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=-volume&page=716",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=714",
"results": [
{
"id": "jvasp-112215",
"created_at": "2022-09-04T14:38:46.233346Z",
"updated_at": "2022-09-04T14:38:46.233366Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.784041 0.319975 0.219789\n1.719777 4.491322 0.240225\n0.485995 0.116446 17.607443\nCd H C O\n1 20 12 4\ndirect\n0.618679 0.013553 0.151592 Cd\n0.065778 0.778514 0.491713 H\n0.359768 0.305879 0.411267 H\n0.303660 0.212004 0.954601 H\n0.755232 0.181240 0.835170 H\n0.170265 0.248747 0.811438 H\n0.623408 0.222809 0.694046 H\n0.038187 0.290777 0.670205 H\n0.491127 0.264389 0.552810 H\n0.906112 0.332203 0.529070 H\n0.905543 0.126069 0.974531 H\n0.775154 0.372382 0.387817 H\n0.461614 0.655027 0.915464 H\n-0.122947 0.721348 0.891901 H\n0.329844 0.695360 0.774212 H\n0.744882 0.763049 0.750409 H\n0.197401 0.736650 0.633020 H\n0.612074 0.804806 0.609219 H\n0.933306 0.815259 0.348520 H\n0.331506 0.901114 0.328648 H\n0.480692 0.846279 0.468080 H\n0.907793 0.473429 0.042722 C\n-0.016461 0.321003 0.966522 C\n0.778434 0.537335 0.900453 C\n0.852847 0.366427 0.826240 C\n0.647191 0.577959 0.759380 C\n0.720830 0.408050 0.685045 C\n0.458251 0.489978 0.402756 C\n0.588718 0.449539 0.543861 C\n0.383266 0.660978 0.476973 C\n0.253458 0.706204 0.336648 C\n0.329455 0.553682 0.260457 C\n0.514783 0.619483 0.618200 C\n0.980471 0.302574 0.104099 O\n0.256914 0.724474 0.199069 O\n0.458203 0.261873 0.260684 O\n0.779068 0.765230 0.042507 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.957226245404512,
"density_atomic": 0.1280049834084904,
"volume": 289.05124640284777,
"volume_molar": 4.704614304571332,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595553074324325,
"spacegroup": 2
},
{
"id": "jvasp-25775",
"created_at": "2022-09-04T14:38:07.193244Z",
"updated_at": "2022-09-04T14:38:07.193263Z",
"structure_string": "Cd4 Bi2 As2 O12\n1.0\n5.697847 0.000000 0.000000\n0.000000 6.939827 -2.129603\n0.000000 0.169732 7.257244\nCd Bi As O\n4 2 2 12\ndirect\n0.367514 0.593284 0.815882 Cd\n0.367514 0.184117 0.406716 Cd\n0.867514 0.406716 0.184117 Cd\n0.867514 0.815883 0.593284 Cd\n0.374841 0.096866 0.903133 Bi\n0.874842 0.903134 0.096867 Bi\n0.355613 0.665950 0.334050 As\n0.855614 0.334050 0.665950 As\n0.321396 0.519369 0.480631 O\n0.717001 0.434724 0.883134 O\n0.717001 0.116866 0.565276 O\n0.651332 0.703137 0.296864 O\n0.821396 0.480631 0.519369 O\n0.217001 0.883134 0.434724 O\n0.619600 0.153191 0.157992 O\n0.119600 0.846809 0.842008 O\n0.151332 0.296864 0.703136 O\n0.619600 0.842008 0.846809 O\n0.119600 0.157992 0.153191 O\n0.217001 0.565276 0.116866 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Cd-O",
"density": 6.948591284548677,
"density_atomic": 0.06919792157453629,
"volume": 289.02602195149854,
"volume_molar": 8.70277693747387,
"formula_full": "Cd4 Bi2 As2 O12",
"formula_reduced": "Cd2BiAsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.5276446549999996,
"spacegroup": 36
},
{
"id": "jvasp-111735",
"created_at": "2022-09-04T14:38:52.205552Z",
"updated_at": "2022-09-04T14:38:52.205594Z",
"structure_string": "Nb4 Se4 Br4\n1.0\n6.427023 -0.000000 3.710643\n2.142341 6.059456 3.710643\n0.000000 0.000000 7.421288\nNb Se Br\n4 4 4\ndirect\n0.352197 0.352198 0.352198 Nb\n0.352197 0.352198 0.943408 Nb\n0.352197 0.943408 0.352197 Nb\n0.943407 0.352198 0.352197 Nb\n0.114128 0.114128 0.114128 Se\n0.114128 0.114128 0.657616 Se\n0.114127 0.657616 0.114127 Se\n0.657615 0.114128 0.114128 Se\n0.620678 0.620679 0.620678 Br\n0.620678 0.620679 0.137964 Br\n0.620678 0.137964 0.620678 Br\n0.137964 0.620679 0.620678 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 5.786166787624289,
