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{
"id": "jvasp-67819",
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{
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{
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"structure_string": "Be1 Ga1 Ru2\n1.0\n-1.857439 1.857439 3.742786\n1.857439 -1.857439 3.742786\n1.857439 1.857439 -3.742786\nBe Ga Ru\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Be\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"formula_full": "Be1 Ga1 Ru2",
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"spacegroup": 119
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{
"id": "jvasp-71514",
"created_at": "2022-09-04T14:35:52.625525Z",
"updated_at": "2022-09-04T14:35:52.625552Z",
"structure_string": "Be2 Ga1 Ru1\n1.0\n3.067419 0.000000 0.000000\n0.000000 3.067419 0.000000\n0.000000 0.000000 4.930867\nBe Ga Ru\n2 1 1\ndirect\n0.000000 0.000000 0.997097 Be\n0.500000 0.500000 0.233817 Be\n0.000000 0.000000 0.494771 Ga\n0.500000 0.500000 0.774317 Ru\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Ga-Ru",
"density": 6.758052054795946,
"density_atomic": 0.08621652138190587,
"volume": 46.394820109727526,
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"formula_full": "Be2 Ga1 Ru1",
"formula_reduced": "Be2GaRu",
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"energy_above_hull": 1.90812375625,
"spacegroup": 99
},
{
"id": "jvasp-67082",
"created_at": "2022-09-04T14:36:16.376857Z",
"updated_at": "2022-09-04T14:36:16.376882Z",
"structure_string": "Be1 Ga1 Ru1\n1.0\n-1.503198 1.503198 4.117621\n1.503198 -1.503198 4.117621\n1.503198 1.503198 -4.117621\nBe Ga Ru\n1 1 1\ndirect\n0.022875 0.022875 0.000000 Be\n0.331195 0.331195 0.000000 Ga\n0.645929 0.645929 0.000000 Ru\n",
"nsites": 3,
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"volume": 37.216775270495845,
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"formula_full": "Be1 Ga1 Ru1",
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"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-71954",
"created_at": "2022-09-04T14:35:54.980536Z",
"updated_at": "2022-09-04T14:35:54.980564Z",
"structure_string": "Be1 Ga2 Ru1\n1.0\n-1.822504 1.822504 3.937571\n1.822504 -1.822504 3.937571\n1.822504 1.822504 -3.937571\nBe Ga Ru\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ga\n0.250000 0.749999 0.499999 Ga\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Be1 Ga2 Ru1",
"formula_reduced": "BeGa2Ru",
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{
"id": "jvasp-71609",
"created_at": "2022-09-04T14:36:17.981490Z",
"updated_at": "2022-09-04T14:36:17.981507Z",
"structure_string": "Be1 Ga2 Ru1\n1.0\n-1.833333 1.833333 3.874935\n1.833333 -1.833333 3.874935\n1.833333 1.833333 -3.874935\nBe Ga Ru\n1 2 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.000000 Ga\n0.250000 0.750000 0.499999 Ru\n",
"nsites": 4,
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"elements": [
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"formula_full": "Be1 Ga2 Ru1",
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{
"id": "jvasp-65296",
"created_at": "2022-09-04T14:35:43.645103Z",
"updated_at": "2022-09-04T14:35:43.645139Z",
"structure_string": "Be1 Ga4 Rh1\n1.0\n0.000000 3.618426 3.618426\n3.618426 -0.000000 3.618426\n3.618426 3.618426 0.000000\nBe Ga Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125433 0.624857 0.624857 Ga\n0.624857 0.624857 0.624857 Ga\n0.624857 0.125433 0.624857 Ga\n0.624857 0.624857 0.125433 Ga\n0.250000 0.250000 0.250000 Rh\n",
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"Ga",
"Rh"
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"volume": 94.75215184937962,
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"formula_full": "Be1 Ga4 Rh1",
"formula_reduced": "BeGa4Rh",
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"spacegroup": 216
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{
"id": "jvasp-41845",
"created_at": "2022-09-04T14:37:35.801858Z",
"updated_at": "2022-09-04T14:37:35.801876Z",
"structure_string": "Be1 Ga1 Rh2\n1.0\n0.000000 2.919550 2.919550\n2.919550 0.000000 2.919550\n2.919550 2.919550 0.000000\nBe Ga Rh\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Be\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
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"formula_full": "Be1 Ga1 Rh2",
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},
{
"id": "jvasp-74715",
"created_at": "2022-09-04T14:35:59.125015Z",
"updated_at": "2022-09-04T14:35:59.125050Z",
"structure_string": "Be2 Ga1 Rh1\n1.0\n3.000051 0.000000 0.000000\n0.000000 3.000051 -0.000000\n0.000000 0.000000 5.102757\nBe Ga Rh\n2 1 1\ndirect\n0.000000 0.000000 0.006783 Be\n0.500000 0.500000 0.226854 Be\n0.000000 0.000000 0.483401 Ga\n0.500000 0.500000 0.782964 Rh\n",
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},
{
"id": "jvasp-71840",
"created_at": "2022-09-04T14:35:53.160948Z",
"updated_at": "2022-09-04T14:35:53.160984Z",
"structure_string": "Be2 Ga2 Re1\n1.0\n-1.581134 1.581134 6.487435\n1.581134 -1.581134 6.487435\n1.581134 1.581134 -6.487435\nBe Ga Re\n2 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Be\n0.608588 0.608588 0.000000 Ga\n0.391413 0.391413 0.000000 Ga\n0.000000 0.000000 0.000000 Re\n",
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},
{
"id": "jvasp-67832",
"created_at": "2022-09-04T14:36:10.833462Z",
"updated_at": "2022-09-04T14:36:10.833487Z",
"structure_string": "Be1 Ga1 Re2\n1.0\n2.989343 0.000000 -0.000000\n0.000000 2.989343 0.000000\n0.000000 0.000000 6.005018\nBe Ga Re\n1 1 2\ndirect\n0.000000 0.000000 0.484403 Be\n0.500000 0.500000 0.724170 Ga\n0.000000 0.000000 0.014877 Re\n0.500000 0.500000 0.276550 Re\n",
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}