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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1297",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1295",
"results": [
{
"id": "jvasp-10014",
"created_at": "2022-09-04T14:37:53.544566Z",
"updated_at": "2022-09-04T14:37:53.544586Z",
"structure_string": "Rb4 Si2 As4\n1.0\n5.972345 -0.000000 -2.450782\n-1.285234 6.415866 -3.132006\n-0.024451 0.015481 8.442852\nRb Si As\n4 2 4\ndirect\n0.644856 0.983801 0.289711 Rb\n0.355144 0.016199 0.710289 Rb\n0.855144 0.694090 0.710289 Rb\n0.144856 0.305911 0.289711 Rb\n0.750000 0.500000 0.000000 Si\n0.250000 0.500000 0.000000 Si\n0.401896 0.564900 0.803792 As\n0.598104 0.435100 0.196208 As\n0.901896 0.238892 0.803792 As\n0.098104 0.761108 0.196208 As\n",
"nsites": 10,
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"elements": [
"Rb",
"Si",
"As"
],
"chemical_system": "As-Rb-Si",
"density": 3.581856616617047,
"density_atomic": 0.030915236576026118,
"volume": 323.4650970697961,
"volume_molar": 19.479523455013755,
"formula_full": "Rb4 Si2 As4",
"formula_reduced": "Rb2SiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1583524199999995,
"spacegroup": 72
},
{
"id": "jvasp-10126",
"created_at": "2022-09-04T14:38:12.782973Z",
"updated_at": "2022-09-04T14:38:12.782989Z",
"structure_string": "Rb4 Se6\n1.0\n6.709561 -0.047393 0.000000\n-2.143636 6.358088 -0.000000\n0.000000 -0.000000 7.840402\nRb Se\n4 6\ndirect\n0.419487 0.580513 0.827649 Rb\n0.580513 0.419488 0.327650 Rb\n0.902710 0.097291 0.548025 Rb\n0.097290 0.902710 0.048026 Rb\n0.405892 0.081975 0.676027 Se\n0.594108 0.918026 0.176027 Se\n0.918025 0.594109 0.676027 Se\n0.081974 0.405892 0.176027 Se\n0.788222 0.211779 -0.004730 Se\n0.211778 0.788222 0.495270 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 4.0590037108727515,
"density_atomic": 0.029969294579076104,
"volume": 333.67485422836006,
"volume_molar": 20.09436940235665,
"formula_full": "Rb4 Se6",
"formula_reduced": "Rb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6308473466666666,
"spacegroup": 36
},
{
"id": "jvasp-53204",
"created_at": "2022-09-04T14:38:14.275875Z",
"updated_at": "2022-09-04T14:38:14.275900Z",
"structure_string": "Rb4 Se2 O8\n1.0\n6.201221 -0.093346 0.062901\n-3.181450 5.510433 -0.125800\n-0.083332 0.144335 8.419878\nRb Se O\n4 2 8\ndirect\n0.000008 0.004739 0.505346 Rb\n-0.000008 0.004731 0.005345 Rb\n0.383025 0.702689 0.755349 Rb\n0.616975 0.319662 0.255349 Rb\n0.301232 0.648543 0.255352 Se\n0.698768 0.347311 0.755352 Se\n0.132869 0.787729 0.255376 O\n0.101261 0.344151 0.255341 O\n0.482580 0.726993 0.093899 O\n0.482596 0.726941 0.416797 O\n0.517405 0.244345 0.916797 O\n0.517420 0.244412 0.593899 O\n0.867132 0.654861 0.755376 O\n0.898740 0.242891 0.755341 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Se",
"O"
],
"chemical_system": "O-Rb-Se",
"density": 3.6535342844354175,
"density_atomic": 0.04906595115144766,
"volume": 285.33024778807203,
"volume_molar": 12.273563680467488,
"formula_full": "Rb4 Se2 O8",
"formula_reduced": "Rb2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.280965338095238,
"spacegroup": 40
},
