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"results": [
{
"id": "jvasp-12582",
"created_at": "2022-09-04T14:38:28.634526Z",
"updated_at": "2022-09-04T14:38:28.634555Z",
"structure_string": "Zn2 H4 Se2 O10\n1.0\n5.125008 -0.061436 -1.596573\n-1.231402 4.975252 -1.596573\n0.006371 0.008040 7.681996\nZn H Se O\n2 4 2 10\ndirect\n-0.000000 0.000000 0.500000 Zn\n0.500000 0.499999 0.000000 Zn\n0.628871 0.036987 0.202307 H\n0.463013 0.871129 0.297694 H\n0.371130 0.963012 0.797695 H\n0.536988 0.128870 0.702307 H\n0.912283 0.587717 0.750001 Se\n0.087718 0.412282 0.250000 Se\n0.196385 0.291573 0.426985 O\n0.813659 0.248397 0.656307 O\n0.748397 0.313658 0.156307 O\n0.186342 0.751602 0.343694 O\n0.381558 0.118442 0.750001 O\n0.618443 0.881557 0.250001 O\n0.791573 0.696384 0.926985 O\n0.803616 0.708426 0.573016 O\n0.208427 0.303615 0.073016 O\n0.251603 0.686341 0.843695 O\n",
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},
{
"id": "jvasp-51725",
"created_at": "2022-09-04T14:37:28.035400Z",
"updated_at": "2022-09-04T14:37:28.035431Z",
"structure_string": "Zn2 H4 S2 O10\n1.0\n3.028988 3.870270 -1.596220\n-3.028988 3.870270 1.596220\n0.068843 0.000000 7.578463\nZn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.423663 0.154180 0.794690 H\n0.154179 0.423664 0.705309 H\n0.576336 0.845821 0.205309 H\n0.845820 0.576337 0.294691 H\n0.841608 0.841608 0.750000 S\n0.158392 0.158392 0.250000 S\n0.381212 0.161878 0.161394 O\n0.161878 0.381212 0.338606 O\n0.618787 0.838123 0.838606 O\n0.838122 0.618788 0.661394 O\n0.117931 0.781151 0.905101 O\n0.882069 0.218850 0.094899 O\n0.781150 0.117932 0.594899 O\n0.363335 0.363335 0.750000 O\n0.218849 0.882069 0.405101 O\n0.636665 0.636665 0.250000 O\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.1008204197719592,
"volume": 178.53526141542878,
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"formula_full": "Zn2 H4 S2 O10",
"formula_reduced": "ZnH2SO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 15
},
{
"id": "jvasp-118071",
"created_at": "2022-09-04T14:38:50.460515Z",
"updated_at": "2022-09-04T14:38:50.460541Z",
"structure_string": "Zn2 H3 Cl1\n1.0\n3.185261 0.000000 -0.000000\n-1.592631 2.758517 0.000000\n-0.000000 -0.000000 7.495586\nZn H Cl\n2 3 1\ndirect\n0.666666 0.333333 0.217185 Zn\n0.333332 0.666667 0.782816 Zn\n0.666666 0.333333 0.787800 H\n0.333332 0.666667 0.212200 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.09110138301933032,
"volume": 65.86069059705594,
"volume_molar": 6.610372488771321,
"formula_full": "Zn2 H3 Cl1",
"formula_reduced": "Zn2H3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9029491445833334,
"spacegroup": 164
},
{
"id": "jvasp-118070",
"created_at": "2022-09-04T14:38:52.556014Z",
"updated_at": "2022-09-04T14:38:52.556034Z",
"structure_string": "Zn2 H2 Cl2\n1.0\n3.604224 -0.000000 -0.000000\n-1.802112 3.121349 0.000000\n0.000000 0.000000 10.289467\nZn H Cl\n2 2 2\ndirect\n0.333332 0.666667 0.725689 Zn\n0.666665 0.333333 0.274312 Zn\n0.333332 0.666667 0.577415 H\n0.666665 0.333333 0.422586 H\n0.333332 0.666667 0.147709 Cl\n0.666665 0.333333 0.852292 Cl\n",
"nsites": 6,
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"elements": [
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"H",
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],
"chemical_system": "Cl-H-Zn",
"density": 2.922659089415753,
"density_atomic": 0.05183275194636661,
"volume": 115.75692539358967,
