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=4197",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4195",
"results": [
{
"id": "jvasp-28990",
"created_at": "2022-09-04T14:37:40.763633Z",
"updated_at": "2022-09-04T14:37:40.763654Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.320113 0.000000 0.000000\n-1.660057 2.875312 0.000027\n0.000000 0.000363 37.332247\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666642 0.333285 0.042950 Te\n0.666643 0.333286 0.145195 Te\n0.333312 0.666626 0.093840 Mo\n0.333298 0.666598 0.469699 W\n0.666681 0.333364 0.281907 W\n0.666683 0.333368 0.657507 W\n0.666639 0.333279 0.424427 Se\n0.666644 0.333288 0.514832 Se\n0.333362 0.666728 0.323021 S\n0.333360 0.666724 0.698445 S\n0.333360 0.666724 0.240624 S\n0.333360 0.666721 0.616301 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.539244484656598,
"density_atomic": 0.03367125265184571,
"volume": 356.38709744712196,
"volume_molar": 17.885110548953374,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.219029013888889,
"spacegroup": 156
},
{
"id": "jvasp-112251",
"created_at": "2022-09-04T14:38:47.479913Z",
"updated_at": "2022-09-04T14:38:47.479939Z",
"structure_string": "H16 C18 O6\n1.0\n4.559566 -0.062720 0.201328\n1.373165 8.239663 0.318597\n-0.221742 0.152841 9.460873\nH C O\n16 18 6\ndirect\n0.739910 0.145065 0.911368 H\n0.629007 0.261131 0.477345 H\n0.370995 0.738869 0.522655 H\n-0.014397 0.309398 0.524224 H\n0.933026 0.238379 0.350770 H\n0.066976 0.761621 0.649230 H\n0.699393 0.955873 0.141153 H\n0.300609 0.044126 0.858847 H\n0.014399 0.690602 0.475776 H\n0.215363 0.001466 0.681868 H\n0.403093 0.006444 0.266710 H\n0.596909 0.993557 0.733290 H\n0.443670 0.274843 0.257556 H\n0.556333 0.725156 0.742444 H\n0.260093 0.854935 0.088632 H\n0.784638 -0.001467 0.318132 H\n0.847361 0.384231 0.933427 C\n0.828468 0.309842 0.438236 C\n0.171534 0.690157 0.561765 C\n0.632303 0.944732 0.253302 C\n0.367700 0.055267 0.746698 C\n0.948642 0.670337 0.948998 C\n0.051360 0.329662 0.051002 C\n0.152641 0.615768 0.066573 C\n0.203461 0.452066 0.114684 C\n0.501598 0.679363 0.236909 C\n0.404437 0.402624 0.223985 C\n0.595565 0.597376 0.776015 C\n0.553599 0.513561 0.285915 C\n0.446403 0.486438 0.714085 C\n0.498405 0.320637 0.763092 C\n0.302246 0.728818 0.128570 C\n0.697757 0.271181 0.871430 C\n0.796541 0.547933 0.885316 C\n0.247022 0.522925 0.609331 O\n0.092185 0.185341 0.096174 O\n0.907818 0.814658 0.903826 O\n0.340016 0.222180 0.697410 O\n0.659987 0.777820 0.302590 O\n0.752981 0.477075 0.390669 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5294946893013155,
"density_atomic": 0.11221909613466408,
"volume": 356.4455727927053,
"volume_molar": 5.3664135315912445,
"formula_full": "H16 C18 O6",
"formula_reduced": "H8(C3O)3",
"formula_anonymous": "A3B8C9",
"energy_above_hull": 5.178639525,
"spacegroup": 2
},
{
"id": "jvasp-29089",
"created_at": "2022-09-04T14:37:50.036822Z",
"updated_at": "2022-09-04T14:37:50.036854Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.316142 0.000000 0.000000\n-1.658071 2.871873 0.000003\n0.000000 0.000043 37.438338\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666647 0.333293 0.042933 Te\n0.666648 0.333296 0.145134 Te\n0.333311 0.666623 0.093861 Mo\n0.666683 0.333367 0.281821 Mo\n0.333306 0.666613 0.469654 W\n0.666686 0.333372 0.657531 W\n0.333353 0.666706 0.702443 Se\n0.333353 0.666706 0.612398 Se\n0.333358 0.666715 0.322658 S\n0.666646 0.333291 0.428567 S\n0.666645 0.333290 0.510753 S\n0.333358 0.666717 0.240997 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.12740754249443,