"density_atomic": 0.0415201075693879,
"volume": 289.01659226064737,
"volume_molar": 14.504155004742875,
"formula_full": "Nb4 Se4 Br4",
"formula_reduced": "NbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7025456238888892,
"spacegroup": 216
},
{
"id": "jvasp-22935",
"created_at": "2022-09-04T14:38:20.296620Z",
"updated_at": "2022-09-04T14:38:20.296640Z",
"structure_string": "Yb4 Ge6 Ir7\n1.0\n6.801451 0.000000 -2.404676\n-3.400726 5.890229 -2.404676\n-0.000000 -0.000000 7.214028\nYb Ge Ir\n4 6 7\ndirect\n0.500000 0.500000 0.499999 Yb\n0.500000 0.000000 -0.000000 Yb\n-0.000000 0.500000 -0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.684439 0.684440 -0.000001 Ge\n-0.000000 0.684440 0.684439 Ge\n0.684440 0.000000 0.684439 Ge\n0.315560 0.000000 0.315560 Ge\n-0.000000 0.315560 0.315560 Ge\n0.315560 0.315560 -0.000000 Ge\n0.000000 0.000000 0.000000 Ir\n0.500000 0.250000 0.750000 Ir\n0.250000 0.750000 0.499999 Ir\n0.250000 0.500000 0.750000 Ir\n0.750000 0.500000 0.249999 Ir\n0.499999 0.750000 0.249999 Ir\n0.750000 0.250000 0.500000 Ir\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Yb",
"density": 14.211920562505519,
"density_atomic": 0.05882166921530407,
"volume": 289.0091394342305,
"volume_molar": 10.237963050584725,
"formula_full": "Yb4 Ge6 Ir7",
"formula_reduced": "Yb4Ge6Ir7",
"formula_anonymous": "A4B6C7",
"energy_above_hull": 2.463283894117647,
"spacegroup": 229
},
{
"id": "jvasp-25633",
"created_at": "2022-09-04T14:38:17.080451Z",
"updated_at": "2022-09-04T14:38:17.080472Z",
"structure_string": "K1 Au1 I4 O12\n1.0\n5.630000 -0.018352 0.031332\n-2.718931 6.678775 -0.030636\n-0.467908 -2.477140 7.699279\nK Au I O\n1 1 4 12\ndirect\n0.201934 0.100963 0.885005 K\n0.397761 0.096620 0.374809 Au\n0.504889 0.780094 0.580474 I\n0.886059 0.410969 0.234321 I\n0.820656 0.444467 0.742436 I\n0.516819 0.747542 0.063209 I\n0.299398 0.898372 0.133151 O\n0.690376 0.438946 0.945206 O\n0.655808 0.763780 0.277700 O\n0.225916 0.499462 0.004676 O\n0.857785 0.151628 0.110883 O\n0.250887 0.855891 0.473188 O\n0.825388 0.700260 0.747358 O\n0.531835 0.337880 0.274740 O\n0.472024 0.299546 0.613708 O\n0.349030 0.769926 0.772626 O\n0.764184 0.044458 0.662243 O\n0.027251 0.419941 0.447890 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Au",
"I",
"O"
],
"chemical_system": "Au-I-K-O",
"density": 5.37618211803116,
"density_atomic": 0.062283369402507206,
"volume": 289.00170579524575,
"volume_molar": 9.668938623217098,
"formula_full": "K1 Au1 I4 O12",
"formula_reduced": "KAu(IO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 1.881835069222222,
"spacegroup": 1
},
{
"id": "jvasp-44137",
"created_at": "2022-09-04T14:38:11.780813Z",
"updated_at": "2022-09-04T14:38:11.780835Z",
"structure_string": "Mn8 O4 F12\n1.0\n-4.831963 4.831963 6.407928\n-0.028304 4.750535 -3.163624\n-4.750535 0.028304 -3.163624\nMn O F\n8 4 12\ndirect\n0.883904 0.647073 0.647073 Mn\n0.606990 0.887578 0.887578 Mn\n0.767585 0.258116 0.258116 Mn\n0.500000 0.499999 0.499999 Mn\n0.232415 0.741881 0.741881 Mn\n0.393010 0.112420 0.112420 Mn\n0.116095 0.352925 0.352925 Mn\n0.000000 0.000000 0.000000 Mn\n0.024916 0.792167 0.792167 O\n0.500000 0.805962 0.194035 O\n0.500000 0.194035 0.805962 O\n0.975084 0.207830 0.207830 O\n-0.000000 0.693285 0.306713 F\n0.733209 0.575842 0.957388 F\n0.733209 0.957388 0.575842 F\n0.457937 0.719716 0.719716 F\n0.733498 0.489041 0.489041 F\n0.221352 0.974264 0.974264 F\n0.778648 0.025734 0.025734 F\n0.266502 0.510957 0.510957 F\n0.542062 0.280282 0.280282 F\n-0.000000 0.306713 0.693285 F\n0.266791 0.042610 0.424156 F\n0.266791 0.424156 0.042610 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.2032634366515,
