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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4512",
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"results": [
{
"id": "jvasp-109252",
"created_at": "2022-09-04T14:38:20.593368Z",
"updated_at": "2022-09-04T14:38:20.593391Z",
"structure_string": "Rb2 Tl1 Bi1 Br6\n1.0\n7.257844 -0.000000 4.190318\n2.419281 6.842761 4.190318\n-0.000000 -0.000000 8.380636\nRb Tl Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Bi\n0.759153 0.240846 0.240847 Br\n0.240846 0.240846 0.759154 Br\n0.240846 0.759154 0.759155 Br\n0.240846 0.759154 0.240847 Br\n0.759153 0.240846 0.759155 Br\n0.759153 0.759154 0.240847 Br\n",
"nsites": 10,
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],
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"formula_full": "Rb2 Tl1 Bi1 Br6",
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{
"id": "jvasp-64238",
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"structure_string": "Ba4 Ca1 Ru1\n1.0\n-0.000000 4.998304 4.998304\n4.998304 0.000000 4.998304\n4.998304 4.998304 -0.000000\nBa Ca Ru\n4 1 1\ndirect\n0.119089 0.626970 0.626970 Ba\n0.626970 0.626970 0.626970 Ba\n0.626970 0.119089 0.626970 Ba\n0.626970 0.626970 0.119089 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ru\n",
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"elements": [
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},
{
"id": "jvasp-64512",
"created_at": "2022-09-04T14:35:42.256788Z",
"updated_at": "2022-09-04T14:35:42.256815Z",
"structure_string": "Ba4 Hg1 Sb1\n1.0\n-0.000000 4.998321 4.998321\n4.998321 0.000000 4.998321\n4.998321 4.998321 -0.000000\nBa Hg Sb\n4 1 1\ndirect\n0.120928 0.626357 0.626357 Ba\n0.626357 0.626357 0.626357 Ba\n0.626357 0.120928 0.626357 Ba\n0.626357 0.626357 0.120928 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Hg",
"Sb"
],
"chemical_system": "Ba-Hg-Sb",
"density": 5.795525098522649,
"density_atomic": 0.02402419384676843,
"volume": 249.7482345617636,
"volume_molar": 25.06698371820729,
"formula_full": "Ba4 Hg1 Sb1",
"formula_reduced": "Ba4HgSb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64806",
"created_at": "2022-09-04T14:35:58.292773Z",
"updated_at": "2022-09-04T14:35:58.292799Z",
"structure_string": "Ba4 In1 Sb1\n1.0\n0.000000 4.998480 4.998480\n4.998480 -0.000000 4.998480\n4.998480 4.998480 0.000000\nBa In Sb\n4 1 1\ndirect\n0.121825 0.626058 0.626058 Ba\n0.626058 0.626058 0.626058 Ba\n0.626058 0.121825 0.626058 Ba\n0.626058 0.626058 0.121825 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"In",
"Sb"
],
"chemical_system": "Ba-In-Sb",
"density": 5.224741135088988,
"density_atomic": 0.02402190131464975,
"volume": 249.77206930497636,
"volume_molar": 25.069375987850716,
"formula_full": "Ba4 In1 Sb1",
"formula_reduced": "Ba4InSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0477069899999999,
"spacegroup": 216
},
{
"id": "jvasp-117853",
"created_at": "2022-09-04T14:38:54.060393Z",
"updated_at": "2022-09-04T14:38:54.060429Z",
"structure_string": "Rb1 Pb1 Br3\n1.0\n5.898627 0.000505 0.002349\n0.000693 5.949437 -0.085166\n-0.003347 -0.093977 5.932829\nRb Pb Br\n1 1 3\ndirect\n0.006022 -0.035651 0.070863 Rb\n0.505989 0.512563 0.483209 Pb\n0.506024 0.567217 0.977000 Br\n0.505970 0.015326 0.465408 Br\n0.005998 0.490542 0.433519 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.246982051886633,
"density_atomic": 0.024020373923365822,
"volume": 208.1566263685949,
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"formula_full": "Rb1 Pb1 Br3",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 6
},
{
"id": "jvasp-78455",
"created_at": "2022-09-04T14:37:15.742366Z",
"updated_at": "2022-09-04T14:37:15.742389Z",
"structure_string": "Rb1 P1\n1.0\n2.723305 2.449687 3.242274\n2.723305 -2.449687 3.242274\n4.885963 0.000000 -0.425251\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.499999 0.500001 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "P-Rb",
"density": 2.3215325909675215,
"density_atomic": 0.02401306854087944,
"volume": 83.28798115056533,
"volume_molar": 25.078597305246557,
"formula_full": "Rb1 P1",
"formula_reduced": "RbP",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-64345",
"created_at": "2022-09-04T14:36:06.799278Z",
"updated_at": "2022-09-04T14:36:06.799297Z",