{
"id": "jvasp-57094",
"created_at": "2022-09-04T14:37:01.223664Z",
"updated_at": "2022-09-04T14:37:01.223690Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n-7.451904 -0.087444 -0.045690\n2.234684 9.381099 -0.177731\n-0.543869 -1.820371 -11.372077\nRb Sb S\n4 8 14\ndirect\n0.287116 0.331923 0.107732 Rb\n0.418896 0.724446 0.559106 Rb\n0.581105 0.275555 0.440894 Rb\n0.712885 0.668077 0.892268 Rb\n0.501220 0.804090 0.233896 Sb\n0.862024 0.562783 0.187593 Sb\n0.959658 0.044258 0.659483 Sb\n0.256184 0.865006 0.950520 Sb\n0.743816 0.134995 0.049480 Sb\n0.137977 0.437217 0.812407 Sb\n0.040342 0.955743 0.340517 Sb\n0.498780 0.195910 0.766104 Sb\n0.945527 0.299625 0.641768 S\n0.762540 0.979132 0.458734 S\n0.110276 0.678026 0.767476 S\n0.889724 0.321975 0.232524 S\n0.553391 0.936810 0.843850 S\n0.446610 0.063191 0.156150 S\n0.818522 0.867935 0.145448 S\n0.054473 0.700376 0.358232 S\n0.237460 0.020869 0.541266 S\n0.439968 0.438612 0.706592 S\n0.669226 0.335874 0.948533 S\n0.560032 0.561389 0.293408 S\n0.330775 0.664127 0.051467 S\n0.181479 0.132065 0.854552 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"Sb",
"S"
],
"chemical_system": "Rb-S-Sb",
"density": 3.685752894436023,
"density_atomic": 0.03269940952626094,
"volume": 795.121391385351,
"volume_molar": 18.416665154652442,
"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.6368818769230769,
"spacegroup": 2
},
{
"id": "jvasp-21248",
"created_at": "2022-09-04T14:36:38.111651Z",
"updated_at": "2022-09-04T14:36:38.111680Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n0.000000 7.100730 -0.053892\n12.462921 0.000000 0.000000\n0.000000 -6.655600 -8.391035\nRb Sb S\n4 8 14\ndirect\n0.149867 0.437019 0.852868 Rb\n0.149867 0.062981 0.352868 Rb\n0.850133 0.562981 0.147132 Rb\n0.850132 0.937019 0.647131 Rb\n0.594519 0.363232 0.347982 Sb\n0.405481 0.863232 0.152017 Sb\n0.405481 0.636768 0.652017 Sb\n0.594518 0.136768 0.847982 Sb\n0.672312 0.654904 0.451353 Sb\n0.672311 0.845096 0.951353 Sb\n0.327688 0.345096 0.548646 Sb\n0.327688 0.154904 0.048646 Sb\n0.319763 0.699096 0.830334 S\n0.829653 0.728675 0.850150 S\n0.170346 0.228675 0.649849 S\n0.680237 0.300904 0.169665 S\n0.319763 0.800904 0.330334 S\n0.680236 0.199096 0.669665 S\n0.170346 0.271324 0.149850 S\n0.000000 0.000000 0.000000 S\n0.380102 0.962513 0.718183 S\n0.380103 0.537487 0.218184 S\n0.619897 0.037487 0.281816 S\n0.829654 0.771324 0.350150 S\n-0.000000 0.500000 0.500000 S\n0.619897 0.462513 0.781816 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"S"
],
"chemical_system": "Rb-S-Sb",
"density": 3.92296727369026,
"density_atomic": 0.034803937516854566,
"volume": 747.0419112035509,
"volume_molar": 17.303044395720015,
"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.636764953846154,
"spacegroup": 14
},
{
"id": "jvasp-24941",
"created_at": "2022-09-04T14:38:03.189491Z",
"updated_at": "2022-09-04T14:38:03.189518Z",
