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=density&page=1007",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1005",
"results": [
{
"id": "jvasp-40999",
"created_at": "2022-09-04T14:37:33.173796Z",
"updated_at": "2022-09-04T14:37:33.173813Z",
"structure_string": "Li1 Mg2 Ag1\n1.0\n-0.000000 3.318849 3.318849\n3.318849 0.000000 3.318849\n3.318849 3.318849 -0.000000\nLi Mg Ag\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.499999 0.499999 0.499999 Mg\n0.000000 0.000000 0.000000 Mg\n0.250001 0.250001 0.250001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ag"
],
"chemical_system": "Ag-Li-Mg",
"density": 3.711587484056612,
"density_atomic": 0.054710100844374325,
"volume": 73.11264169258624,
"volume_molar": 11.007365490204975,
"formula_full": "Li1 Mg2 Ag1",
"formula_reduced": "LiMg2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109256",
"created_at": "2022-09-04T14:38:15.628471Z",
"updated_at": "2022-09-04T14:38:15.628500Z",
"structure_string": "Rb2 Na1 Sb1 Br6\n1.0\n6.887678 -0.000000 3.976603\n2.295893 6.493765 3.976603\n-0.000000 -0.000000 7.953205\nRb Na Sb Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751327 0.248673 0.248673 Br\n0.248674 0.248673 0.751327 Br\n0.248673 0.751326 0.751327 Br\n0.248673 0.751326 0.248674 Br\n0.751327 0.248673 0.751327 Br\n0.751327 0.751326 0.248673 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"Br"
],
"chemical_system": "Br-Na-Rb-Sb",
"density": 3.7116275355862176,
"density_atomic": 0.028111784792520998,
"volume": 355.7227004192367,
"volume_molar": 21.422121734519543,
"formula_full": "Rb2 Na1 Sb1 Br6",
"formula_reduced": "Rb2NaSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22122",
"created_at": "2022-09-04T14:37:44.107352Z",
"updated_at": "2022-09-04T14:37:44.107371Z",
"structure_string": "Ca12 Si8 Sn4 O36\n1.0\n0.000000 7.378050 -0.007524\n10.165736 0.000000 0.000000\n0.000000 -0.208147 -10.476416\nCa Si Sn O\n12 8 4 36\ndirect\n0.363961 0.920633 0.888942 Ca\n0.372895 0.194854 0.402445 Ca\n0.627105 0.805146 0.597555 Ca\n0.372894 0.305146 0.902445 Ca\n0.882019 0.166186 0.415224 Ca\n0.117981 0.666186 0.084776 Ca\n0.627105 0.694855 0.097555 Ca\n0.882019 0.333814 0.915224 Ca\n0.363961 0.579368 0.388942 Ca\n0.636039 0.079368 0.111058 Ca\n0.636039 0.420632 0.611058 Ca\n0.117980 0.833814 0.584776 Ca\n0.600159 0.135710 0.693911 Si\n0.399841 0.635711 0.806089 Si\n0.399841 0.864290 0.306089 Si\n0.600159 0.364290 0.193911 Si\n0.166564 0.124528 0.684150 Si\n0.833435 0.624529 0.815851 Si\n0.833435 0.875472 0.315850 Si\n0.166564 0.375472 0.184149 Si\n0.879988 0.940047 0.882577 Sn\n0.120011 0.440047 0.617423 Sn\n0.879988 0.559954 0.382577 Sn\n0.120011 0.059953 0.117423 Sn\n0.352620 0.766646 0.721640 O\n0.647379 0.266646 0.778360 O\n0.898479 0.767865 0.760636 O\n0.101520 0.267865 0.739364 O\n0.101521 0.232135 0.239364 O\n0.898479 0.732135 0.260636 O\n0.383144 0.392289 0.231039 O\n0.616855 0.892290 0.268961 O\n0.616855 0.607711 0.768961 O\n0.915224 0.003804 0.241621 O\n0.084775 0.503804 0.258378 O\n0.084775 0.996196 0.758379 O\n0.915224 0.496196 0.741622 O\n0.855179 0.607801 0.968344 O\n0.144820 0.107801 0.531656 O\n0.383144 0.107711 0.731039 O\n0.352620 0.733354 0.221640 O\n0.091635 0.616984 0.509411 O\n0.304661 0.003038 0.262952 O\n0.341790 0.389929 0.516467 O\n0.658210 0.889929 0.983533 O\n0.658210 0.610071 0.483533 O\n0.341790 0.110071 0.016467 O\n0.908365 0.116984 0.990589 O\n0.144820 0.392199 0.031656 O\n0.091635 0.883017 0.009411 O\n0.908365 0.383017 0.490589 O\n0.620275 0.167162 0.543284 O\n0.379724 0.667162 0.956717 O\n0.379724 0.832839 0.456716 O\n0.620275 0.332838 0.043283 O\n0.695339 0.996962 0.737048 O\n0.304661 0.496962 0.762953 O\n0.855179 0.892200 0.468344 O\n0.647379 0.233354 0.278360 O\n0.695339 0.503039 0.237047 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ca",
