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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=590",
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"results": [
{
"id": "jvasp-116921",
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"updated_at": "2022-09-04T14:38:44.400014Z",
"structure_string": "Ti6 Ge6 Ir6\n1.0\n6.469571 -0.008667 -3.828504\n-1.648095 5.678176 -4.642733\n0.011902 0.008667 7.517490\nTi Ge Ir\n6 6 6\ndirect\n0.443937 0.397317 0.453381 Ti\n0.556063 0.009444 0.953381 Ti\n0.016436 0.010607 0.494170 Ti\n0.983563 0.477733 0.994171 Ti\n0.249731 0.580314 0.830584 Ti\n0.750270 0.580854 0.330584 Ti\n0.798987 0.049011 0.750023 Ge\n0.201013 0.951035 0.250024 Ge\n0.335542 0.334167 0.005436 Ge\n0.664459 0.669893 -0.001374 Ge\n0.828731 0.334167 0.498626 Ge\n0.171269 0.669894 0.505437 Ge\n0.427583 0.748572 0.422736 Ir\n0.572418 0.995153 0.320991 Ir\n0.825839 0.748572 0.820991 Ir\n0.174162 0.995153 0.922736 Ir\n0.000000 0.254058 0.254058 Ir\n0.500000 0.254058 0.754058 Ir\n",
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{
"id": "jvasp-75755",
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"structure_string": "Ti1 Ge1 As1\n1.0\n-0.000000 3.138952 3.138952\n3.138952 -0.000000 3.138952\n3.138952 3.138952 0.000000\nTi Ge As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ge\n0.500000 0.500000 0.500000 As\n",
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"spacegroup": 216
},
{
"id": "jvasp-93952",
"created_at": "2022-09-04T14:36:12.696426Z",
"updated_at": "2022-09-04T14:36:12.696458Z",
"structure_string": "Ti2 Ge4\n1.0\n4.929906 -0.020213 -1.258881\n-2.917125 3.974262 -1.258881\n-0.031823 -0.062514 5.044648\nTi Ge\n2 4\ndirect\n0.875001 0.125001 0.250001 Ti\n0.125000 0.875000 0.750001 Ti\n0.204493 0.454493 0.908985 Ge\n0.795508 0.545508 0.091017 Ge\n0.454493 0.204493 0.408984 Ge\n0.545508 0.795508 0.591017 Ge\n",
"nsites": 6,
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"elements": [
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"Ge"
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"density": 6.561309904173515,
"density_atomic": 0.061372630938978996,
"volume": 97.76344778123695,
"volume_molar": 9.812420728691977,
"formula_full": "Ti2 Ge4",
"formula_reduced": "TiGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4807834111111111,
"spacegroup": 70
},
{
"id": "jvasp-101030",
"created_at": "2022-09-04T14:36:46.446360Z",
"updated_at": "2022-09-04T14:36:46.446388Z",
"structure_string": "Ti1 Ga1 Tc2\n1.0\n3.770322 -0.000000 2.176797\n1.256774 3.554694 2.176797\n-0.000000 -0.000000 4.353593\nTi Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500001 Ga\n0.250000 0.250000 0.250001 Tc\n0.749999 0.749999 0.750002 Tc\n",
"nsites": 4,
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"elements": [
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"Tc"
],
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"density": 8.924477790142817,
"density_atomic": 0.06855379505763158,
"volume": 58.34833792406815,
"volume_molar": 8.784547602269615,
"formula_full": "Ti1 Ga1 Tc2",
"formula_reduced": "TiGaTc2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41569",
"created_at": "2022-09-04T14:37:51.918816Z",
"updated_at": "2022-09-04T14:37:51.918838Z",
"structure_string": "Ti1 Ga1 Ru2\n1.0\n-0.000000 3.049489 3.049489\n3.049489 0.000000 3.049489\n3.049489 3.049489 -0.000000\nTi Ga Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.250001 0.250001 0.250001 Ga\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"volume": 56.71673331324743,
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"formula_full": "Ti1 Ga1 Ru2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40035",
"created_at": "2022-09-04T14:37:48.346619Z",
"updated_at": "2022-09-04T14:37:48.346638Z",
"structure_string": "Ti1 Ga1 Rh2\n1.0\n0.000000 3.061710 3.061710\n3.061710 0.000000 3.061710\n3.061710 3.061710 0.000000\nTi Ga Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