"volume_molar": 11.61840831108359,
"formula_full": "Zn2 H2 Cl2",
"formula_reduced": "ZnHCl",
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"spacegroup": 164
},
{
"id": "jvasp-118069",
"created_at": "2022-09-04T14:38:54.167036Z",
"updated_at": "2022-09-04T14:38:54.167065Z",
"structure_string": "Zn2 H2 Cl2\n1.0\n3.253048 0.000000 -0.000000\n0.000000 3.253048 0.000000\n-0.000000 -0.000000 7.824261\nZn H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.852596 Zn\n0.500000 0.000000 0.147404 Zn\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.681466 Cl\n0.000000 0.500000 0.318535 Cl\n",
"nsites": 6,
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"elements": [
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],
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"spacegroup": 129
},
{
"id": "jvasp-98431",
"created_at": "2022-09-04T14:35:41.150969Z",
"updated_at": "2022-09-04T14:35:41.150983Z",
"structure_string": "Zn2 H24 C4 N12 Cl8\n1.0\n6.849101 -0.168503 -1.610811\n1.248682 12.220507 -0.770913\n-0.018250 0.065668 6.968172\nZn H C N Cl\n2 24 4 12 8\ndirect\n0.828641 0.775511 0.929695 Zn\n0.171359 0.224489 0.070306 Zn\n0.964702 0.188182 0.628798 H\n0.054627 0.118474 0.435736 H\n0.945372 0.881527 0.564264 H\n0.830419 0.042113 0.165629 H\n0.169580 0.957887 0.834371 H\n0.587654 0.038288 0.181653 H\n0.412345 0.961712 0.818347 H\n0.475676 0.124267 0.440319 H\n0.524324 0.875734 0.559682 H\n0.640059 0.180917 0.640112 H\n0.359940 0.819084 0.359888 H\n0.035298 0.811819 0.371202 H\n0.845443 0.335224 0.346016 H\n0.974230 0.485285 0.252289 H\n0.025769 0.514716 0.747711 H\n0.175010 0.392576 0.800009 H\n0.490628 0.611092 0.186217 H\n0.824989 0.607424 0.199991 H\n0.394681 0.496609 0.258752 H\n0.605318 0.503392 0.741248 H\n0.597059 0.340168 0.350286 H\n0.402940 0.659832 0.649714 H\n0.509371 0.388909 0.813784 H\n0.154557 0.664777 0.653985 H\n0.688173 0.480052 0.266968 C\n0.311827 0.519949 0.733033 C\n0.240499 0.882644 0.586595 C\n0.759501 0.117356 0.413405 C\n0.726287 0.057089 0.245507 N\n0.273712 0.942912 0.754493 N\n0.939586 0.147347 0.494950 N\n0.610803 0.150941 0.498005 N\n0.060413 0.852654 0.505051 N\n0.389197 0.849060 0.501995 N\n0.160927 0.473505 0.771855 N\n0.714976 0.379316 0.338135 N\n0.488880 0.466057 0.762765 N\n0.511119 0.533943 0.237236 N\n0.839072 0.526496 0.228146 N\n0.285024 0.620684 0.661865 N\n0.623996 0.781021 0.138941 Cl\n0.768014 0.652656 0.667646 Cl\n0.231985 0.347345 0.332354 Cl\n0.132562 0.719583 0.105820 Cl\n0.867438 0.280417 0.894180 Cl\n0.786249 0.948049 0.804259 Cl\n0.213750 0.051951 0.195742 Cl\n0.376004 0.218980 0.861060 Cl\n",
"nsites": 50,
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],
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"formula_full": "Zn2 H24 C4 N12 Cl8",
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"formula_anonymous": "AB2C4D6E12",
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"spacegroup": 2
},
{
"id": "jvasp-30463",
"created_at": "2022-09-04T14:38:08.047219Z",
"updated_at": "2022-09-04T14:38:08.047236Z",
"structure_string": "Zn2 H2\n1.0\n1.350529 -2.339184 0.000000\n1.350529 2.339184 0.000000\n0.000000 0.000000 6.606448\nZn H\n2 2\ndirect\n0.000000 0.000000 0.322573 Zn\n0.333337 0.666668 0.822572 Zn\n0.333337 0.666668 0.552428 H\n0.000000 0.000000 0.052426 H\n",
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"volume": 41.74133314967742,
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"spacegroup": 186
