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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4610",
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"results": [
{
"id": "jvasp-104585",
"created_at": "2022-09-04T14:36:46.070750Z",
"updated_at": "2022-09-04T14:36:46.070777Z",
"structure_string": "K3 Rb1\n1.0\n5.916436 -0.260388 -5.491160\n-1.301173 5.777454 -5.491160\n0.217826 0.260388 8.069052\nK Rb\n3 1\ndirect\n0.750001 0.250000 0.500000 K\n0.250001 0.750000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Rb\n",
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"volume": 290.62388911963944,
"volume_molar": 43.75444921242753,
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{
"id": "jvasp-8770",
"created_at": "2022-09-04T14:37:00.901433Z",
"updated_at": "2022-09-04T14:37:00.901449Z",
"structure_string": "Cu1 I4\n1.0\n6.229173 -0.000000 0.000000\n6.229173 8.122688 0.566268\n3.114586 5.698527 4.010566\nCu I\n1 4\ndirect\n0.359180 0.499986 0.281668 Cu\n0.001451 -0.001227 -0.000448 I\n0.500372 0.001067 -0.002878 I\n0.251603 0.500087 -0.014170 I\n0.762392 0.500087 -0.014170 I\n",
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"volume": 182.82425186918772,
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"formula_full": "Cu1 I4",
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"spacegroup": 42
},
{
"id": "jvasp-22532",
"created_at": "2022-09-04T14:37:00.896421Z",
"updated_at": "2022-09-04T14:37:00.896447Z",
"structure_string": "Br2 F10\n1.0\n4.874894 -0.020302 -0.000000\n-0.605147 4.837231 -0.000000\n-0.000000 0.000000 7.610269\nBr F\n2 10\ndirect\n0.829949 0.170051 0.254737 Br\n0.170049 0.829950 0.754737 Br\n0.098023 0.467556 0.244631 F\n0.901975 0.532444 0.744631 F\n0.338668 0.661332 0.590925 F\n0.661331 0.338669 0.090925 F\n0.355562 0.644437 0.910840 F\n0.644436 0.355563 0.410840 F\n0.006377 0.993623 0.564238 F\n0.993622 0.006378 0.064238 F\n0.467556 0.098024 0.744631 F\n0.532443 0.901976 0.244631 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "Br-F",
"density": 3.238346558946875,
"density_atomic": 0.06690299502664183,
"volume": 179.36416740717524,
"volume_molar": 9.001302195218447,
"formula_full": "Br2 F10",
"formula_reduced": "BrF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-106417",
"created_at": "2022-09-04T14:36:57.911297Z",
"updated_at": "2022-09-04T14:36:57.911306Z",
"structure_string": "K2 Rb1 Ti1 F6\n1.0\n5.579405 -0.000000 3.221271\n1.859802 5.260313 3.221271\n-0.000000 -0.000000 6.442542\nK Rb Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ti\n0.216838 0.216838 0.783162 F\n0.216838 0.783162 0.783162 F\n0.783163 0.783162 0.216837 F\n0.216838 0.783162 0.216838 F\n0.783163 0.216838 0.783162 F\n0.783163 0.216838 0.216837 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Rb",
"Ti",
"F"
],
"chemical_system": "F-K-Rb-Ti",
"density": 2.858725589781069,
"density_atomic": 0.0528863101838581,
"volume": 189.08484946738048,
"volume_molar": 11.386955790759762,
"formula_full": "K2 Rb1 Ti1 F6",
"formula_reduced": "K2RbTiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106580",
"created_at": "2022-09-04T14:37:00.850033Z",
"updated_at": "2022-09-04T14:37:00.850055Z",
"structure_string": "Pm1 Mg3\n1.0\n4.492121 -0.000000 2.593527\n1.497374 4.235212 2.593527\n-0.000000 -0.000000 5.187054\nPm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Pm",
"density": 3.6668137682388218,
"density_atomic": 0.0405333614678591,
"volume": 98.68414202882721,
"volume_molar": 14.857244851935738,
"formula_full": "Pm1 Mg3",
"formula_reduced": "PmMg3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-107308",
"created_at": "2022-09-04T14:37:00.814445Z",
"updated_at": "2022-09-04T14:37:00.814471Z",
"structure_string": "Na5 Br4 Cl1\n1.0\n4.120071 -0.002870 -14.407379\n-0.083715 4.119222 -14.407379\n0.002815 0.002870 14.984911\nNa Br Cl\n5 4 1\ndirect\n0.800144 0.800143 0.000000 Na\n0.199856 0.199856 0.000000 Na\n0.596188 0.596187 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.403813 0.403812 0.000000 Na\n0.901450 0.901449 0.000000 Br\n0.301165 0.301165 0.000000 Br\n0.698836 0.698835 0.000000 Br\n0.098551 0.098551 0.000000 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 3.0648807568131016,
"density_atomic": 0.039269026650563844,
"volume": 254.65362533645623,
"volume_molar": 15.33559976820442,
"formula_full": "Na5 Br4 Cl1",
"formula_reduced": "Na5Br4Cl",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-100885",
"created_at": "2022-09-04T14:36:58.056508Z",
"updated_at": "2022-09-04T14:36:58.056530Z",
