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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1517",
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"results": [
{
"id": "jvasp-105079",
"created_at": "2022-09-04T14:36:52.015916Z",
"updated_at": "2022-09-04T14:36:52.015935Z",
"structure_string": "Rb3 Sm1 Cl6\n1.0\n6.990326 -0.000000 4.035867\n2.330109 6.590542 4.035867\n-0.000000 -0.000000 8.071733\nRb Sm Cl\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sm\n0.765529 0.234472 0.234472 Cl\n0.234472 0.234472 0.765528 Cl\n0.234472 0.765528 0.765528 Cl\n0.234472 0.765528 0.234472 Cl\n0.765529 0.234472 0.765528 Cl\n0.765529 0.765528 0.234472 Cl\n",
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{
"id": "jvasp-10885",
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"structure_string": "Rb4 Si2 S6\n1.0\n6.269881 0.000000 2.733008\n2.753423 6.538569 2.241756\n-0.014946 0.007693 8.592761\nRb Si S\n4 2 6\ndirect\n0.803775 0.579265 0.813184 Rb\n0.196224 0.420734 0.186817 Rb\n0.580416 0.200891 0.638275 Rb\n0.419583 0.799109 0.361726 Rb\n0.116369 0.947720 0.819542 Si\n0.883630 0.052280 0.180460 Si\n0.238228 -0.000000 0.000000 S\n0.761772 -0.000000 0.000000 S\n0.888469 0.827342 0.395719 S\n0.111530 0.172658 0.604282 S\n0.709877 0.357509 0.222735 S\n0.290122 0.642490 0.777266 S\n",
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"spacegroup": 12
},
{
"id": "jvasp-109151",
"created_at": "2022-09-04T14:38:02.011501Z",
"updated_at": "2022-09-04T14:38:02.011527Z",
"structure_string": "Rb1 Si4 Pt4\n1.0\n6.429681 0.002320 -0.831535\n-4.967652 4.082062 -0.831535\n-0.000830 -0.002320 6.483228\nRb Si Pt\n1 4 4\ndirect\n0.477941 0.477941 -0.000001 Rb\n0.359205 0.865028 0.268719 Si\n0.596309 0.090486 0.731280 Si\n0.090486 0.359205 0.494176 Si\n0.865028 0.596309 0.505823 Si\n0.143065 0.658926 0.846476 Pt\n0.812450 0.296588 0.153523 Pt\n0.296589 0.143065 0.484139 Pt\n0.658926 0.812449 0.515860 Pt\n",
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"elements": [
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"density": 9.542562090015792,
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"volume": 170.21102911451132,
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"formula_full": "Rb1 Si4 Pt4",
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"formula_anonymous": "AB4C4",
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"spacegroup": 87
},
{
"id": "jvasp-95480",
"created_at": "2022-09-04T14:35:41.994647Z",
"updated_at": "2022-09-04T14:35:41.994679Z",
"structure_string": "Rb6 Si10 O23\n1.0\n9.611258 0.000000 -0.000000\n-4.805630 8.323594 -0.000000\n-0.000000 -0.000000 8.228410\nRb Si O\n6 10 23\ndirect\n0.253109 -0.000000 0.500000 Rb\n0.746891 0.746891 0.500000 Rb\n-0.000000 0.239748 0.000000 Rb\n0.239748 -0.000000 0.000000 Rb\n0.760251 0.760251 0.000000 Rb\n-0.000000 0.253109 0.500000 Rb\n0.333333 0.666667 0.802606 Si\n0.605240 -0.000000 0.698581 Si\n0.605240 -0.000000 0.301419 Si\n0.394760 0.394760 0.698581 Si\n-0.000000 0.605239 0.698581 Si\n0.394760 0.394760 0.301419 Si\n0.333333 0.666667 0.197394 Si\n0.666667 0.333333 0.197394 Si\n-0.000000 0.605239 0.301419 Si\n0.666667 0.333333 0.802606 Si\n0.569403 0.149814 0.263284 O\n0.247736 0.247736 0.784505 O\n0.569403 0.149814 0.736716 O\n0.430597 0.580411 0.736716 O\n-0.000000 0.625149 0.500000 O\n0.419589 0.850186 0.736716 O\n-0.000000 0.752263 0.215495 O\n0.625149 -0.000000 0.500000 O\n0.752264 -0.000000 0.215495 O\n0.419589 0.850186 0.263284 O\n0.374851 0.374851 0.500000 O\n0.850186 0.419589 0.736716 O\n0.850186 0.419589 0.263284 O\n0.580411 0.430597 0.263284 O\n0.580411 0.430597 0.736716 O\n0.752264 -0.000000 0.784505 O\n0.149814 0.569403 0.736716 O\n0.430597 0.580411 0.263284 O\n-0.000000 0.752263 0.784505 O\n0.247736 0.247736 0.215495 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.149814 0.569403 0.263284 O\n",