"density_atomic": 0.03365629730825429,
"volume": 356.5454598315831,
"volume_molar": 17.893057887039326,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.612121172222222,
"spacegroup": 156
},
{
"id": "jvasp-13308",
"created_at": "2022-09-04T14:36:51.701810Z",
"updated_at": "2022-09-04T14:36:51.701833Z",
"structure_string": "Y4 Cd2 S8\n1.0\n7.959537 -0.000000 -0.000000\n3.979769 6.893161 0.000000\n3.979769 2.297720 6.498935\nY Cd S\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.500001 0.500000 0.500000 Y\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.874999 Cd\n0.742846 0.742846 0.742845 S\n0.728536 0.257154 0.257154 S\n0.257155 0.257155 0.728535 S\n0.742846 0.271464 0.742845 S\n0.257155 0.728536 0.257154 S\n0.742846 0.742845 0.271464 S\n0.257155 0.257154 0.257154 S\n0.271465 0.742846 0.742845 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cd",
"S"
],
"chemical_system": "Cd-S-Y",
"density": 3.8976979505637868,
"density_atomic": 0.03926265050970844,
"volume": 356.57297248789234,
"volume_molar": 15.338090225240679,
"formula_full": "Y4 Cd2 S8",
"formula_reduced": "Y2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6148358071428568,
"spacegroup": 227
},
{
"id": "jvasp-13283",
"created_at": "2022-09-04T14:36:56.539069Z",
"updated_at": "2022-09-04T14:36:56.539087Z",
"structure_string": "Pr5 Cu1 Se8\n1.0\n7.738123 0.111647 -0.000000\n-2.474113 7.332787 0.000000\n-2.632005 -3.722217 6.253691\nPr Cu Se\n5 1 8\ndirect\n0.114471 0.743628 0.873016 Pr\n0.256372 0.629388 0.370842 Pr\n0.370612 0.241455 0.626984 Pr\n0.625000 0.375000 0.250000 Pr\n0.758546 0.885530 0.129158 Pr\n0.875000 0.125000 0.750000 Cu\n0.480249 0.990084 0.852506 Se\n0.525603 0.017274 0.377949 Se\n0.139325 0.147653 0.122051 Se\n0.372259 0.519752 0.009835 Se\n0.637577 0.627742 0.647493 Se\n0.982726 0.860676 0.508328 Se\n0.852347 0.474398 0.991671 Se\n0.009917 0.362423 0.490165 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Se"
],
"chemical_system": "Cu-Pr-Se",
"density": 6.518592107354682,
"density_atomic": 0.039262490764079234,
"volume": 356.5744232612065,
"volume_molar": 15.338152630677172,
"formula_full": "Pr5 Cu1 Se8",
"formula_reduced": "Pr5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.568883330952381,
"spacegroup": 82
},
{
"id": "jvasp-12194",
"created_at": "2022-09-04T14:35:59.306568Z",
"updated_at": "2022-09-04T14:35:59.306605Z",
"structure_string": "Te6 O18\n1.0\n6.396011 0.000000 0.000000\n-3.198006 5.539108 0.000000\n-0.000000 -0.000000 10.065558\nTe O\n6 18\ndirect\n0.662839 -0.000000 0.498869 Te\n0.662838 0.662839 -0.001131 Te\n-0.000000 0.337161 -0.001131 Te\n-0.000000 0.662839 0.498869 Te\n0.337161 0.337161 0.498869 Te\n0.337161 -0.000000 -0.001131 Te\n-0.000000 0.249819 0.168920 O\n-0.000000 0.750182 0.668920 O\n0.249818 0.249819 0.668920 O\n0.249818 -0.000000 0.168920 O\n0.536805 -0.000000 0.337429 O\n0.536804 0.536805 0.837429 O\n-0.000000 0.463195 0.837429 O\n-0.000000 0.536805 0.337429 O\n0.000000 0.000000 0.431270 O\n0.463195 -0.000000 0.837429 O\n0.750181 0.750182 0.168920 O\n0.000000 0.000000 0.931270 O\n0.333333 0.666667 0.043006 O\n0.666667 0.333333 0.543006 O\n0.333333 0.666667 0.543006 O\n0.666667 0.333333 0.043006 O\n0.463195 0.463195 0.337429 O\n0.750181 -0.000000 0.668920 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 4.90606747553188,
"density_atomic": 0.06730143913985673,
