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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4399",
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"results": [
{
"id": "jvasp-38120",
"created_at": "2022-09-04T14:38:01.012281Z",
"updated_at": "2022-09-04T14:38:01.012307Z",
"structure_string": "Rb2 Li1 In1 Cl6\n1.0\n0.000000 5.069059 5.069059\n5.069059 0.000000 5.069059\n5.069059 5.069059 0.000000\nRb Li In 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 Li\n0.500000 0.500000 0.500000 In\n0.250192 0.749808 0.749808 Cl\n0.250192 0.749808 0.250192 Cl\n0.749808 0.250192 0.749808 Cl\n0.749808 0.749808 0.250192 Cl\n0.250192 0.250192 0.749808 Cl\n0.749808 0.250192 0.250192 Cl\n",
"nsites": 10,
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],
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"volume": 260.5025830692656,
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"formula_full": "Rb2 Li1 In1 Cl6",
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{
"id": "jvasp-101520",
"created_at": "2022-09-04T14:37:05.454814Z",
"updated_at": "2022-09-04T14:37:05.454833Z",
"structure_string": "Rb2 Li1 La1 Cl6\n1.0\n6.452386 -0.000000 3.725287\n2.150795 6.083368 3.725287\n-0.000000 -0.000000 7.450573\nRb Li La Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.739020 0.260981 0.260980 Cl\n0.260981 0.260981 0.739019 Cl\n0.260981 0.739020 0.739019 Cl\n0.260981 0.739020 0.260980 Cl\n0.739020 0.260981 0.739019 Cl\n0.739020 0.739020 0.260980 Cl\n",
"nsites": 10,
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"volume": 292.45166847722726,
"volume_molar": 17.611851130667173,
"formula_full": "Rb2 Li1 La1 Cl6",
"formula_reduced": "Rb2LiLaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107863",
"created_at": "2022-09-04T14:37:49.525835Z",
"updated_at": "2022-09-04T14:37:49.525860Z",
"structure_string": "Rb2 Li1 Lu1 Cl6\n1.0\n6.237490 -0.000000 3.601217\n2.079163 5.880762 3.601217\n-0.000000 -0.000000 7.202433\nRb Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.748438 0.251562 0.251563 Cl\n0.251562 0.251562 0.748438 Cl\n0.251562 0.748438 0.748438 Cl\n0.251562 0.748438 0.251563 Cl\n0.748438 0.251562 0.748438 Cl\n0.748437 0.748438 0.251563 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Lu",
"Cl"
],
"chemical_system": "Cl-Li-Lu-Rb",
"density": 3.5547275419386275,
"density_atomic": 0.03785099559164031,
"volume": 264.19384335054525,
"volume_molar": 15.910125125823734,
"formula_full": "Rb2 Li1 Lu1 Cl6",
"formula_reduced": "Rb2LiLuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109150",
"created_at": "2022-09-04T14:37:58.399469Z",
"updated_at": "2022-09-04T14:37:58.399496Z",
"structure_string": "Rb1 Li1 Mn1 S2\n1.0\n3.757001 0.004262 -5.943106\n-0.311451 3.744071 -5.943106\n-0.003917 -0.004262 7.031042\nRb Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.499999 Li\n0.750000 0.250000 0.499999 Mn\n0.660641 0.660640 -0.000001 S\n0.339359 0.339359 -0.000001 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-Rb-S",
"density": 3.557143575833016,
"density_atomic": 0.0506476709651097,
"volume": 98.72122260951373,
"volume_molar": 11.890261971075724,
"formula_full": "Rb1 Li1 Mn1 S2",
"formula_reduced": "RbLiMnS2",
"formula_anonymous": "ABCD2",
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"spacegroup": 119
},
{
"id": "jvasp-102414",
"created_at": "2022-09-04T14:36:45.331588Z",
"updated_at": "2022-09-04T14:36:45.331607Z",
"structure_string": "Rb2 Li1 Mo1 Br6\n1.0\n6.492559 -0.000000 3.748481\n2.164186 6.121244 3.748481\n-0.000000 -0.000000 7.496962\nRb Li Mo Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.754274 0.245726 0.245726 Br\n0.245727 0.245726 0.754273 Br\n0.245727 0.754273 0.754273 Br\n0.245727 0.754273 0.245726 Br\n0.754274 0.245726 0.754273 Br\n0.754274 0.754273 0.245726 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Li",
