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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1540",
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"results": [
{
"id": "jvasp-92204",
"created_at": "2022-09-04T14:36:03.484053Z",
"updated_at": "2022-09-04T14:36:03.484085Z",
"structure_string": "Rb1 Mg6 Mo1\n1.0\n6.460775 0.002567 0.000000\n-3.228165 5.596478 0.000000\n0.000000 0.000000 5.127797\nRb Mg Mo\n1 6 1\ndirect\n0.083330 0.416671 0.250000 Rb\n0.117806 0.933871 0.250000 Mg\n0.566129 0.382195 0.250000 Mg\n0.566325 0.933676 0.250000 Mg\n0.435440 0.592926 0.750000 Mg\n0.907074 0.064561 0.750000 Mg\n0.907157 0.592844 0.750000 Mg\n0.416740 0.083260 0.750000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Mo-Rb",
"density": 2.930102403656165,
"density_atomic": 0.0431380216396264,
"volume": 185.45124917484011,
"volume_molar": 13.960169083109013,
"formula_full": "Rb1 Mg6 Mo1",
"formula_reduced": "RbMg6Mo",
"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-91834",
"created_at": "2022-09-04T14:35:45.846977Z",
"updated_at": "2022-09-04T14:35:45.847001Z",
"structure_string": "Rb1 Mg6 Mo1\n1.0\n6.461058 -0.000126 0.000000\n-3.230638 5.595376 0.000000\n0.000000 0.000000 5.127954\nRb Mg Mo\n1 6 1\ndirect\n0.083343 0.416657 0.250000 Rb\n0.117630 0.933795 0.250000 Mg\n0.566206 0.382370 0.250000 Mg\n0.566204 0.933797 0.250000 Mg\n0.435484 0.592776 0.749999 Mg\n0.907224 0.064515 0.749999 Mg\n0.907246 0.592754 0.749999 Mg\n0.416662 0.083337 0.749999 Mo\n",
"nsites": 8,
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"elements": [
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"density": 2.9311660084765596,
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"volume": 185.38395621292662,
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"formula_full": "Rb1 Mg6 Mo1",
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"spacegroup": 187
},
{
"id": "jvasp-91911",
"created_at": "2022-09-04T14:36:11.066769Z",
"updated_at": "2022-09-04T14:36:11.066796Z",
"structure_string": "Rb1 Mg6 Mo1\n1.0\n6.704745 -1.796482 0.000000\n-4.908172 8.501202 0.000000\n0.000000 0.000000 4.137920\nRb Mg Mo\n1 6 1\ndirect\n0.250091 0.375045 0.250000 Rb\n0.749924 0.374893 0.250000 Mg\n0.749924 0.875032 0.250000 Mg\n0.249955 0.079805 0.750000 Mg\n0.249955 0.670150 0.750000 Mg\n0.659640 0.079821 0.750000 Mg\n0.840426 0.670214 0.750000 Mg\n0.250083 0.875040 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Mo-Rb",
"density": 2.72555607956641,
"density_atomic": 0.04012661707442086,
"volume": 199.36891228988463,
"volume_molar": 15.007845662222241,
"formula_full": "Rb1 Mg6 Mo1",
"formula_reduced": "RbMg6Mo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0375000249999999,
"spacegroup": 123
},
{
"id": "jvasp-23961",
"created_at": "2022-09-04T14:37:41.485986Z",
"updated_at": "2022-09-04T14:37:41.486008Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.945506 -5.101767 -0.000000\n2.945506 5.101767 0.000000\n0.000000 -0.000000 14.293744\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666668 0.333333 0.596035 Rb\n0.333333 0.666668 0.096036 Rb\n0.333333 0.666668 0.403964 Rb\n0.666668 0.333333 0.903964 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.346166 Mg\n0.333333 0.666668 0.653834 Mg\n0.666668 0.333333 0.153834 Mg\n0.333333 0.666668 0.846166 Mg\n0.166069 0.833932 0.579846 H\n0.833932 0.166069 0.420154 H\n0.166069 0.833932 0.920154 H\n0.667862 0.833932 0.920154 H\n0.833932 0.667862 0.420154 H\n0.667862 0.833932 0.579846 H\n0.166069 0.332139 0.920154 H\n0.833932 0.166069 0.079846 H\n0.477255 0.522746 0.750000 H\n0.332139 0.166069 0.079846 H\n0.477255 0.954511 0.750000 H\n0.954511 0.477255 0.250000 H\n0.522746 0.477255 0.250000 H\n0.332139 0.166069 0.420154 H\n0.045490 0.522746 0.750000 H\n0.522746 0.045490 0.250000 H\n0.833932 0.667862 0.079846 H\n0.166069 0.332139 0.579846 H\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 2.616013052296296,