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"formula_full": "Ti1 Ga1 Rh2",
"formula_reduced": "TiGaRh2",
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"spacegroup": 225
},
{
"id": "jvasp-56870",
"created_at": "2022-09-04T14:38:35.746483Z",
"updated_at": "2022-09-04T14:38:35.746514Z",
"structure_string": "Ti1 Ga1 Rh1\n1.0\n3.606699 -0.000000 2.082329\n1.202233 3.400428 2.082329\n0.000000 0.000000 4.164657\nTi Ga Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 51.07668725091973,
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"formula_full": "Ti1 Ga1 Rh1",
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"spacegroup": 216
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{
"id": "jvasp-18262",
"created_at": "2022-09-04T14:38:10.052517Z",
"updated_at": "2022-09-04T14:38:10.052547Z",
"structure_string": "Ti2 Ga2 Pt2\n1.0\n2.205985 -3.820878 -0.000000\n2.205985 3.820878 0.000000\n-0.000000 0.000000 5.491922\nTi Ga Pt\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333332 0.666666 0.250000 Ga\n0.666666 0.333332 0.750000 Ga\n0.333332 0.666666 0.750000 Pt\n0.666666 0.333332 0.250000 Pt\n",
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"volume": 92.58061941752217,
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"formula_full": "Ti2 Ga2 Pt2",
"formula_reduced": "TiGaPt",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-40023",
"created_at": "2022-09-04T14:37:40.662845Z",
"updated_at": "2022-09-04T14:37:40.662859Z",
"structure_string": "Ti1 Ga1 Pd2\n1.0\n-0.000000 3.124414 3.124414\n3.124414 -0.000000 3.124414\n3.124414 3.124414 0.000000\nTi Ga Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250001 0.250001 0.250001 Ga\n0.499998 0.499998 0.499998 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.994827660588864,
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"volume": 61.00082675077253,
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"formula_full": "Ti1 Ga1 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-35323",
"created_at": "2022-09-04T14:37:33.940844Z",
"updated_at": "2022-09-04T14:37:33.940869Z",
"structure_string": "Ti2 Ga2 Pd2\n1.0\n2.216643 -3.839337 0.000000\n2.216643 3.839337 0.000000\n-0.000000 -0.000000 5.395504\nTi Ga Pd\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333332 0.666667 0.749999 Ga\n0.666667 0.333332 0.250000 Ga\n0.333332 0.666667 0.250000 Pd\n0.666667 0.333332 0.749999 Pd\n",
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"volume": 91.83622057360746,
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"formula_full": "Ti2 Ga2 Pd2",
"formula_reduced": "TiGaPd",
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"spacegroup": 194
},
{
"id": "jvasp-34303",
"created_at": "2022-09-04T14:37:14.165442Z",
"updated_at": "2022-09-04T14:37:14.165452Z",
"structure_string": "Ti1 Ga4 O8\n1.0\n2.995239 0.000030 0.615389\n1.407969 6.164442 0.744346\n-0.101498 0.158747 8.091700\nTi Ga O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.537206 0.640230 0.285369 Ga\n0.760040 0.844194 0.635734 Ga\n0.239960 0.155806 0.364266 Ga\n0.462794 0.359770 0.714631 Ga\n0.891462 0.526653 0.690418 O\n0.558210 0.806205 0.077374 O\n0.441790 0.193796 0.922626 O\n0.835101 0.109299 0.220515 O\n0.108538 0.473347 0.309583 O\n0.644913 0.169153 0.541021 O\n0.355087 0.830847 0.458980 O\n0.164900 0.890702 0.779486 O\n",
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"volume": 149.57327567811998,
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"formula_full": "Ti1 Ga4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 12
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{
"id": "jvasp-18706",
"created_at": "2022-09-04T14:35:57.157154Z",
"updated_at": "2022-09-04T14:35:57.157180Z",
"structure_string": "Ti1 Ga1 Ni2\n1.0\n3.599874 -0.000000 2.078389\n1.199958 3.393994 2.078389\n-0.000000 -0.000000 4.156776\nTi Ga Ni\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250001 Ni\n0.750000 0.749999 0.750002 Ni\n",
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}