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{
"id": "jvasp-81882",
"created_at": "2022-09-04T14:37:04.014249Z",
"updated_at": "2022-09-04T14:37:04.014277Z",
"structure_string": "Be1 Ga1 Pd2\n1.0\n-9.996206 1.838238 -0.649697\n-7.609581 0.178702 1.750830\n-5.913401 3.565806 -0.543992\nBe Ga Pd\n1 1 2\ndirect\n-0.000049 0.000026 0.000049 Be\n0.500012 -0.000007 -0.000011 Ga\n0.719324 0.062565 -0.000925 Pd\n0.280717 0.937414 0.000885 Pd\n",
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{
"id": "jvasp-69482",
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"updated_at": "2022-09-04T14:36:13.623271Z",
"structure_string": "Be1 Ga2 Pd2\n1.0\n-1.749938 1.749938 6.412166\n1.749938 -1.749938 6.412166\n1.749938 1.749938 -6.412166\nBe Ga Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.750001 0.250000 0.500000 Ga\n0.250000 0.750001 0.500000 Ga\n0.601163 0.601163 0.000000 Pd\n0.398837 0.398837 0.000000 Pd\n",
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"formula_full": "Be1 Ga2 Pd2",
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{
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"created_at": "2022-09-04T14:35:57.895603Z",
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"structure_string": "Be1 Ga1 Pd1\n1.0\n1.429646 -2.476219 -0.000000\n1.429646 2.476219 0.000000\n-0.000000 0.000000 5.793137\nBe Ga Pd\n1 1 1\ndirect\n0.000000 0.000000 0.016858 Be\n0.666669 0.333334 0.677138 Ga\n0.333334 0.666669 0.306005 Pd\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Be-Ga-Pd",
"density": 7.495896974861509,
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"volume": 41.016760786005,
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"formula_full": "Be1 Ga1 Pd1",
"formula_reduced": "BeGaPd",
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"spacegroup": 156
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{
"id": "jvasp-68422",
"created_at": "2022-09-04T14:36:00.227094Z",
"updated_at": "2022-09-04T14:36:00.227119Z",
"structure_string": "Be1 Ga1 Pb2\n1.0\n-2.105924 2.105924 5.372217\n2.105924 -2.105924 5.372217\n2.105924 2.105924 -5.372217\nBe Ga Pb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Pb\n0.250000 0.749999 0.499999 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Ga-Pb",
"density": 8.59243309162649,
"density_atomic": 0.041972135394337855,
"volume": 95.30132223245448,
"volume_molar": 14.347949427448958,
"formula_full": "Be1 Ga1 Pb2",
"formula_reduced": "BeGaPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.59668751625,
"spacegroup": 119
},
{
"id": "jvasp-71454",
"created_at": "2022-09-04T14:36:10.711865Z",
"updated_at": "2022-09-04T14:36:10.711880Z",
"structure_string": "Be1 Ga1 Pb2\n1.0\n3.461955 0.000000 -0.000000\n0.000000 3.461955 0.000000\n0.000000 0.000000 7.809853\nBe Ga Pb\n1 1 2\ndirect\n0.000000 0.000000 0.562940 Be\n0.500001 0.500001 0.687222 Ga\n0.000000 0.000000 0.930497 Pb\n0.500001 0.500001 0.319340 Pb\n",
"nsites": 4,
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"elements": [
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"Ga",
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],
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"density": 8.748415247604983,
"density_atomic": 0.04273407373008239,
"volume": 93.60212240154921,
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"formula_full": "Be1 Ga1 Pb2",
"formula_reduced": "BeGaPb2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-67696",
"created_at": "2022-09-04T14:36:17.370493Z",
"updated_at": "2022-09-04T14:36:17.370521Z",
"structure_string": "Be1 Ga1 Pb1\n1.0\n-1.613099 1.613099 5.829495\n1.613099 -1.613099 5.829495\n1.613099 1.613099 -5.829495\nBe Ga Pb\n1 1 1\ndirect\n0.962929 0.962929 0.000000 Be\n0.380240 0.380240 0.000000 Ga\n0.656833 0.656833 0.000000 Pb\n",
"nsites": 3,
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"elements": [
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"density": 7.825349135450672,
"density_atomic": 0.04944339518819384,