"density_atomic": 0.06983364765881184,
"volume": 429.59233844652965,
"volume_molar": 8.623551771808538,
"formula_full": "Rb6 Mg6 H18",
"formula_reduced": "RbMgH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1897498099999997,
"spacegroup": 194
},
{
"id": "jvasp-38155",
"created_at": "2022-09-04T14:38:31.057035Z",
"updated_at": "2022-09-04T14:38:31.057055Z",
"structure_string": "Rb4 Mg2 H8\n1.0\n0.000000 5.186242 4.051227\n0.000000 -5.186242 4.051227\n8.768813 0.000000 0.000000\nRb Mg H\n4 2 8\ndirect\n0.500000 0.999999 0.500001 Rb\n0.499999 0.000000 0.999999 Rb\n0.090358 0.409642 0.250000 Rb\n0.909642 0.590358 0.750000 Rb\n0.743738 0.756261 0.250000 Mg\n0.256261 0.243737 0.750000 Mg\n0.786000 0.047895 0.249999 H\n0.547894 0.286000 0.749999 H\n0.162631 0.337369 0.927730 H\n0.162631 0.337369 0.572269 H\n0.837368 0.662632 0.072269 H\n0.837369 0.662631 0.427731 H\n0.452107 0.714001 0.249999 H\n0.214000 0.952107 0.749999 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 1.7960399670517304,
"density_atomic": 0.037994249915725115,
"volume": 368.476809808151,
"volume_molar": 15.850137253288814,
"formula_full": "Rb4 Mg2 H8",
"formula_reduced": "Rb2MgH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2010555785714283,
"spacegroup": 63
},
{
"id": "jvasp-95568",
"created_at": "2022-09-04T14:36:04.734646Z",
"updated_at": "2022-09-04T14:36:04.734668Z",
"structure_string": "Rb8 Mg4 H16\n1.0\n14.010305 0.000000 0.000000\n0.000000 5.895147 0.000000\n0.000000 -0.000000 5.857441\nRb Mg H\n8 4 16\ndirect\n0.104492 0.000526 0.250000 Rb\n0.604492 0.499474 0.250000 Rb\n0.895507 -0.000526 0.750000 Rb\n0.395507 0.500526 0.750000 Rb\n0.395530 0.000588 0.250000 Rb\n0.895530 0.499412 0.250000 Rb\n0.604470 -0.000588 0.750000 Rb\n0.104470 0.500589 0.750000 Rb\n0.750006 0.499362 0.750000 Mg\n0.250006 0.000638 0.750000 Mg\n0.249994 0.500639 0.250000 Mg\n0.749993 -0.000638 0.250000 Mg\n0.749964 0.749321 0.499972 H\n0.249964 0.750680 0.000028 H\n0.749964 0.749321 0.000028 H\n0.249964 0.750680 0.499972 H\n0.250036 0.250679 0.500028 H\n0.750035 0.249321 -0.000028 H\n0.607712 0.499304 0.750000 H\n0.107702 0.500548 0.250000 H\n0.392288 0.500697 0.250000 H\n0.892288 0.999304 0.250000 H\n0.892298 0.499453 0.750000 H\n0.392298 0.000547 0.750000 H\n0.750035 0.249321 0.500028 H\n0.607702 -0.000547 0.250000 H\n0.107712 0.000696 0.750000 H\n0.250036 0.250679 -0.000028 H\n",
"nsites": 28,
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"elements": [
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"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 2.7359364242949695,
"density_atomic": 0.057877248928283116,
"volume": 483.78249689606656,
"volume_molar": 10.40502247690134,
"formula_full": "Rb8 Mg4 H16",
"formula_reduced": "Rb2MgH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1831812928571428,
"spacegroup": 139
},
{
"id": "jvasp-85680",
"created_at": "2022-09-04T14:36:02.366698Z",
"updated_at": "2022-09-04T14:36:02.366730Z",
"structure_string": "Rb6 Mg2 H10\n1.0\n-3.921288 3.921288 6.136156\n3.921288 -3.921288 6.136156\n3.921288 3.921288 -6.136156\nRb Mg H\n6 2 10\ndirect\n0.179158 0.679158 0.858316 Rb\n0.820843 0.320843 0.141685 Rb\n0.679158 0.820843 0.500000 Rb\n0.320843 0.179158 0.500000 Rb\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.290198 0.525900 0.500000 H\n0.025900 0.790199 0.500000 H\n0.790199 0.290198 0.764299 H\n0.525900 0.025900 0.235702 H\n0.474100 0.974101 0.764299 H\n0.974101 0.209802 0.500000 H\n0.209802 0.709802 0.235702 H\n0.500000 0.500000 0.000000 H\n0.709802 0.474100 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 18,
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"elements": [
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"Mg",
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],
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"density": 2.5144822850705517,