"Si",
"Sn",
"O"
],
"chemical_system": "Ca-O-Si-Sn",
"density": 3.7117615210428556,
"density_atomic": 0.07635707698600673,
"volume": 785.7817817069616,
"volume_molar": 7.886814160138194,
"formula_full": "Ca12 Si8 Sn4 O36",
"formula_reduced": "Ca3Si2SnO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.042944110666667,
"spacegroup": 14
},
{
"id": "jvasp-51753",
"created_at": "2022-09-04T14:37:00.058693Z",
"updated_at": "2022-09-04T14:37:00.058721Z",
"structure_string": "Al4 Ge2 H4 O12\n1.0\n2.496927 4.245657 -0.977912\n-2.496927 4.245657 0.977912\n0.021409 0.000000 9.470470\nAl Ge H O\n4 2 4 12\ndirect\n0.469793 0.297909 0.914227 Al\n0.297909 0.469792 0.585773 Al\n0.530208 0.702091 0.085773 Al\n0.702092 0.530208 0.414227 Al\n0.027447 0.027446 0.750000 Ge\n0.972554 0.972554 0.250000 Ge\n0.920328 0.387266 0.947703 H\n0.387266 0.920328 0.552297 H\n0.079673 0.612735 0.052297 H\n0.612735 0.079672 0.447703 H\n0.484660 0.713078 0.541098 O\n0.713079 0.484660 0.958903 O\n0.356722 0.836549 0.237776 O\n0.836549 0.356722 0.262224 O\n0.643279 0.163452 0.762224 O\n0.069441 0.246557 0.588866 O\n0.753443 0.930560 0.088866 O\n0.930560 0.753443 0.411134 O\n0.246558 0.069441 0.911134 O\n0.286922 0.515341 0.041097 O\n0.163452 0.643279 0.737776 O\n0.515341 0.286922 0.458903 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Al",
"Ge",
"H",
"O"
],
"chemical_system": "Al-Ge-H-O",
"density": 3.7117774095192897,
"density_atomic": 0.10946771827141032,
"volume": 200.9724907707859,
"volume_molar": 5.501293765043061,
"formula_full": "Al4 Ge2 H4 O12",
"formula_reduced": "Al2Ge(HO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.4095993227272725,
"spacegroup": 15
},
{
"id": "jvasp-62325",
"created_at": "2022-09-04T14:36:20.510249Z",
"updated_at": "2022-09-04T14:36:20.510276Z",
"structure_string": "K4 As2 Au2 S8\n1.0\n0.000000 6.533691 -0.092965\n6.898706 0.000000 0.000000\n0.000000 -0.366540 -9.490038\nK As Au S\n4 2 2 8\ndirect\n0.197640 0.750000 0.535631 K\n0.802359 0.250000 0.464370 K\n0.547705 0.750000 0.160370 K\n0.452295 0.250000 0.839630 K\n0.716346 0.750000 0.718909 As\n0.283654 0.250000 0.281092 As\n0.000000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.098837 0.982461 0.235296 S\n0.901163 0.482460 0.764705 S\n0.901163 0.017540 0.764705 S\n0.098837 0.517540 0.235296 S\n0.432638 0.750000 0.831919 S\n0.567362 0.250000 0.168082 S\n0.690430 0.750000 0.490895 S\n0.309570 0.250000 0.509106 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"As",
"Au",
"S"
],
"chemical_system": "As-Au-K-S",
"density": 3.7118236736282917,
"density_atomic": 0.03738412307649111,
"volume": 427.989175171038,
"volume_molar": 16.108819103976803,
"formula_full": "K4 As2 Au2 S8",
"formula_reduced": "K2AsAuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.145350665,
"spacegroup": 11
},
{
"id": "jvasp-12617",
"created_at": "2022-09-04T14:37:07.612246Z",
"updated_at": "2022-09-04T14:37:07.612261Z",