"structure_string": "Ba4 Li1 P1\n1.0\n-0.000000 4.999241 4.999241\n4.999241 0.000000 4.999241\n4.999241 4.999241 -0.000000\nBa Li P\n4 1 1\ndirect\n0.118923 0.627026 0.627026 Ba\n0.627026 0.627026 0.627026 Ba\n0.627026 0.118923 0.627026 Ba\n0.627026 0.627026 0.118923 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
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"elements": [
"Ba",
"Li",
"P"
],
"chemical_system": "Ba-Li-P",
"density": 3.9022021415017645,
"density_atomic": 0.024010932919066266,
"volume": 249.88616728155546,
"volume_molar": 25.08082788910723,
"formula_full": "Ba4 Li1 P1",
"formula_reduced": "Ba4LiP",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-78402",
"created_at": "2022-09-04T14:37:08.811953Z",
"updated_at": "2022-09-04T14:37:08.811973Z",
"structure_string": "Rb1 P1\n1.0\n0.000000 -4.898355 0.000000\n3.629643 -2.449177 -2.200911\n3.285800 -2.449177 2.692831\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500000 0.500000 P\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "P-Rb",
"density": 2.3211895106046554,
"density_atomic": 0.02400951984537519,
"volume": 83.3002914210818,
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"formula_full": "Rb1 P1",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-176",
"created_at": "2022-09-04T14:37:28.293070Z",
"updated_at": "2022-09-04T14:37:28.293091Z",
"structure_string": "Sb2 I6\n1.0\n6.654466 0.023797 4.682924\n2.443504 6.189649 4.682926\n0.034843 0.023793 8.136982\nSb I\n2 6\ndirect\n0.167477 0.167477 0.167477 Sb\n0.832522 0.832523 0.832523 Sb\n0.416229 0.077210 0.747444 I\n0.747444 0.416229 0.077209 I\n0.077209 0.747444 0.416229 I\n0.583771 0.922791 0.252556 I\n0.252555 0.583771 0.922791 I\n0.922790 0.252556 0.583771 I\n",
"nsites": 8,
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"elements": [
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"density": 5.00820064850543,
"density_atomic": 0.024009301722091654,
"volume": 333.20419279995,
"volume_molar": 25.082531885793472,
"formula_full": "Sb2 I6",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
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"spacegroup": 148
},
{
"id": "jvasp-110659",
"created_at": "2022-09-04T14:38:37.411558Z",
"updated_at": "2022-09-04T14:38:37.411578Z",
"structure_string": "K2 Rb1 Y1 Br6\n1.0\n7.259742 0.000000 4.191414\n2.419914 6.844550 4.191414\n-0.000000 -0.000000 8.382828\nK Rb Y Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.766431 0.233568 0.233568 Br\n0.233568 0.233568 0.766432 Br\n0.233568 0.766432 0.766432 Br\n0.233568 0.766432 0.233568 Br\n0.766431 0.233568 0.766431 Br\n0.766431 0.766432 0.233568 Br\n",
"nsites": 10,
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"elements": [
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"Rb",
"Y",
"Br"
],
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"density": 2.9180996902070917,
"density_atomic": 0.024007302095900924,
"volume": 416.53993272769407,
"volume_molar": 25.084621070471044,
"formula_full": "K2 Rb1 Y1 Br6",
"formula_reduced": "K2RbYBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65710",
"created_at": "2022-09-04T14:35:42.360872Z",
"updated_at": "2022-09-04T14:35:42.360901Z",
"structure_string": "Ba1 Ca2 Y1\n1.0\n4.122290 0.000000 0.000000\n0.000000 4.122290 -0.000000\n0.000000 0.000000 9.804913\nBa Ca Y\n1 2 1\ndirect\n0.500000 0.500000 0.734133 Ba\n0.000000 0.000000 0.032123 Ca\n0.500000 0.500000 0.264761 Ca\n0.000000 0.000000 0.468983 Y\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.0535232274083097,
"density_atomic": 0.02400707035616615,
"volume": 166.61758143148904,
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"formula_full": "Ba1 Ca2 Y1",
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"spacegroup": 99
},
{
"id": "jvasp-99750",
"created_at": "2022-09-04T14:36:36.386803Z",
"updated_at": "2022-09-04T14:36:36.386828Z",
"structure_string": "Ac6 Eu2\n1.0\n7.824606 0.000000 -0.000000\n-3.912303 6.776307 0.000000\n-0.000000 -0.000000 6.285896\nAc Eu\n6 2\ndirect\n0.169327 0.338655 0.250000 Ac\n0.661346 0.830673 0.250000 Ac\n0.169328 0.830673 0.250000 Ac\n0.830674 0.661346 0.750001 Ac\n0.338655 0.169327 0.750001 Ac\n0.830673 0.169327 0.750001 Ac\n0.333334 0.666667 0.750001 Eu\n0.666668 0.333333 0.250000 Eu\n",
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