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"volume": 658.2745232039241,
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"formula_full": "Rb6 Si10 O23",
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{
"id": "jvasp-97453",
"created_at": "2022-09-04T14:35:42.164106Z",
"updated_at": "2022-09-04T14:35:42.164132Z",
"structure_string": "Rb6 Si10 O23\n1.0\n9.573685 0.000000 0.000000\n-4.786842 8.291054 -0.000000\n0.000000 -0.000000 8.188238\nRb Si O\n6 10 23\ndirect\n0.252911 -0.000000 0.500000 Rb\n0.747088 0.747088 0.500000 Rb\n-0.000000 0.241230 0.000000 Rb\n0.241230 -0.000000 0.000000 Rb\n0.758770 0.758770 0.000000 Rb\n-0.000000 0.252911 0.500000 Rb\n0.333333 0.666667 0.802091 Si\n0.604517 -0.000000 0.698867 Si\n0.604517 -0.000000 0.301133 Si\n0.395482 0.395482 0.698867 Si\n-0.000000 0.604517 0.698867 Si\n0.395482 0.395482 0.301133 Si\n0.333333 0.666667 0.197909 Si\n0.666667 0.333333 0.197909 Si\n-0.000000 0.604517 0.301133 Si\n0.666667 0.333333 0.802091 Si\n0.567332 0.149621 0.264210 O\n0.248848 0.248848 0.786462 O\n0.567332 0.149621 0.735790 O\n0.432668 0.582289 0.735790 O\n-0.000000 0.626608 0.500000 O\n0.417711 0.850379 0.735790 O\n-0.000000 0.751151 0.213538 O\n0.626608 -0.000000 0.500000 O\n0.751151 -0.000000 0.213538 O\n0.417711 0.850379 0.264210 O\n0.373392 0.373392 0.500000 O\n0.850379 0.417711 0.735790 O\n0.850379 0.417711 0.264210 O\n0.582289 0.432668 0.264210 O\n0.582289 0.432668 0.735790 O\n0.751151 -0.000000 0.786462 O\n0.149621 0.567332 0.735790 O\n0.432668 0.582289 0.264210 O\n-0.000000 0.751151 0.786462 O\n0.248848 0.248848 0.213538 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.149621 0.567332 0.264210 O\n",
"nsites": 39,
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"density_atomic": 0.06000470043806736,
"volume": 649.9490825765068,
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"formula_full": "Rb6 Si10 O23",
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"formula_anonymous": "A6B10C23",
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{
"id": "jvasp-87958",
"created_at": "2022-09-04T14:35:59.720984Z",
"updated_at": "2022-09-04T14:35:59.721022Z",
"structure_string": "Rb6 Si10 O23\n1.0\n8.075858 0.000000 0.000000\n0.000000 8.138226 -4.670113\n0.000000 0.009386 9.442325\nRb Si O\n6 10 23\ndirect\n0.000000 0.757603 0.000000 Rb\n0.500000 0.990233 0.763292 Rb\n0.500000 0.226941 0.236709 Rb\n0.500000 0.749260 0.000000 Rb\n0.000000 0.243281 0.243487 Rb\n0.000000 -0.000205 0.756513 Rb\n0.200982 0.401224 0.000000 Si\n0.799018 0.401224 0.000000 Si\n0.190926 0.588983 0.610467 Si\n0.809074 0.978517 0.389533 Si\n0.190926 0.978517 0.389533 Si\n0.311939 0.308281 0.652232 Si\n0.688061 0.656049 0.347768 Si\n0.688061 0.308281 0.652232 Si\n0.311939 0.656049 0.347768 Si\n0.809074 0.588983 0.610467 Si\n0.500000 0.606745 0.374301 O\n0.751442 0.237389 0.000000 O\n0.248558 0.237389 0.000000 O\n0.186666 0.152123 0.569789 O\n0.000000 0.534153 0.629195 O\n0.813334 0.582334 0.430211 O\n0.813334 0.152123 0.569789 O\n0.186666 0.582334 0.430211 O\n0.302518 0.855423 0.433382 O\n0.697482 0.422041 0.566618 O\n0.697482 0.855423 0.433382 O\n0.302518 0.422041 0.566618 O\n0.000000 0.904959 0.370806 O\n0.250181 0.997135 0.239629 O\n0.749819 0.997135 0.239629 O\n0.250181 0.757506 0.760372 O\n0.272965 0.576766 0.154209 O\n0.727035 0.422557 0.845791 O\n0.727035 0.576766 0.154209 O\n0.272965 0.422557 0.845791 O\n0.000000 0.433146 0.000000 O\n0.749819 0.757506 0.760372 O\n0.500000 0.232443 0.625699 O\n",
