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{
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{
"id": "jvasp-18262",
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"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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{
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"structure_string": "Ti2 Ga1 Re1\n1.0\n3.834704 -0.000000 2.213967\n1.278235 3.615394 2.213967\n-0.000000 -0.000000 4.427935\nTi Ga Re\n2 1 1\ndirect\n0.749999 0.749999 0.750001 Ti\n0.250000 0.250000 0.250000 Ti\n0.499999 0.499999 0.500001 Ga\n0.000000 0.000000 0.000000 Re\n",
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{
"id": "jvasp-116571",
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"structure_string": "Ti6 Ga16 Rh7\n1.0\n7.451477 -0.000000 4.302112\n2.483826 7.025320 4.302112\n-0.000000 -0.000000 8.604224\nTi Ga Rh\n6 16 7\ndirect\n0.699085 0.300915 0.300915 Ti\n0.699085 0.300915 0.699084 Ti\n0.699085 0.699085 0.300914 Ti\n0.300916 0.699085 0.699084 Ti\n0.300916 0.699085 0.300915 Ti\n0.300916 0.300915 0.699084 Ti\n0.646798 0.646798 0.646797 Ga\n0.646798 0.646798 0.059607 Ga\n0.646798 0.059607 0.646797 Ga\n0.059608 0.646798 0.646797 Ga\n0.353203 0.353202 0.353202 Ga\n0.353203 0.353202 0.940392 Ga\n0.353203 0.940393 0.353202 Ga\n0.940393 0.353202 0.353202 Ga\n0.876660 0.876659 0.370022 Ga\n0.876660 0.370023 0.876658 Ga\n0.370024 0.876659 0.876658 Ga\n0.123341 0.123341 0.123341 Ga\n0.123341 0.123341 0.629976 Ga\n0.123341 0.629977 0.123341 Ga\n0.629977 0.123341 0.123341 Ga\n0.876660 0.876659 0.876658 Ga\n0.000000 0.500000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 -0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500001 0.500000 -0.000001 Rh\n0.000000 0.500000 0.499999 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 29,
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"volume": 450.4226116396236,
"volume_molar": 9.353477133726301,
"formula_full": "Ti6 Ga16 Rh7",
"formula_reduced": "Ti6Ga16Rh7",
"formula_anonymous": "A6B7C16",
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"spacegroup": 225
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{
"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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"elements": [
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"density": 9.355527986178007,
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"volume": 57.40135623247643,
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"formula_full": "Ti1 Ga1 Rh2",
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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
},
{
"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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"elements": [
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"Ga",
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"volume": 56.71673331324743,
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"formula_full": "Ti1 Ga1 Ru2",
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},
{
"id": "jvasp-110874",
"created_at": "2022-09-04T14:38:38.105149Z",
"updated_at": "2022-09-04T14:38:38.105172Z",
"structure_string": "Ti2 Ga1 Tc1\n1.0\n3.825536 -0.000000 2.208674\n1.275179 3.606750 2.208674\n-0.000000 -0.000000 4.417349\nTi Ga Tc\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Ti\n0.250000 0.250000 0.249999 Ti\n0.500001 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Tc\n",
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"Tc"
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"volume": 60.94948585809283,
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"formula_full": "Ti2 Ga1 Tc1",
"formula_reduced": "Ti2GaTc",
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"spacegroup": 225
},
{
"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",
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"elements": [
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},
{
"id": "jvasp-75755",
"created_at": "2022-09-04T14:35:41.920991Z",
"updated_at": "2022-09-04T14:35:41.921007Z",
"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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"As"
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"volume": 61.856311524945326,
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"formula_full": "Ti1 Ge1 As1",
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"spacegroup": 216
},
{
"id": "jvasp-16218",
"created_at": "2022-09-04T14:36:55.299685Z",
"updated_at": "2022-09-04T14:36:55.299723Z",
"structure_string": "Ti4 Ge2 C2\n1.0\n1.549456 -2.683736 0.000000\n1.549456 2.683736 0.000000\n-0.000000 -0.000000 12.956854\nTi Ge C\n4 2 2\ndirect\n0.666669 0.333334 0.410813 Ti\n0.333334 0.666669 0.589186 Ti\n0.333334 0.666669 0.910813 Ti\n0.666669 0.333334 0.089186 Ti\n0.666669 0.333334 0.750000 Ge\n0.333334 0.666669 0.250000 Ge\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"elements": [
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"formula_full": "Ti4 Ge2 C2",
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},
{
"id": "jvasp-116921",
"created_at": "2022-09-04T14:38:44.399980Z",
"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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"formula_full": "Ti6 Ge6 Ir6",
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"spacegroup": 46
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{
"id": "jvasp-30404",
"created_at": "2022-09-04T14:37:59.750604Z",
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