"structure_string": "Rb4 Sb8 O22\n1.0\n7.284764 0.003438 -0.609254\n-0.235432 7.147468 -2.774853\n0.011304 -0.006171 10.585797\nRb Sb O\n4 8 22\ndirect\n0.745468 0.491887 0.983776 Rb\n0.005009 0.733438 0.466877 Rb\n0.254531 0.508113 0.016225 Rb\n0.994990 0.266562 0.533124 Rb\n0.435276 0.916667 0.348690 Sb\n0.902701 0.927767 0.855538 Sb\n0.618004 0.075692 0.151381 Sb\n0.381995 0.924309 0.848621 Sb\n0.435275 0.432027 0.348690 Sb\n0.564724 0.083334 0.651311 Sb\n0.097298 0.072233 0.144463 Sb\n0.564725 0.567973 0.651311 Sb\n0.430302 0.656347 0.824203 O\n0.430298 0.167852 0.824201 O\n0.332786 0.476240 0.528264 O\n0.345045 0.023914 0.047827 O\n0.645813 0.339938 0.679880 O\n0.812862 0.671445 0.741106 O\n0.332786 0.052026 0.528265 O\n-0.000000 0.171606 -0.000001 O\n0.187138 0.328556 0.258895 O\n0.492271 0.833551 0.667105 O\n0.507728 0.166449 0.332896 O\n0.569701 0.832149 0.175800 O\n0.000000 0.828394 0.000002 O\n0.812861 0.069652 0.741103 O\n0.354187 0.660063 0.320121 O\n0.654954 0.976087 0.952174 O\n0.569697 0.343653 0.175798 O\n0.667214 0.947974 0.471736 O\n0.132621 0.881091 0.762191 O\n0.667214 0.523761 0.471737 O\n0.187138 0.930348 0.258898 O\n0.867378 0.118910 0.237810 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-Rb-Sb",
"density": 5.025638776046911,
"density_atomic": 0.061693752428252,
"volume": 551.1092884087573,
"volume_molar": 9.761346202767566,
"formula_full": "Rb4 Sb8 O22",
"formula_reduced": "Rb2Sb4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.194841347058824,
"spacegroup": 12
},
{
"id": "jvasp-10700",
"created_at": "2022-09-04T14:36:50.428887Z",
"updated_at": "2022-09-04T14:36:50.428897Z",
"structure_string": "Rb4 Sb4 S8\n1.0\n6.491006 0.033948 -0.009967\n-1.594842 6.288621 -0.058588\n-2.237680 -2.614831 11.709564\nRb Sb S\n4 4 8\ndirect\n0.637162 0.759647 0.469128 Rb\n0.504552 0.109274 0.160913 Rb\n0.969157 0.150573 0.895191 Rb\n0.172318 0.718188 0.734820 Rb\n0.653360 0.629014 0.968254 Sb\n0.057778 0.218298 0.401687 Sb\n0.083739 0.650943 0.228270 Sb\n0.487887 0.239537 0.661646 Sb\n0.048260 0.259238 0.180318 S\n0.093553 0.610021 0.449742 S\n0.497815 0.234755 0.906531 S\n0.448043 0.221794 0.437127 S\n0.643634 0.633785 0.723494 S\n0.091146 0.192027 0.633774 S\n0.050192 0.676789 0.996217 S\n0.693410 0.647117 0.192881 S\n",
"nsites": 16,
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"elements": [
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"Sb",
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],
"chemical_system": "Rb-S-Sb",
"density": 3.7751322137094623,
"density_atomic": 0.03351203110642156,
"volume": 477.44047351800435,
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"formula_full": "Rb4 Sb4 S8",
"formula_reduced": "RbSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.907676525,
"spacegroup": 2
},
{
"id": "jvasp-21022",
"created_at": "2022-09-04T14:37:45.572364Z",
"updated_at": "2022-09-04T14:37:45.572391Z",