"density_atomic": 0.04769343921449987,
"volume": 377.41040060133884,
"volume_molar": 12.62676975949584,
"formula_full": "Rb6 Mg2 H10",
"formula_reduced": "Rb3MgH5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.1734454500000002,
"spacegroup": 140
},
{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Rb",
"density": 2.287126172274002,
"density_atomic": 0.03660450241331852,
"volume": 218.5523493713496,
"volume_molar": 16.45191264178706,
"formula_full": "Rb1 Mg6 Ga1",
"formula_reduced": "RbMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
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"density": 2.0786104965120438,
"density_atomic": 0.03487514922758951,
"volume": 229.38969946173737,
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"formula_full": "Rb1 Mg6 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-22366",
"created_at": "2022-09-04T14:37:51.521689Z",
"updated_at": "2022-09-04T14:37:51.521712Z",
"structure_string": "Rb2 Mg1 F4\n1.0\n3.910276 0.000000 -1.103127\n-0.311203 3.897872 -1.103127\n-0.001728 -0.001872 7.475852\nRb Mg F\n2 1 4\ndirect\n0.649772 0.649771 0.299542 Rb\n0.350229 0.350229 0.700457 Rb\n0.000000 0.000000 0.000000 Mg\n0.500001 -0.000000 -0.000000 F\n0.000000 0.500000 -0.000000 F\n0.853932 0.853931 0.707862 F\n0.146069 0.146069 0.292137 F\n",
"nsites": 7,
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"elements": [
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],
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"density": 3.953296940889623,
"density_atomic": 0.06144179705282152,
"volume": 113.92895936917502,
"volume_molar": 9.801374713735612,
"formula_full": "Rb2 Mg1 F4",
"formula_reduced": "Rb2MgF4",
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"spacegroup": 139
},
{
"id": "jvasp-87240",
"created_at": "2022-09-04T14:35:51.489589Z",
"updated_at": "2022-09-04T14:35:51.489617Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n6.854623 0.000000 -0.000000\n-3.427312 5.936278 0.000000\n-0.000000 -0.000000 14.191360\nRb Mg F\n6 6 18\ndirect\n0.333333 0.666667 0.139453 Rb\n0.333333 0.666667 0.360547 Rb\n0.666667 0.333333 0.860547 Rb\n0.666667 0.333333 0.639453 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.842112 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.157888 Mg\n0.333333 0.666667 0.657888 Mg\n0.666667 0.333333 0.342112 Mg\n0.543732 0.087465 0.250000 F\n0.912534 0.456267 0.250000 F\n0.456267 0.543733 0.750000 F\n0.087466 0.543733 0.750000 F\n0.865498 0.134502 0.915096 F\n0.134502 0.269005 0.084904 F\n0.269005 0.134502 0.584904 F\n0.134502 0.269005 0.415096 F\n0.730995 0.865498 0.415096 F\n0.456268 0.912535 0.750000 F\n0.865498 0.134502 0.584904 F\n0.134502 0.865498 0.084904 F\n0.269005 0.134502 0.915096 F\n0.865498 0.730995 0.915096 F\n0.730995 0.865498 0.084904 F\n0.543733 0.456267 0.250000 F\n0.134502 0.865498 0.415096 F\n0.865498 0.730995 0.584904 F\n",
"nsites": 30,
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"elements": [
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],
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"density": 2.8773405829189023,
"density_atomic": 0.051951660430401225,
"volume": 577.4598877391128,
"volume_molar": 11.591815757395784,
"formula_full": "Rb6 Mg6 F18",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.127516,
"spacegroup": 194
},
{
"id": "jvasp-22719",
"created_at": "2022-09-04T14:36:42.955548Z",
"updated_at": "2022-09-04T14:36:42.955572Z",
"structure_string": "Rb1 Mg1 F3\n1.0\n4.086507 0.000000 0.000000\n-0.000000 4.086507 -0.000000\n-0.000000 -0.000000 4.086507\nRb Mg F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
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"density": 4.057935141246848,
"density_atomic": 0.07326781881788456,
"volume": 68.24278490435296,
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"formula_full": "Rb1 Mg1 F3",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
}
]
}