},
{
"id": "jvasp-97540",
"created_at": "2022-09-04T14:35:59.861427Z",
"updated_at": "2022-09-04T14:35:59.861457Z",
"structure_string": "Zn2 H16 C8 O16\n1.0\n4.354798 6.734920 -0.699570\n-4.354798 6.734920 0.699570\n0.022317 0.000000 6.599075\nZn H C O\n2 16 8 16\ndirect\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.488115 0.759853 0.253876 H\n0.759853 0.488114 0.246124 H\n0.511886 0.240146 0.746123 H\n0.240147 0.511885 0.753876 H\n0.712004 0.417062 0.045557 H\n0.417062 0.712004 0.454443 H\n0.287996 0.582938 0.954442 H\n0.582939 0.287996 0.545557 H\n0.151136 0.350991 0.389769 H\n0.649009 0.848864 0.889769 H\n0.848864 0.649008 0.610230 H\n0.553375 0.145053 0.122383 H\n0.145053 0.553375 0.377617 H\n0.446625 0.854947 0.877616 H\n0.854947 0.446624 0.622382 H\n0.350991 0.151136 0.110231 H\n0.132617 0.900872 0.003336 C\n0.867383 0.099128 0.996663 C\n0.099128 0.867382 0.503336 C\n0.900872 0.132617 0.496663 C\n0.900352 0.949046 0.504425 C\n0.050954 0.099648 0.004425 C\n0.099648 0.050954 0.495574 C\n0.949047 0.900351 0.995574 C\n0.216660 0.705603 0.505924 O\n0.294397 0.783340 0.005924 O\n0.783340 0.294397 0.494076 O\n0.880487 0.784382 0.989654 O\n0.784383 0.880486 0.510345 O\n0.119514 0.215618 0.010345 O\n0.215618 0.119513 0.489654 O\n0.514057 0.746751 0.403884 O\n0.253249 0.485943 0.903884 O\n0.485943 0.253248 0.596115 O\n0.098985 0.473371 0.307558 O\n0.473372 0.098985 0.192442 O\n0.901015 0.526628 0.692442 O\n0.526629 0.901015 0.807557 O\n0.746752 0.514057 0.096116 O\n0.705603 0.216660 0.994075 O\n",
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"density_atomic": 0.10844259438834176,
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"formula_reduced": "ZnH8(CO2)4",
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"spacegroup": 15
},
{
"id": "jvasp-33314",
"created_at": "2022-09-04T14:36:46.773960Z",
"updated_at": "2022-09-04T14:36:46.773979Z",
"structure_string": "Zn2 H16 C4 S4 N12\n1.0\n6.631783 0.000000 -1.981988\n0.000000 14.920772 0.000000\n-0.049822 0.000000 4.188360\nZn H C S N\n2 16 4 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.220656 0.529197 0.405444 H\n0.279344 0.029197 0.594556 H\n0.779344 0.470802 0.594555 H\n0.720656 0.970802 0.405444 H\n0.246662 0.626336 0.607448 H\n0.253338 0.126336 0.392552 H\n0.753338 0.373664 0.392551 H\n0.746662 0.873664 0.607448 H\n0.366948 0.658984 0.186750 H\n0.133052 0.158984 0.813249 H\n0.633052 0.341016 0.813249 H\n0.866948 0.841016 0.186750 H\n0.577612 0.628262 0.476313 H\n0.922388 0.128262 0.523686 H\n0.422388 0.371738 0.523687 H\n0.077612 0.871738 0.476313 H\n0.125019 0.373683 0.048568 C\n0.374982 0.873683 0.951431 C\n0.625018 0.126317 0.048568 C\n0.874981 0.626316 0.951431 C\n0.492256 0.207627 0.130519 S\n0.007744 0.707627 0.869481 S\n0.507743 0.792373 0.869480 S\n0.992256 0.292373 0.130519 S\n0.276597 0.933787 0.006075 N\n0.776597 0.566213 0.006075 N\n0.723403 0.066213 0.993924 N\n0.325917 0.574041 0.543264 N\n0.174084 0.074041 0.456736 N\n0.440367 0.605390 0.327684 N\n0.825916 0.925959 0.543263 N\n0.059633 0.105390 0.672316 N\n0.559633 0.394610 0.672316 N\n0.940367 0.894610 0.327683 N\n0.674083 0.425959 0.456736 N\n0.223403 0.433787 0.993925 N\n",
"nsites": 38,
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"elements": [
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"density_atomic": 0.09201628370657385,
"volume": 412.97038382006724,