"Mo",
"Br"
],
"chemical_system": "Br-Li-Mo-Rb",
"density": 4.1979949551299045,
"density_atomic": 0.03356287026787818,
"volume": 297.9482958455625,
"volume_molar": 17.942865767841006,
"formula_full": "Rb2 Li1 Mo1 Br6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-109892",
"created_at": "2022-09-04T14:37:51.185156Z",
"updated_at": "2022-09-04T14:37:51.185165Z",
"structure_string": "Rb2 Li1 Mo1 Cl6\n1.0\n6.115988 -0.000000 3.531067\n2.038663 5.766209 3.531067\n-0.000000 -0.000000 7.062134\nRb Li Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.754305 0.245695 0.245695 Cl\n0.245695 0.245695 0.754305 Cl\n0.245694 0.754305 0.754305 Cl\n0.245694 0.754305 0.245695 Cl\n0.754305 0.245695 0.754305 Cl\n0.754305 0.754305 0.245695 Cl\n",
"nsites": 10,
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"elements": [
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"Li",
"Mo",
"Cl"
],
"chemical_system": "Cl-Li-Mo-Rb",
"density": 3.2439180187171286,
"density_atomic": 0.04015198698996095,
"volume": 249.05367703222913,
"volume_molar": 14.99836299883663,
"formula_full": "Rb2 Li1 Mo1 Cl6",
"formula_reduced": "Rb2LiMoCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-100127",
"created_at": "2022-09-04T14:36:20.773730Z",
"updated_at": "2022-09-04T14:36:20.773749Z",
"structure_string": "Rb2 Li1 Mo1 I6\n1.0\n7.020683 0.000000 4.053394\n2.340227 6.619164 4.053394\n-0.000000 -0.000000 8.106787\nRb Li Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.755237 0.244763 0.244763 I\n0.244763 0.244763 0.755237 I\n0.244763 0.755236 0.755237 I\n0.244763 0.755236 0.244763 I\n0.755237 0.244763 0.755237 I\n0.755237 0.755236 0.244763 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mo",
"I"
],
"chemical_system": "I-Li-Mo-Rb",
"density": 4.563103381716888,
"density_atomic": 0.026544144445397676,
"volume": 376.7309216000683,
"volume_molar": 22.687266385201358,
"formula_full": "Rb2 Li1 Mo1 I6",
"formula_reduced": "Rb2LiMoI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-56624",
"created_at": "2022-09-04T14:37:03.049973Z",
"updated_at": "2022-09-04T14:37:03.049987Z",
"structure_string": "Rb2 Li2 Mo2 O8\n1.0\n5.416465 0.012991 -1.448061\n-2.900973 4.794352 -0.183549\n0.073394 -0.032203 9.855301\nRb Li Mo O\n2 2 2 8\ndirect\n0.973819 0.463330 0.498301 Rb\n0.034970 0.024483 0.998301 Rb\n0.740839 0.364515 0.127924 Li\n0.763409 0.887086 0.627924 Li\n0.501526 0.251877 0.751931 Mo\n0.500055 0.750406 0.251931 Mo\n0.134029 0.492887 0.226483 O\n0.630947 0.215482 0.929396 O\n0.525437 0.071859 0.221887 O\n0.150028 0.196451 0.721886 O\n0.713914 0.798449 0.429396 O\n0.492656 0.004497 0.629079 O\n0.624582 0.636422 0.129079 O\n0.733596 0.592455 0.726484 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-Rb",
"density": 3.2655128547114374,
"density_atomic": 0.05455106413255885,
"volume": 256.6402731572763,
"volume_molar": 11.039456068842624,
"formula_full": "Rb2 Li2 Mo2 O8",
"formula_reduced": "RbLiMoO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 9
},
{
"id": "jvasp-106404",
"created_at": "2022-09-04T14:36:54.327028Z",
"updated_at": "2022-09-04T14:36:54.327057Z",
"structure_string": "Rb2 Li1 Nb1 F6\n1.0\n5.151796 -0.000000 2.974391\n1.717265 4.857160 2.974391\n-0.000000 -0.000000 5.948782\nRb Li Nb F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Nb\n0.251300 0.251299 0.748700 F\n0.251300 0.748701 0.748700 F\n0.748702 0.748701 0.251298 F\n0.251300 0.748701 0.251299 F\n0.748702 0.251299 0.748700 F\n0.748702 0.251299 0.251299 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "F-Li-Nb-Rb",
