749042 F\n0.586223 0.316773 0.369231 F\n0.189319 0.803561 0.048756 F\n0.236093 0.317619 0.130086 F\n0.883557 0.196644 0.551877 F\n0.769216 0.682111 0.867550 F\n0.121729 0.803095 0.445774 F\n0.815981 0.196155 0.948891 F\n0.419059 0.682952 0.628413 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"F"
],
"chemical_system": "F-Mo",
"density": 3.736727602894061,
"density_atomic": 0.07071553556795424,
"volume": 169.69397040723217,
"volume_molar": 8.516008132630223,
"formula_full": "Mo2 F10",
"formula_reduced": "MoF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5516528854166663,
"spacegroup": 15
},
{
"id": "jvasp-36326",
"created_at": "2022-09-04T14:37:13.527212Z",
"updated_at": "2022-09-04T14:37:13.527238Z",
"structure_string": "Na1 H1\n1.0\n2.945440 0.000000 0.000000\n-0.000000 2.945440 0.000000\n-0.000000 -0.000000 2.945440\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"H"
],
"chemical_system": "H-Na",
"density": 1.5594388305603264,
"density_atomic": 0.07826713823319939,
"volume": 25.553508728541182,
"volume_molar": 7.694341323758181,
"formula_full": "Na1 H1",
"formula_reduced": "NaH",
"formula_anonymous": "AB",
"energy_above_hull": 0.5517395,
"spacegroup": 221
}
]
}