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"density": 3.1065519430027466,
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"formula_full": "Rb6 Si10 O23",
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},
{
"id": "jvasp-98390",
"created_at": "2022-09-04T14:36:21.006200Z",
"updated_at": "2022-09-04T14:36:21.006224Z",
"structure_string": "Rb6 Si10 O23\n1.0\n8.104686 0.000000 0.000000\n0.000000 8.085766 -4.658753\n0.000000 0.078873 9.483127\nRb Si O\n6 10 23\ndirect\n0.500000 0.260094 0.243420 Rb\n0.500000 0.772073 0.000000 Rb\n0.500000 0.016674 0.756581 Rb\n0.000000 0.769594 0.000000 Rb\n0.000000 0.253913 0.238708 Rb\n0.000000 0.015205 0.761292 Rb\n0.812321 0.702547 0.341066 Si\n0.690156 0.030883 0.406296 Si\n0.690156 0.624587 0.593704 Si\n0.701087 0.414490 0.000000 Si\n0.187680 0.361481 0.658935 Si\n0.309844 0.624587 0.593704 Si\n0.309844 0.030883 0.406296 Si\n0.812321 0.361481 0.658935 Si\n0.298914 0.414490 0.000000 Si\n0.187680 0.702547 0.341066 Si\n0.771471 0.439113 0.849128 O\n0.500000 0.640610 0.539878 O\n0.746370 0.009357 0.237194 O\n0.307188 0.436714 0.574023 O\n0.000000 0.774011 0.358872 O\n0.746370 0.772163 0.762806 O\n0.253631 0.772163 0.762806 O\n0.751480 0.250894 0.000000 O\n0.692813 0.436714 0.574023 O\n0.500000 0.443521 0.000000 O\n0.800057 0.161849 0.567636 O\n0.199943 0.594213 0.432364 O\n0.228529 0.439113 0.849128 O\n0.307188 0.862692 0.425978 O\n0.253631 0.009357 0.237194 O\n0.248521 0.250894 0.000000 O\n0.199943 0.161849 0.567636 O\n0.000000 0.415139 0.641129 O\n0.228529 0.589986 0.150873 O\n0.771471 0.589986 0.150873 O\n0.692813 0.862692 0.425978 O\n0.500000 0.100732 0.460123 O\n0.800057 0.594213 0.432364 O\n",
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"elements": [
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"volume": 624.4319817334028,
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"formula_full": "Rb6 Si10 O23",
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},
{
"id": "jvasp-98363",
"created_at": "2022-09-04T14:35:56.427443Z",
"updated_at": "2022-09-04T14:35:56.427474Z",
"structure_string": "Rb12 Si4 O14\n1.0\n6.732922 0.000000 -0.127831\n0.000000 9.238938 0.000000\n-0.000197 0.000000 9.218361\nRb Si O\n12 4 14\ndirect\n0.607009 0.852700 0.091097 Rb\n0.612826 0.723005 0.723514 Rb\n0.112826 0.776995 0.223514 Rb\n0.387173 0.276995 0.276486 Rb\n0.246442 0.524689 0.952764 Rb\n0.253557 0.024689 0.547236 Rb\n0.753557 0.475311 0.047236 Rb\n0.746442 0.975311 0.452764 Rb\n0.107009 0.647300 0.591097 Rb\n0.392990 0.147300 0.908903 Rb\n0.892990 0.352700 0.408903 Rb\n0.887173 0.223005 0.776486 Rb\n0.957689 0.131738 0.124764 Si\n0.457689 0.368262 0.624764 Si\n0.042310 0.868262 0.875236 Si\n0.542310 0.631738 0.375236 Si\n0.053102 0.077634 0.280918 O\n0.446897 0.577634 0.219082 O\n0.284884 0.844706 0.868588 O\n0.215115 0.344706 0.631412 O\n0.715115 0.155295 0.131412 O\n0.784884 0.655295 0.368588 O\n0.570955 0.222341 0.565807 O\n0.929044 0.722341 0.934193 O\n0.429045 0.777659 0.434193 O\n0.946897 0.922366 0.719082 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.553102 0.422366 0.780918 O\n0.070955 0.277659 0.065807 O\n",
"nsites": 30,
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],