"density_atomic": 0.08305095610502332,
"volume": 288.9792137931614,
"volume_molar": 7.251139592402297,
"formula_full": "Mn8 O4 F12",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.555783138376437,
"spacegroup": 12
},
{
"id": "jvasp-53070",
"created_at": "2022-09-04T14:37:32.374111Z",
"updated_at": "2022-09-04T14:37:32.374135Z",
"structure_string": "Ga11 N1 O15\n1.0\n5.863750 -0.001731 0.013416\n0.021676 5.962119 0.001835\n0.249609 0.022195 8.266133\nGa N O\n11 1 15\ndirect\n0.999648 0.256040 0.130259 Ga\n0.500213 0.237882 0.364119 Ga\n0.255633 0.758159 0.249950 Ga\n0.521656 0.496430 0.985391 Ga\n0.251387 0.248395 0.750257 Ga\n0.021554 0.745126 0.867211 Ga\n0.976716 0.007729 0.515388 Ga\n0.743755 0.757296 0.250774 Ga\n0.476799 0.751324 0.633789 Ga\n0.977100 0.494305 0.514346 Ga\n0.524495 0.008772 0.995072 Ga\n0.500141 0.976122 0.234717 N\n0.484803 0.490529 0.755416 O\n0.749582 0.744583 0.000945 O\n0.271238 0.739064 0.007636 O\n0.015966 0.488526 0.741821 O\n0.499787 0.512747 0.240780 O\n0.741459 0.256732 0.008162 O\n0.754420 0.750882 0.499236 O\n0.764945 0.251920 0.486054 O\n0.484570 0.006224 0.762900 O\n0.017693 0.005769 0.743589 O\n0.000013 0.985744 0.259412 O\n0.220695 0.749245 0.492619 O\n0.998932 0.526563 0.260691 O\n0.268303 0.254198 0.995284 O\n0.228506 0.249689 0.504190 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 5.866854045964923,
"density_atomic": 0.09343620256839238,
"volume": 288.9672231728044,
"volume_molar": 6.445189973973934,
"formula_full": "Ga11 N1 O15",
"formula_reduced": "Ga11NO15",
"formula_anonymous": "AB11C15",
"energy_above_hull": 1.662369678703704,
"spacegroup": 1
},
{
"id": "jvasp-112525",
"created_at": "2022-09-04T14:38:40.591292Z",
"updated_at": "2022-09-04T14:38:40.591317Z",
"structure_string": "Tm4 Ge4 Pd8\n1.0\n5.567449 -0.000000 0.000000\n0.000000 7.121711 0.000000\n-0.000000 -0.000000 7.284585\nTm Ge Pd\n4 4 8\ndirect\n0.354592 0.750000 0.027668 Tm\n0.145408 0.750000 0.527668 Tm\n0.645408 0.250000 0.972331 Tm\n0.854592 0.250000 0.472332 Tm\n0.644385 0.750000 0.383276 Ge\n0.855615 0.750000 0.883276 Ge\n0.355615 0.250000 0.616723 Ge\n0.144385 0.250000 0.116724 Ge\n0.915845 0.549975 0.187078 Pd\n0.584156 0.950024 0.687077 Pd\n0.084156 0.049976 0.812922 Pd\n0.415845 0.450024 0.312922 Pd\n0.084156 0.450024 0.812922 Pd\n0.415845 0.049976 0.312922 Pd\n0.915845 0.950024 0.187078 Pd\n0.584156 0.549975 0.687077 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tm",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Tm",
"density": 10.44998299996966,
"density_atomic": 0.05539551114580864,
"volume": 288.8320672389102,
"volume_molar": 10.871171030715637,
"formula_full": "Tm4 Ge4 Pd8",
"formula_reduced": "TmGePd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1405654,
"spacegroup": 62
},
{
"id": "jvasp-35130",
"created_at": "2022-09-04T14:37:31.236383Z",
"updated_at": "2022-09-04T14:37:31.236393Z",
"structure_string": "Ca3 Zn1 Ge5 O14\n1.0\n-0.036230 -0.000000 -5.127211\n0.000000 -8.063721 -0.000000\n-6.985374 4.031860 0.050783\nCa Zn Ge O\n3 1 5 14\ndirect\n-0.000000 0.729640 0.000000 Ca\n-0.000033 0.898466 0.584464 Ca\n0.000034 0.314002 0.415535 Ca\n-0.000000 0.314091 0.000000 Zn\n0.499829 0.552309 0.238426 Ge\n0.500171 0.313882 0.761573 Ge\n0.477237 0.647325 0.666704 Ge\n0.522763 0.980621 0.333295 Ge\n0.500000 0.075746 0.000000 Ge\n0.741800 0.464610 0.918585 O\n0.258201 0.546024 0.081415 O\n0.184961 0.980755 0.333411 O\n0.815039 0.647344 0.666589 O\n0.258196 0.232685 0.150565 O\n0.741804 0.082121 0.849435 O\n0.688154 0.777218 0.321554 O\n0.311835 0.850726 0.858242 O\n0.311846 0.455663 0.678445 O\n0.311668 0.635448 0.463307 O\n0.258407 0.163397 0.768209 O\n0.741594 0.395188 0.231791 O\n0.688165 0.992482 0.141757 O\n0.688333 0.172141 0.536693 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Zn",