"density": 4.292250067239395,
"density_atomic": 0.06717858912469177,
"volume": 148.8569517504865,
"volume_molar": 8.964375165459582,
"formula_full": "Rb2 Li1 Nb1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-91420",
"created_at": "2022-09-04T14:35:46.465794Z",
"updated_at": "2022-09-04T14:35:46.465813Z",
"structure_string": "Rb8 Li4 Nb4 S16\n1.0\n7.041695 0.043767 0.291883\n1.168688 10.789806 3.592270\n0.051034 0.006479 11.867612\nRb Li Nb S\n8 4 4 16\ndirect\n0.265482 0.371978 0.278110 Rb\n0.734519 0.628023 0.721889 Rb\n0.749500 0.156197 0.856334 Rb\n0.751747 0.651547 0.348109 Rb\n0.250500 0.843804 0.143665 Rb\n0.675466 0.098304 0.251823 Rb\n0.324534 0.901696 0.748177 Rb\n0.248253 0.348454 0.651891 Rb\n0.171084 0.009438 0.414394 Li\n0.783651 0.480603 0.071386 Li\n0.828916 0.990563 0.585605 Li\n0.216349 0.519398 0.928614 Li\n0.776769 0.274682 0.485938 Nb\n0.223231 0.725319 0.514062 Nb\n0.211578 0.229205 0.013202 Nb\n0.788423 0.770796 0.986797 Nb\n0.266098 0.101093 0.898369 S\n0.454786 0.856813 0.465290 S\n0.160576 0.115651 0.206984 S\n0.061115 0.146563 0.532168 S\n0.958472 0.376320 0.935533 S\n0.533698 0.661745 0.993905 S\n0.733902 0.898907 0.101631 S\n0.041529 0.623681 0.064466 S\n0.240331 0.619275 0.713297 S\n0.938885 0.853438 0.467831 S\n0.746900 0.404429 0.599367 S\n0.253100 0.595572 0.400633 S\n0.759669 0.380726 0.286702 S\n0.466302 0.338256 0.006094 S\n0.545214 0.143188 0.534709 S\n0.839424 0.884350 0.793015 S\n",
"nsites": 32,
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"elements": [
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],
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"density": 2.9425144246875976,
"density_atomic": 0.03552546857969608,
"volume": 900.7622215654321,
"volume_molar": 16.95161527986669,
"formula_full": "Rb8 Li4 Nb4 S16",
"formula_reduced": "Rb2LiNbS4",
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"spacegroup": 2
},
{
"id": "jvasp-99728",
"created_at": "2022-09-04T14:36:32.428181Z",
"updated_at": "2022-09-04T14:36:32.428214Z",
"structure_string": "Rb2 Li1 Nd1 Cl6\n1.0\n6.404997 0.000000 3.697927\n2.134999 6.038689 3.697927\n0.000000 -0.000000 7.395853\nRb Li Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.740868 0.259133 0.259133 Cl\n0.259133 0.259133 0.740867 Cl\n0.259133 0.740867 0.740867 Cl\n0.259133 0.740867 0.259133 Cl\n0.740868 0.259133 0.740867 Cl\n0.740868 0.740867 0.259133 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.104705078678717,
"density_atomic": 0.03495828634119538,
"volume": 286.0552117000039,
"volume_molar": 17.226647499890223,
"formula_full": "Rb2 Li1 Nd1 Cl6",
"formula_reduced": "Rb2LiNdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106925",
"created_at": "2022-09-04T14:36:57.014684Z",
"updated_at": "2022-09-04T14:36:57.014704Z",
"structure_string": "Rb2 Li1 Nd1 F6\n1.0\n5.331822 -0.000000 3.078329\n1.777274 5.026890 3.078329\n-0.000000 -0.000000 6.156658\nRb Li Nd F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Nd\n0.738944 0.261055 0.261056 F\n0.261055 0.261055 0.738945 F\n0.261055 0.738945 0.738946 F\n0.261055 0.738945 0.261056 F\n0.738944 0.261055 0.738945 F\n0.738944 0.738945 0.261056 F\n",
"nsites": 10,
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],
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"density": 4.388580936743723,
"density_atomic": 0.060601021724653495,
"volume": 165.01371949529087,
"volume_molar": 9.937358461317979,
"formula_full": "Rb2 Li1 Nd1 F6",
"formula_reduced": "Rb2LiNdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}