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"formula_full": "Zn2 H16 C4 S4 N12",
"formula_reduced": "ZnH8C2(SN3)2",
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"spacegroup": 14
},
{
"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,
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"elements": [
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],
"chemical_system": "H-O-Se-Zn",
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"volume": 356.730902297791,
"volume_molar": 6.318481491409132,
"formula_full": "Zn2 H12 Se4 O16",
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{
"id": "jvasp-97938",
"created_at": "2022-09-04T14:36:13.042941Z",
"updated_at": "2022-09-04T14:36:13.042969Z",
"structure_string": "Zn2 H12 C4 N8 O8\n1.0\n6.193585 0.000000 -2.295582\n0.000000 5.037858 0.000000\n0.247348 0.000000 9.027577\nZn H C N O\n2 12 4 8 8\ndirect\n0.012890 0.779398 0.746237 Zn\n0.012890 0.220602 0.246237 Zn\n0.511509 0.937530 0.089633 H\n0.511509 0.062470 0.589633 H\n0.386012 0.004713 0.794347 H\n0.386012 0.995287 0.294347 H\n0.249122 0.174481 0.892610 H\n0.249122 0.825519 0.392610 H\n0.617534 0.579830 0.348241 H\n0.617534 0.420170 0.848241 H\n0.880065 0.353035 0.565044 H\n0.880065 0.646965 0.065044 H\n0.685460 0.482251 0.627717 H\n0.685460 0.517750 0.127717 H\n0.826075 0.103119 0.924853 C\n0.826075 0.896881 0.424853 C\n0.313351 0.606433 0.029513 C\n0.313351 0.393568 0.529514 C\n0.809310 0.526057 0.585647 N\n0.399846 0.841960 -0.000356 N\n0.399846 0.158041 0.499645 N\n0.290215 -0.012223 0.863430 N\n0.290215 0.012223 0.363429 N\n0.723315 0.670893 0.444451 N\n0.723315 0.329107 0.944451 N\n0.809310 0.473943 0.085647 N\n0.972725 0.003775 0.041010 O\n0.972725 0.996225 0.541010 O\n0.407343 0.511164 0.657736 O\n0.764718 0.004806 0.287974 O\n0.149106 0.488329 0.421918 O\n0.149106 0.511671 0.921918 O\n0.407343 0.488836 0.157735 O\n0.764718 -0.004806 0.787974 O\n",
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"elements": [
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],
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"volume_molar": 5.039869707330565,
"formula_full": "Zn2 H12 C4 N8 O8",
"formula_reduced": "ZnH6C2(NO)4",
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"spacegroup": 7
},
{
"id": "jvasp-120438",
"created_at": "2022-09-04T14:38:50.662667Z",
"updated_at": "2022-09-04T14:38:50.662692Z",
"structure_string": "Zn2 H12 C4\n1.0\n6.900641 0.000000 0.000000\n-0.000000 3.280255 2.146214\n-0.000000 0.035450 7.727036\nZn H C\n2 12 4\ndirect\n0.500000 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.677080 0.782727 0.190772 H\n0.822920 0.782727 0.690772 H\n0.322920 0.217275 0.809228 H\n0.177080 0.217275 0.309228 H\n0.808553 0.099506 0.248993 H\n0.691447 0.099506 0.748993 H\n0.308553 0.900495 0.251006 H\n0.873040 0.574937 0.373207 H\n0.626959 0.574937 0.873208 H\n0.126959 0.425064 0.626792 H\n0.373040 0.425064 0.126792 H\n0.191447 0.900495 0.751006 H\n0.678586 0.846053 0.727155 C\n0.321414 0.153948 0.272844 C\n0.178586 0.153948 0.772845 C\n0.821414 0.846053 0.227155 C\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zn",
"H",
"C"
],
"chemical_system": "C-H-Zn",
"density": 1.8183530059146842,
"density_atomic": 0.10322101271763016,
"volume": 174.38309822865745,
"volume_molar": 5.834219798321566,
"formula_full": "Zn2 H12 C4",
"formula_reduced": "Zn(H3C)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.4031689333333337,
"spacegroup": 14
}
]
}