"structure_string": "Rb4 Sb12 Se20\n1.0\n0.000000 8.735551 0.093966\n13.020719 0.000000 0.000000\n0.000000 -7.629945 -9.745382\nRb Sb Se\n4 12 20\ndirect\n0.322328 0.750488 0.700197 Rb\n0.677672 0.250487 0.799802 Rb\n0.677672 0.249513 0.299803 Rb\n0.322328 0.749513 0.200197 Rb\n0.735319 0.899398 0.125545 Sb\n0.264681 0.399398 0.374454 Sb\n0.264681 0.100602 0.874454 Sb\n0.134755 0.437312 0.957165 Sb\n0.865245 0.937312 0.542834 Sb\n0.735319 0.600602 0.625545 Sb\n0.134755 0.062688 0.457165 Sb\n0.181220 0.460290 0.677951 Sb\n0.818780 0.960290 0.822049 Sb\n0.818780 0.539710 0.322049 Sb\n0.181220 0.039710 0.177951 Sb\n0.865244 0.562688 0.042835 Sb\n0.897476 0.127014 0.643732 Se\n0.597003 0.982293 0.283877 Se\n0.402997 0.482293 0.216123 Se\n0.370666 0.357731 0.911901 Se\n0.629334 0.857731 0.588098 Se\n0.629333 0.642269 0.088098 Se\n0.370666 0.142269 0.411901 Se\n0.102524 0.627014 0.856268 Se\n0.897476 0.372986 0.143732 Se\n0.178210 0.309278 0.536399 Se\n0.813600 0.408495 0.600243 Se\n0.186400 0.908495 0.899756 Se\n0.186399 0.591505 0.399756 Se\n0.813600 0.091505 0.100243 Se\n0.821790 0.690722 0.463601 Se\n0.178210 0.190722 0.036399 Se\n0.597003 0.517707 0.783877 Se\n0.821790 0.809278 0.963601 Se\n0.102524 0.872986 0.356268 Se\n0.402997 0.017707 0.716123 Se\n",
"nsites": 36,
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"elements": [
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"Sb",
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],
"chemical_system": "Rb-Sb-Se",
"density": 5.1097085417295816,
"density_atomic": 0.032753021984509245,
"volume": 1099.1352192486677,
"volume_molar": 18.386519457191493,
"formula_full": "Rb4 Sb12 Se20",
"formula_reduced": "RbSb3Se5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.373477237037037,
"spacegroup": 14
},
{
"id": "jvasp-10125",
"created_at": "2022-09-04T14:38:11.621752Z",
"updated_at": "2022-09-04T14:38:11.621764Z",
"structure_string": "Rb4 S6\n1.0\n6.417512 -0.028226 -0.000000\n-2.029109 6.088348 0.000000\n0.000000 -0.000000 7.634640\nRb S\n4 6\ndirect\n0.427554 0.572445 0.813296 Rb\n0.572445 0.427554 0.313296 Rb\n0.895658 0.104341 0.538719 Rb\n0.104341 0.895659 0.038719 Rb\n0.387090 0.064128 0.653383 S\n0.612910 0.935872 0.153383 S\n0.935871 0.612910 0.653383 S\n0.064128 0.387090 0.153383 S\n0.794289 0.205710 -0.001379 S\n0.205711 0.794289 0.498621 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Rb-S",
"density": 2.978414161041905,
"density_atomic": 0.03357239740705504,
"volume": 297.8637443955242,
"volume_molar": 17.937773960505076,
"formula_full": "Rb4 S6",
"formula_reduced": "Rb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8533619999999997,
"spacegroup": 36
},
{
"id": "jvasp-117144",
"created_at": "2022-09-04T14:38:48.317340Z",
"updated_at": "2022-09-04T14:38:48.317369Z",
"structure_string": "Rb4 S4 O16\n1.0\n7.554833 0.000000 0.000000\n-0.000000 6.797994 3.303685\n-0.000000 0.458871 7.706271\nRb S O\n4 4 16\ndirect\n0.493073 0.249989 0.000007 Rb\n0.993073 0.750010 -0.000006 Rb\n0.743424 0.249987 0.500021 Rb\n0.243424 0.750012 0.499980 Rb\n0.993052 0.250019 0.000001 S\n0.493052 0.749980 -0.000000 S\n0.243471 0.250012 0.500004 S\n0.743471 0.749987 0.499997 S\n0.629570 0.926821 0.373390 O\n0.129570 0.073178 0.626611 O\n0.857388 0.698829 0.374088 O\n0.357388 0.301170 0.625913 O\n0.857392 0.801182 0.625877 O\n0.357392 0.198817 0.374124 O\n0.606948 0.926821 0.873409 O\n0.606903 0.573107 0.126621 O\n0.379116 0.801162 0.125877 O\n0.879116 0.198837 0.874124 O\n0.129615 0.426883 0.373374 O\n0.106903 0.426893 0.873380 O\n0.379145 0.698837 0.874073 O\n0.879145 0.301162 0.125928 O\n0.106948 0.073178 0.126592 O\n0.629615 0.573116 0.626627 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.1373389557182976,