"volume": 356.6045586354618,
"volume_molar": 8.948011865668436,
"formula_full": "Te6 O18",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.991097066666667,
"spacegroup": 185
},
{
"id": "jvasp-56367",
"created_at": "2022-09-04T14:38:33.442372Z",
"updated_at": "2022-09-04T14:38:33.442385Z",
"structure_string": "K6 Bi2\n1.0\n3.072973 -5.322546 -0.000000\n3.072973 5.322546 0.000000\n-0.000000 0.000000 10.903472\nK Bi\n6 2\ndirect\n0.666667 0.333332 0.918140 K\n0.333332 0.666667 0.418140 K\n0.000000 0.000000 0.250000 K\n0.333332 0.666667 0.081860 K\n0.000000 0.000000 0.750000 K\n0.666667 0.333332 0.581859 K\n0.333332 0.666667 0.750000 Bi\n0.666667 0.333332 0.250000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Bi"
],
"chemical_system": "Bi-K",
"density": 3.038017802981024,
"density_atomic": 0.022429366669509045,
"volume": 356.67525159662085,
"volume_molar": 26.84935713404082,
"formula_full": "K6 Bi2",
"formula_reduced": "K3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-29188",
"created_at": "2022-09-04T14:37:16.978614Z",
"updated_at": "2022-09-04T14:37:16.978638Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384419 -0.000002 0.000028\n-1.692211 2.930995 -0.000040\n0.000281 -0.000434 35.959869\nTe Mo W Se\n2 3 1 6\ndirect\n0.333328 0.666661 0.334178 Te\n0.333322 0.666622 0.229413 Te\n0.333384 0.666640 0.089407 Mo\n0.666659 0.333309 0.281798 Mo\n0.666639 0.333355 0.656865 Mo\n0.333315 0.666700 0.474844 W\n0.333307 0.666698 0.702820 Se\n0.666728 0.333299 0.043457 Se\n0.666652 0.333356 0.428599 Se\n0.666718 0.333315 0.135448 Se\n0.666648 0.333388 0.521063 Se\n0.333308 0.666678 0.610858 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.589043840951803,
"density_atomic": 0.0336406277446529,
"volume": 356.7115361545943,
"volume_molar": 17.9013923453233,
"formula_full": "Te2 Mo3 W1 Se6",
"formula_reduced": "Te2Mo3WSe6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.626023619444444,
"spacegroup": 156
},
{
"id": "jvasp-122579",
"created_at": "2022-09-04T14:38:54.852951Z",
"updated_at": "2022-09-04T14:38:54.852972Z",
"structure_string": "Sn7 Kr1\n1.0\n7.092137 -0.000000 0.000000\n0.000000 7.092137 0.000000\n-0.000000 0.000000 7.092137\nSn Kr\n7 1\ndirect\n0.310535 0.310535 0.810535 Sn\n0.000000 0.500000 0.000000 Sn\n0.310535 0.689466 0.189466 Sn\n0.500000 0.000000 0.000000 Sn\n0.689466 0.310535 0.189466 Sn\n0.500000 0.500000 0.500000 Sn\n0.689466 0.689466 0.810535 Sn\n0.000000 0.000000 0.500000 Kr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Kr"
],
"chemical_system": "Kr-Sn",
"density": 4.258226048789563,
"density_atomic": 0.022426352178975456,
"volume": 356.7231949340358,
"volume_molar": 26.85296615312103,
"formula_full": "Sn7 Kr1",
"formula_reduced": "Sn7Kr",
"formula_anonymous": "AB7",
"energy_above_hull": 0.2521810562500001,
"spacegroup": 215
},
{
"id": "jvasp-30296",
"created_at": "2022-09-04T14:37:51.604048Z",
"updated_at": "2022-09-04T14:37:51.604078Z",
"structure_string": "Zn2 H12 Se4 O16\n1.0\n-7.132204 -0.156367 0.000000\n-2.939864 7.233296 0.000000\n0.000000 0.000000 -6.853746\nZn H Se O\n2 12 4 16\ndirect\n0.499999 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.879165 0.917749 0.344035 H\n0.762023 0.740301 0.522716 H\n0.737976 0.759699 0.022716 H\n0.736650 0.369851 0.787228 H\n0.620833 0.582251 0.844035 H\n0.763349 0.130149 0.287228 H\n0.236650 0.869851 0.712773 H\n0.379166 0.417749 0.155965 H\n0.263349 0.630149 0.212772 H\n0.262023 0.240301 0.977284 H\n0.237976 