"structure_string": "K3 Tb1 Cl6\n1.0\n6.761299 -0.000000 3.903638\n2.253766 6.374614 3.903638\n-0.000000 -0.000000 7.807276\nTb K Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.762256 0.237744 0.237745 Cl\n0.237745 0.237744 0.762256 Cl\n0.237745 0.762255 0.762256 Cl\n0.237745 0.762255 0.237745 Cl\n0.762256 0.237744 0.762256 Cl\n0.762256 0.762255 0.237745 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"K",
"Cl"
],
"chemical_system": "Cl-K-Tb",
"density": 2.4127901127702103,
"density_atomic": 0.029717784788692216,
"volume": 336.49883634008467,
"volume_molar": 20.26443358016193,
"formula_full": "K3 Tb1 Cl6",
"formula_reduced": "K3TbCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9106",
"created_at": "2022-09-04T14:37:05.301923Z",
"updated_at": "2022-09-04T14:37:05.301945Z",
"structure_string": "K3 Ga9\n1.0\n5.879101 -0.000000 -2.295969\n-0.896646 5.810324 -2.295969\n-0.007470 -0.008711 8.655924\nK Ga\n3 9\ndirect\n0.127237 0.627237 0.254473 K\n0.372762 0.872763 0.745526 K\n0.000000 0.000000 0.000000 K\n0.778105 0.983599 0.556209 Ga\n0.016400 0.221895 0.443790 Ga\n0.700074 0.393828 0.787655 Ga\n0.606172 0.299925 0.212344 Ga\n0.606171 0.912419 0.212344 Ga\n0.087580 0.393828 0.787655 Ga\n0.778105 0.572610 0.556209 Ga\n0.427390 0.221895 0.443790 Ga\n0.500000 0.500000 -0.000000 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 4.186110781197298,
"density_atomic": 0.040616461966655304,
"volume": 295.44670852551315,
"volume_molar": 14.826847215161104,
"formula_full": "K3 Ga9",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-106628",
"created_at": "2022-09-04T14:36:58.060059Z",
"updated_at": "2022-09-04T14:36:58.060076Z",
"structure_string": "Zn6 Au2\n1.0\n5.664818 -0.000000 0.000000\n-2.832409 4.905877 0.000000\n-0.000000 -0.000000 4.464377\nZn Au\n6 2\ndirect\n0.165086 0.330173 0.250000 Zn\n0.669827 0.834914 0.250000 Zn\n0.165086 0.834914 0.250000 Zn\n0.834914 0.669827 0.750000 Zn\n0.330173 0.165086 0.750000 Zn\n0.834914 0.165086 0.750000 Zn\n0.333333 0.666667 0.750000 Au\n0.666667 0.333334 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Au"
],
"chemical_system": "Au-Zn",
"density": 10.524997960127228,
"density_atomic": 0.0644802196513065,
"volume": 124.06905626658956,
"volume_molar": 9.33951650997203,
"formula_full": "Zn6 Au2",
"formula_reduced": "Zn3Au",
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"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-105416",
"created_at": "2022-09-04T14:36:45.641875Z",
"updated_at": "2022-09-04T14:36:45.641904Z",
"structure_string": "Rb3 Br2 Cl1\n1.0\n4.664658 -0.003701 -9.619728\n-0.249366 4.657990 -9.619728\n0.003511 0.003701 10.691033\nRb Br Cl\n3 2 1\ndirect\n0.662965 0.662965 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.337035 0.337035 -0.000000 Rb\n0.832677 0.832677 -0.000001 Br\n0.167323 0.167323 -0.000000 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-Rb",
"density": 3.2242175823044783,
"density_atomic": 0.02579352120053887,
"volume": 232.6165533333483,
"volume_molar": 23.34749378799118,
"formula_full": "Rb3 Br2 Cl1",
"formula_reduced": "Rb3Br2Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-102269",
"created_at": "2022-09-04T14:36:45.620874Z",
"updated_at": "2022-09-04T14:36:45.620893Z",
"structure_string": "Rb2 Li1 Sm1 Cl6\n1.0\n6.362709 -0.000000 3.673512\n2.120903 5.998819 3.673512\n-0.000000 -0.000000 7.347023\nRb Li Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.742653 0.257347 0.257347 Cl\n0.257347 0.257347 0.742652 Cl\n0.257347 0.742653 0.742652 Cl\n0.257347 0.742653 0.257347 Cl\n0.742653 0.257347 0.742652 Cl\n0.742653 0.742653 0.257347 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Li-Rb-Sm",
"density": 3.203248981600344,
"density_atomic": 0.03565995420538115,
"volume": 280.4266080210216,
"volume_molar": 16.88768506351937,
"formula_full": "Rb2 Li1 Sm1 Cl6",
"formula_reduced": "Rb2LiSmCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102411",
"created_at": "2022-09-04T14:36:45.378037Z",
"updated_at": "2022-09-04T14:36:45.378055Z",
"structure_string": "Na2 In1 Hg1 Br6\n1.0\n6.843647 -0.000000 3.951181\n2.281216 6.452252 3.951181\n-0.000000 -0.000000 7.902363\nNa In Hg Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.499999 Hg\n0.755818 0.244183 0.244182 Br\n0.244183 0.244183 0.755817 Br\n0.244184 0.755817 0.755816 Br\n0.244184 0.755817 0.244182 Br\n0.755818 0.244183 0.755816 Br\n0.755818 0.755817 0.244182 Br\n",
"nsites": 10,
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],
"chemical_system": "Br-Hg-In-Na",
"density": 4.001214775319782,
"density_atomic": 0.028657882880106372,
"volume": 348.94412967755426,
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"formula_full": "Na2 In1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}