"density_atomic": 0.0624473811869401,
"volume": 384.3235623949468,
"volume_molar": 9.64354412552922,
"formula_full": "Rb4 S4 O16",
"formula_reduced": "RbSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7077456666666668,
"spacegroup": 141
},
{
"id": "jvasp-112535",
"created_at": "2022-09-04T14:38:42.106061Z",
"updated_at": "2022-09-04T14:38:42.106073Z",
"structure_string": "Rb4 S4 N2 O12\n1.0\n7.311946 0.099435 0.483811\n3.464633 6.439780 0.483811\n0.027724 0.016823 7.599310\nRb S N O\n4 4 2 12\ndirect\n0.294663 -0.009084 0.150538 Rb\n0.009084 0.705337 0.349462 Rb\n0.705337 0.009085 0.849462 Rb\n-0.009085 0.294663 0.650538 Rb\n0.778331 0.425681 0.142676 S\n0.574320 0.221669 0.357324 S\n0.221669 0.574319 0.857324 S\n0.425680 0.778331 0.642676 S\n0.562128 0.437872 0.250000 N\n0.437871 0.562128 0.750000 N\n0.631981 0.066610 0.222103 O\n0.933391 0.368020 0.277897 O\n0.637303 0.704783 0.567640 O\n0.295217 0.362696 0.932360 O\n0.362696 0.295218 0.432360 O\n0.848307 0.265770 0.010228 O\n0.265769 0.848307 0.510228 O\n0.151693 0.734230 -0.010228 O\n0.734230 0.151693 0.489772 O\n0.066609 0.631980 0.722103 O\n0.704782 0.637304 0.067640 O\n0.368019 0.933391 0.777897 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Rb-S",
"density": 3.22728928595151,
"density_atomic": 0.061954936498013,
"volume": 355.0968049286206,
"volume_molar": 9.72019519412007,
"formula_full": "Rb4 S4 N2 O12",
"formula_reduced": "Rb2S2NO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.24085675,
"spacegroup": 15
},
{
"id": "jvasp-99030",
"created_at": "2022-09-04T14:36:31.676034Z",
"updated_at": "2022-09-04T14:36:31.676061Z",
"structure_string": "Rb4 S4 F20\n1.0\n6.018661 -0.000000 0.000000\n-0.000000 7.693199 0.000000\n0.000000 0.000000 9.758248\nRb S F\n4 4 20\ndirect\n0.250000 0.852568 0.156608 Rb\n0.750000 0.352568 0.343392 Rb\n0.250000 0.647433 0.656608 Rb\n0.750000 0.147433 0.843392 Rb\n0.250000 0.354171 0.097026 S\n0.750000 0.645829 0.902974 S\n0.750000 0.854172 0.402974 S\n0.250000 0.145829 0.597026 S\n0.037685 0.309704 0.579248 F\n0.537685 0.690296 0.420752 F\n0.962315 0.809704 0.920752 F\n0.462315 0.190296 0.079248 F\n0.955702 0.006695 0.355101 F\n0.455702 -0.006695 0.644899 F\n0.250000 0.201525 0.757548 F\n0.044298 -0.006695 0.644899 F\n0.544297 0.006695 0.355101 F\n0.955702 0.493305 0.855101 F\n0.455702 0.506695 0.144899 F\n0.537685 0.809704 0.920752 F\n0.037685 0.190296 0.079248 F\n0.462315 0.309704 0.579248 F\n0.962315 0.690296 0.420752 F\n0.250000 0.298475 0.257548 F\n0.750000 0.701525 0.742453 F\n0.750000 0.798475 0.242453 F\n0.544297 0.493305 0.855101 F\n0.044298 0.506695 0.144899 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"S",
"F"
],
"chemical_system": "F-Rb-S",
"density": 3.124208700081888,
"density_atomic": 0.06196969107555012,
"volume": 451.83378380673065,
"volume_molar": 9.717880879312645,
"formula_full": "Rb4 S4 F20",
"formula_reduced": "RbSF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}