0.259699 0.477284 H\n0.120834 0.082251 0.655965 H\n0.051690 0.609896 0.733427 Se\n0.551690 0.109896 0.766574 Se\n0.948309 0.390104 0.266574 Se\n0.448309 0.890104 0.233427 Se\n0.192563 -0.000298 0.763414 O\n0.104226 0.243653 0.458742 O\n0.395774 0.256347 0.958742 O\n0.307437 0.500298 0.263414 O\n0.261555 0.655122 0.678004 O\n0.462103 0.245694 0.567502 O\n0.238443 0.844879 0.178004 O\n0.537896 0.754306 0.432499 O\n0.738444 0.344878 0.321997 O\n0.692562 0.499702 0.736586 O\n0.604225 0.743653 0.041259 O\n0.895773 0.756347 0.541259 O\n0.807437 0.000297 0.236586 O\n0.962102 0.745694 0.932499 O\n0.761555 0.155122 0.821997 O\n0.037897 0.254306 0.067502 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"Se",
"O"
],
"chemical_system": "H-O-Se-Zn",
"density": 3.327045107672464,
"density_atomic": 0.09530993749349352,
"volume": 356.730902297791,
"volume_molar": 6.318481491409132,
"formula_full": "Zn2 H12 Se4 O16",
"formula_reduced": "ZnH6(SeO4)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.587557360784313,
"spacegroup": 14
},
{
"id": "jvasp-56263",
"created_at": "2022-09-04T14:37:37.821406Z",
"updated_at": "2022-09-04T14:37:37.821427Z",
"structure_string": "Yb8 Tl4\n1.0\n5.209060 -0.000000 0.000000\n-0.000000 7.066256 0.000000\n0.000000 0.000000 9.692008\nYb Tl\n8 4\ndirect\n0.250000 0.672135 0.568434 Yb\n0.750000 0.327866 0.431566 Yb\n0.750000 0.969331 0.699643 Yb\n0.250000 0.030670 0.300357 Yb\n0.250000 0.172134 0.931566 Yb\n0.750000 0.827866 0.068434 Yb\n0.750000 0.469330 0.800357 Yb\n0.250000 0.530670 0.199643 Yb\n0.250000 0.226124 0.609362 Tl\n0.750000 0.273876 0.109362 Tl\n0.250000 0.726124 0.890638 Tl\n0.750000 0.773877 0.390638 Tl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Tl"
],
"chemical_system": "Tl-Yb",
"density": 10.248845993524185,
"density_atomic": 0.03363711616481632,
"volume": 356.7487754063689,
"volume_molar": 17.90326117878983,
"formula_full": "Yb8 Tl4",
"formula_reduced": "Yb2Tl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-97545",
"created_at": "2022-09-04T14:36:02.277788Z",
"updated_at": "2022-09-04T14:36:02.277807Z",
"structure_string": "La4 Ge6 O18\n1.0\n7.322635 0.004677 -2.612938\n0.074015 2.883433 8.389132\n-0.049899 -2.900796 8.447959\nLa Ge O\n4 6 18\ndirect\n0.799773 0.915181 0.868210 La\n0.200227 0.084818 0.131790 La\n0.816920 0.225345 0.190341 La\n0.183080 0.774654 0.809659 La\n0.485536 0.323079 0.337040 Ge\n0.072977 0.425958 0.426801 Ge\n0.514464 0.676920 0.662961 Ge\n0.513489 0.764190 0.238014 Ge\n0.486511 0.235809 0.761987 Ge\n0.927023 0.574041 0.573200 Ge\n0.681773 0.217778 0.400521 O\n0.970867 0.883556 0.422397 O\n0.029133 0.116443 0.577604 O\n0.463586 0.117005 0.649284 O\n0.536414 0.882994 0.350717 O\n0.011017 0.577541 0.120018 O\n0.988983 0.422458 0.879983 O\n0.318226 0.782221 0.599480 O\n0.322829 0.964005 0.989163 O\n0.481895 0.351584 0.870550 O\n0.327647 0.487356 0.466969 O\n0.672353 0.512643 0.533032 O\n0.715651 0.675480 0.822554 O\n0.677171 0.035994 0.010837 O\n0.992080 0.709297 0.290215 O\n0.007920 0.290702 0.709786 O\n0.518105 0.648415 0.129451 O\n0.284349 0.324519 0.177446 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Ge",
"O"
],
"chemical_system": "Ge-La-O",
"density": 5.955359999461598,
"density_atomic": 0.07848619376346166,
"volume": 356.75064183116336,
"volume_molar": 7.672866361884322,
"formula_full": "La4 Ge6 O18",
"formula_reduced": "La2(GeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.275890667857143,
"spacegroup": 2
}
]
}