"density": 4.443313934010197,
"density_atomic": 0.07963411900770154,
"volume": 288.8209260879201,
"volume_molar": 7.562262049282657,
"formula_full": "Ca3 Zn1 Ge5 O14",
"formula_reduced": "Ca3ZnGe5O14",
"formula_anonymous": "AB3C5D14",
"energy_above_hull": 1.83328567,
"spacegroup": 150
},
{
"id": "jvasp-99732",
"created_at": "2022-09-04T14:36:33.552485Z",
"updated_at": "2022-09-04T14:36:33.552511Z",
"structure_string": "Cd1 Hg3 Te4\n1.0\n6.610067 0.000000 0.000000\n0.000000 6.610067 -0.000000\n-0.000000 0.000000 6.610067\nCd Hg Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.249093 0.249093 0.249093 Te\n0.750908 0.750908 0.249093 Te\n0.249093 0.750908 0.750908 Te\n0.750908 0.249093 0.750908 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Te"
],
"chemical_system": "Cd-Hg-Te",
"density": 7.040751716012999,
"density_atomic": 0.027699530144396814,
"volume": 288.8135632011172,
"volume_molar": 21.740949137428547,
"formula_full": "Cd1 Hg3 Te4",
"formula_reduced": "CdHg3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 215
},
{
"id": "jvasp-44049",
"created_at": "2022-09-04T14:36:10.430441Z",
"updated_at": "2022-09-04T14:36:10.430456Z",
"structure_string": "Fe8 O2 F14\n1.0\n-4.735764 4.735764 6.229330\n0.068575 4.814469 -3.122880\n-4.814469 -0.068575 -3.122880\nFe O F\n8 2 14\ndirect\n0.619683 0.869326 0.869326 Fe\n0.880315 0.630673 0.630673 Fe\n0.498563 0.475592 0.475592 Fe\n0.250000 0.750000 0.750000 Fe\n0.750000 0.250000 0.250000 Fe\n0.112668 0.365071 0.365071 Fe\n0.387331 0.134928 0.134928 Fe\n0.001437 0.024407 0.024407 Fe\n0.965038 0.233004 0.233004 O\n0.534961 0.266995 0.266995 O\n0.004958 0.308361 0.710611 F\n0.495042 0.789389 0.191638 F\n0.250000 0.042956 0.457044 F\n0.772199 0.016836 0.016836 F\n0.023594 0.791065 0.791065 F\n0.269830 0.518885 0.518885 F\n0.495042 0.191638 0.789389 F\n0.476406 0.708934 0.708934 F\n0.230169 0.981114 0.981114 F\n0.749999 0.946144 0.553855 F\n0.250000 0.457044 0.042956 F\n0.749999 0.553855 0.946144 F\n0.727800 0.483163 0.483163 F\n0.004958 0.710611 0.308361 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.282167982044247,
"density_atomic": 0.08310425048154375,
"volume": 288.793892742346,
"volume_molar": 7.246489469678125,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3730206231249995,
"spacegroup": 12
},
{
"id": "jvasp-38055",
"created_at": "2022-09-04T14:38:06.220401Z",
"updated_at": "2022-09-04T14:38:06.220423Z",
"structure_string": "Rb2 S1 Br1 Cl6\n1.0\n-0.000000 5.246253 5.246253\n5.246253 0.000000 5.246253\n5.246253 5.246253 -0.000000\nRb S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.224325 0.775674 0.775674 Cl\n0.224325 0.775674 0.224325 Cl\n0.775674 0.224325 0.775674 Cl\n0.775674 0.775674 0.224325 Cl\n0.224325 0.224325 0.775674 Cl\n0.775674 0.224325 0.224325 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"S",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Rb-S",
"density": 2.8498533462685978,
"density_atomic": 0.03462759366202714,
"volume": 288.7870320300677,
"volume_molar": 17.391161565476963,
"formula_full": "Rb2 S1 Br1 Cl6",
"formula_reduced": "Rb2SBrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}