"structure_string": "Na4 Co2 Ge2 O8\n1.0\n5.377936 0.000000 0.000000\n0.000000 6.234499 0.000000\n0.000000 0.000000 6.445467\nNa Co Ge O\n4 2 2 8\ndirect\n0.011540 0.664480 0.747782 Na\n0.511541 0.335520 0.247782 Na\n0.511541 0.335520 0.752219 Na\n0.011540 0.664480 0.252219 Na\n0.005414 0.152699 0.000000 Co\n0.505414 0.847301 0.500000 Co\n0.499317 0.847886 0.000000 Ge\n-0.000684 0.152114 0.500000 Ge\n0.668229 0.125124 0.500000 O\n0.168229 0.874876 0.000000 O\n0.141841 0.894195 0.500000 O\n0.641842 0.105805 0.000000 O\n0.581060 0.697317 0.769809 O\n0.581060 0.697317 0.230192 O\n0.081060 0.302683 0.269809 O\n0.081060 0.302683 0.730192 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Na-O",
"density": 3.7120614436984587,
"density_atomic": 0.07403693036389344,
"volume": 216.1083653976412,
"volume_molar": 8.133968723988179,
"formula_full": "Na4 Co2 Ge2 O8",
"formula_reduced": "Na2CoGeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.59370860625,
"spacegroup": 31
},
{
"id": "jvasp-85269",
"created_at": "2022-09-04T14:37:12.513871Z",
"updated_at": "2022-09-04T14:37:12.513892Z",
"structure_string": "Rb4 Cu2 Br4 Cl4\n1.0\n6.493311 -0.000000 -2.893462\n-0.000000 7.109268 0.000000\n0.105199 -0.000000 8.968732\nRb Cu Br Cl\n4 2 4 4\ndirect\n0.134592 0.500000 0.269183 Rb\n0.634592 0.000000 0.269183 Rb\n0.865408 0.500000 0.730817 Rb\n0.365408 0.000000 0.730817 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.156996 0.000000 0.313991 Br\n0.843004 0.000000 0.686009 Br\n0.656996 0.500000 0.313991 Br\n0.343004 0.500000 0.686009 Br\n0.772790 0.227199 0.000000 Cl\n0.227210 0.772801 0.000000 Cl\n0.272790 0.272801 0.000000 Cl\n0.727210 0.727200 0.000000 Cl\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cu-Rb",
"density": 3.712175628308957,
"density_atomic": 0.03363890569272459,
"volume": 416.1847631989977,
"volume_molar": 17.902308758225942,
"formula_full": "Rb4 Cu2 Br4 Cl4",
"formula_reduced": "Rb2Cu(BrCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-10132",
"created_at": "2022-09-04T14:38:11.280724Z",
"updated_at": "2022-09-04T14:38:11.280758Z",
"structure_string": "Na4 Cu4 O4\n1.0\n4.385810 0.000000 1.633040\n2.192904 6.261061 0.816520\n0.008156 0.000000 6.684037\nNa Cu O\n4 4 4\ndirect\n0.922250 0.827745 0.827746 Na\n0.250003 0.827745 0.172255 Na\n0.250004 0.172254 0.827746 Na\n0.577742 0.172254 0.172255 Na\n0.899968 0.500000 0.200063 Cu\n0.899969 0.200063 0.500000 Cu\n0.600031 0.799937 0.500000 Cu\n0.600032 0.500000 0.799937 Cu\n0.454784 0.795210 0.795210 O\n0.750005 0.795210 0.204790 O\n0.750006 0.204790 0.795210 O\n0.045205 0.204790 0.204790 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 3.7122969792201483,
"density_atomic": 0.065409678795565,
"volume": 183.45908772164222,
"volume_molar": 9.20680374967431,
"formula_full": "Na4 Cu4 O4",
"formula_reduced": "NaCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-96634",
"created_at": "2022-09-04T14:36:09.191218Z",
"updated_at": "2022-09-04T14:36:09.191243Z",
"structure_string": "Ba2 Mg2 Si2\n1.0\n4.647644 -0.000000 -0.000000\n0.000000 4.647644 -0.000000\n0.000000 -0.000000 7.856649\nBa Mg Si\n2 2 2\ndirect\n0.250000 0.250000 0.158786 Ba\n0.749999 0.749999 0.841214 Ba\n0.250000 0.749999 0.500000 Mg\n0.749999 0.250000 0.500000 Mg\n0.250000 0.250000 0.704689 Si\n0.749999 0.749999 0.295311 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Si"
],