"volume": 60.67544489170404,
"volume_molar": 12.179868993782156,
"formula_full": "Be1 Ga1 Pb1",
"formula_reduced": "BeGaPb",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-71508",
"created_at": "2022-09-04T14:35:48.755650Z",
"updated_at": "2022-09-04T14:35:48.755670Z",
"structure_string": "Be1 Ga1 P2\n1.0\n2.632499 0.000000 -0.000000\n0.000000 2.632499 0.000000\n0.000000 0.000000 8.846025\nBe Ga P\n1 1 2\ndirect\n0.000000 0.000000 0.491539 Be\n0.500000 0.500000 0.707201 Ga\n0.000000 0.000000 0.974875 P\n0.500000 0.500000 0.326388 P\n",
"nsites": 4,
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"elements": [
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"Ga",
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],
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"density": 3.810704023869781,
"density_atomic": 0.0652492312292394,
"volume": 61.30340426459347,
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"formula_full": "Be1 Ga1 P2",
"formula_reduced": "BeGaP2",
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},
{
"id": "jvasp-67253",
"created_at": "2022-09-04T14:35:49.591462Z",
"updated_at": "2022-09-04T14:35:49.591476Z",
"structure_string": "Be1 Ga1 P1\n1.0\n-1.408620 1.408620 5.725274\n1.408620 -1.408620 5.725274\n1.408620 1.408620 -5.725274\nBe Ga P\n1 1 1\ndirect\n0.019527 0.019527 0.000000 Be\n0.357084 0.357084 0.000000 Ga\n0.623389 0.623389 0.000000 P\n",
"nsites": 3,
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"volume": 45.44059066525362,
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"formula_full": "Be1 Ga1 P1",
"formula_reduced": "BeGaP",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-67892",
"created_at": "2022-09-04T14:35:58.335614Z",
"updated_at": "2022-09-04T14:35:58.335641Z",
"structure_string": "Be1 Ga1 Os2\n1.0\n-1.886612 1.886612 3.742754\n1.886612 -1.886612 3.742754\n1.886612 1.886612 -3.742754\nBe Ga Os\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Be\n0.749999 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Os\n0.250000 0.749999 0.499999 Os\n",
"nsites": 4,
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"elements": [
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"volume": 53.28640968671964,
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"formula_full": "Be1 Ga1 Os2",
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},
{
"id": "jvasp-68854",
"created_at": "2022-09-04T14:36:02.064246Z",
"updated_at": "2022-09-04T14:36:02.064268Z",
"structure_string": "Be1 Ga1 Os1\n1.0\n1.396420 -2.418669 -0.000000\n1.396420 2.418669 -0.000000\n0.000000 -0.000000 5.930444\nBe Ga Os\n1 1 1\ndirect\n0.000000 0.000000 0.984707 Be\n0.333333 0.666667 0.324874 Ga\n0.666667 0.333333 0.690417 Os\n",
"nsites": 3,
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],
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"formula_full": "Be1 Ga1 Os1",
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},
{
"id": "jvasp-37909",
"created_at": "2022-09-04T14:37:59.955921Z",
"updated_at": "2022-09-04T14:37:59.955946Z",
"structure_string": "Be1 Ga1 O3\n1.0\n3.460375 0.000000 0.000000\n0.000000 3.460375 -0.000000\n0.000000 0.000000 3.460375\nBe Ga O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Be\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
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"volume": 41.435205509740236,
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"formula_full": "Be1 Ga1 O3",
"formula_reduced": "BeGaO3",
"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-68021",
"created_at": "2022-09-04T14:36:09.590329Z",
"updated_at": "2022-09-04T14:36:09.590359Z",
"structure_string": "Be1 Ga1 Mo2\n1.0\n-1.884227 1.884227 3.936018\n1.884227 -1.884227 3.936018\n1.884227 1.884227 -3.936018\nBe Ga Mo\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Ga\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750001 0.500001 Mo\n",
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