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"density_atomic": 0.052316909781480486,
"volume": 573.4283642765845,
"volume_molar": 11.510887751500489,
"formula_full": "Rb12 Si4 O14",
"formula_reduced": "Rb6Si2O7",
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"spacegroup": 14
},
{
"id": "jvasp-21606",
"created_at": "2022-09-04T14:38:04.398265Z",
"updated_at": "2022-09-04T14:38:04.398293Z",
"structure_string": "Rb2 Si1 F6\n1.0\n5.136043 0.000000 2.965297\n1.712014 4.842308 2.965297\n-0.000000 -0.000000 5.930592\nRb Si F\n2 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Si\n0.205310 0.794689 0.794690 F\n0.205310 0.794689 0.205312 F\n0.794688 0.205311 0.794690 F\n0.794688 0.205311 0.205312 F\n0.794688 0.794689 0.205312 F\n0.205311 0.205311 0.794689 F\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "F-Rb-Si",
"density": 3.5239546404985136,
"density_atomic": 0.06101876328596129,
"volume": 147.49561471480442,
"volume_molar": 9.869326147725328,
"formula_full": "Rb2 Si1 F6",
"formula_reduced": "Rb2SiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115442",
"created_at": "2022-09-04T14:38:47.015044Z",
"updated_at": "2022-09-04T14:38:47.015074Z",
"structure_string": "Rb1 Si1 As1\n1.0\n7.561930 0.000000 0.000000\n-0.000000 7.561930 -0.000000\n-0.000000 -0.000000 8.827329\nRb Si As\n1 1 1\ndirect\n0.000000 0.000000 -0.042763 Rb\n0.000000 0.000000 0.566882 Si\n0.000000 0.000000 0.328716 As\n",
"nsites": 3,
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"volume": 504.77125919926425,
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"formula_full": "Rb1 Si1 As1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-22921",
"created_at": "2022-09-04T14:37:32.631052Z",
"updated_at": "2022-09-04T14:37:32.631083Z",
"structure_string": "Rb20 Si4 As12\n1.0\n5.652485 -0.000000 0.000000\n-0.000000 14.177842 0.000000\n0.000000 0.000000 15.477025\nRb Si As\n20 4 12\ndirect\n0.750001 0.943742 0.348229 Rb\n0.750001 0.431175 0.441611 Rb\n0.250000 0.568825 0.558389 Rb\n0.250000 0.068825 0.941611 Rb\n0.750001 0.386211 0.680956 Rb\n0.250000 0.613789 0.319044 Rb\n0.750001 0.886211 0.819044 Rb\n0.250000 0.113789 0.180956 Rb\n0.750001 0.147884 0.543719 Rb\n0.250000 0.852116 0.456281 Rb\n0.750001 0.931175 0.058389 Rb\n0.250000 0.352116 0.043719 Rb\n0.750001 0.716275 0.213636 Rb\n0.250000 0.283724 0.786364 Rb\n0.750001 0.216275 0.286364 Rb\n0.250000 0.783724 0.713636 Rb\n0.250000 0.556258 0.848229 Rb\n0.750001 0.647884 0.956280 Rb\n0.750001 0.443742 0.151771 Rb\n0.250000 0.056258 0.651770 Rb\n0.750001 0.239368 0.922957 Si\n0.250000 0.760632 0.077042 Si\n0.750001 0.739368 0.577042 Si\n0.250000 0.260632 0.422958 Si\n0.750001 0.135923 0.804941 As\n0.250000 0.815614 0.935813 As\n0.750001 0.184386 0.064186 As\n0.250000 0.315614 0.564186 As\n0.750001 0.684386 0.435814 As\n0.250000 0.598141 0.094768 As\n0.750001 0.401859 0.905232 As\n0.250000 0.098141 0.405232 As\n0.750001 0.901859 0.594768 As\n0.750001 0.635923 0.695059 As\n0.250000 0.364077 0.304941 As\n0.250000 0.864076 0.195059 As\n",
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"elements": [
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],
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"formula_full": "Rb20 Si4 As12",
"formula_reduced": "Rb5SiAs3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.6564359833333331,
"spacegroup": 62
},
{
"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,
"nelements": 3,
"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
}
]
}