"chemical_system": "Ba-Mg-Si",
"density": 3.7126450126513504,
"density_atomic": 0.03535478413824484,
"volume": 169.7082911477752,
"volume_molar": 17.033453623849407,
"formula_full": "Ba2 Mg2 Si2",
"formula_reduced": "BaMgSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.451697873333333,
"spacegroup": 129
},
{
"id": "jvasp-85940",
"created_at": "2022-09-04T14:36:05.609810Z",
"updated_at": "2022-09-04T14:36:05.609829Z",
"structure_string": "Na2 Pd1 Se2 O8\n1.0\n4.998917 0.005546 0.314742\n1.885590 5.449816 1.719791\n-0.032180 0.064554 7.215749\nNa Pd Se O\n2 1 2 8\ndirect\n0.798751 0.262293 0.808945 Na\n0.201250 0.737708 0.191055 Na\n0.500000 0.000000 0.500000 Pd\n0.120754 0.678752 0.719070 Se\n0.879246 0.321249 0.280929 Se\n0.262288 0.785862 0.500984 O\n0.793588 0.683557 0.654558 O\n0.292082 0.385578 0.823533 O\n0.206412 0.316443 0.345441 O\n0.103985 0.858146 0.856811 O\n0.896015 0.141855 0.143188 O\n0.737712 0.214139 0.499015 O\n0.707918 0.614423 0.176467 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Pd",
"Se",
"O"
],
"chemical_system": "Na-O-Pd-Se",
"density": 3.712654162752376,
"density_atomic": 0.06631208399520633,
"volume": 196.04270016517296,
"volume_molar": 9.081513348962668,
"formula_full": "Na2 Pd1 Se2 O8",
"formula_reduced": "Na2Pd(SeO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.02995987948718,
"spacegroup": 2
},
{
"id": "jvasp-18469",
"created_at": "2022-09-04T14:36:02.493527Z",
"updated_at": "2022-09-04T14:36:02.493553Z",
"structure_string": "Na6 Bi2\n1.0\n2.722426 -4.715379 0.000000\n2.722426 4.715379 -0.000000\n0.000000 0.000000 9.683933\nNa Bi\n6 2\ndirect\n0.333334 0.666668 0.082626 Na\n0.666668 0.333334 0.582626 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.333334 0.666668 0.417374 Na\n0.666668 0.333334 0.917374 Na\n0.666668 0.333334 0.250000 Bi\n0.333334 0.666668 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Bi"
],
"chemical_system": "Bi-Na",
"density": 3.7127085188616658,
"density_atomic": 0.0321762573278662,
"volume": 248.6305327087129,
"volume_molar": 18.716100815070668,
"formula_full": "Na6 Bi2",
"formula_reduced": "Na3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-49969",
"created_at": "2022-09-04T14:38:35.457802Z",
"updated_at": "2022-09-04T14:38:35.457827Z",
"structure_string": "Y2 B6 O12\n1.0\n-3.282786 4.052071 3.910681\n2.862659 -4.052071 3.896970\n3.282786 4.052071 -3.910681\nY B O\n2 6 12\ndirect\n0.290826 0.250000 0.040826 Y\n0.709174 0.750000 0.959174 Y\n0.724030 0.250000 0.474030 B\n0.834696 0.639755 0.430854 B\n0.708901 0.139756 0.805058 B\n0.291099 0.860245 0.194942 B\n0.165304 0.360245 0.569146 B\n0.275970 0.750000 0.525970 B\n0.300938 0.396453 0.784000 O\n0.112453 0.896453 0.095514 O\n0.282338 0.496093 0.483996 O\n0.281817 0.702742 0.283636 O\n0.718183 0.297258 0.716364 O\n0.512096 0.996093 0.213755 O\n0.887547 0.103547 0.904487 O\n0.699061 0.603547 0.216000 O\n0.487904 0.003907 0.786245 O\n0.919106 0.202742 0.420925 O\n0.717662 0.503907 0.516004 O\n0.080894 0.797258 0.579075 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"B",
"O"
],
"chemical_system": "B-O-Y",
"density": 3.7128775895920443,
"density_atomic": 0.10288009642660248,
"volume": 194.4010619611788,
"volume_molar": 5.853552795118502,
"formula_full": "Y2 B6 O12",
"formula_reduced": "Y(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.395168419999999,
"spacegroup": 15
}
]
}