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{
"id": "jvasp-35664",
"created_at": "2022-09-04T14:37:30.478597Z",
"updated_at": "2022-09-04T14:37:30.478624Z",
"structure_string": "Mg1 Be2 P2\n1.0\n1.826705 -3.163947 0.000000\n1.826705 3.163947 -0.000000\n0.000000 0.000000 6.230779\nMg Be P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.373620 Be\n0.333334 0.666668 0.626380 Be\n0.666668 0.333334 0.732781 P\n0.333334 0.666668 0.267219 P\n",
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{
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"structure_string": "Mg1 Be2 Pb1\n1.0\n3.040552 -0.000000 -0.000000\n0.000000 3.040552 0.000000\n0.000000 0.000000 7.719857\nMg Be Pb\n1 2 1\ndirect\n0.000000 0.000000 0.431622 Mg\n0.000000 0.000000 0.088601 Be\n0.500000 0.500000 0.194498 Be\n0.500000 0.500000 0.785279 Pb\n",
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"formula_full": "Mg1 Be2 Pb1",
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{
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"structure_string": "Mg1 Be2 Pb1\n1.0\n-2.018958 2.018958 4.200741\n2.018958 -2.018958 4.200741\n2.018958 2.018958 -4.200741\nMg Be Pb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Pb\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.058400898045608725,
"volume": 68.49209744816189,
"volume_molar": 10.311726294511692,
"formula_full": "Mg1 Be2 Pb1",
"formula_reduced": "MgBe2Pb",
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"spacegroup": 119
},
{
"id": "jvasp-67694",
"created_at": "2022-09-04T14:36:13.015368Z",
"updated_at": "2022-09-04T14:36:13.015386Z",
"structure_string": "Mg1 Be1 Pb1\n1.0\n-1.611542 1.611542 6.079601\n1.611542 -1.611542 6.079601\n1.611542 1.611542 -6.079601\nMg Be Pb\n1 1 1\ndirect\n0.365560 0.365560 0.000000 Mg\n0.988303 0.988303 0.000000 Be\n0.646136 0.646136 0.000000 Pb\n",
"nsites": 3,
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"elements": [
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"density": 6.323781825010338,
"density_atomic": 0.04750101923974293,
"volume": 63.156539544102536,
"volume_molar": 12.677919034969724,
"formula_full": "Mg1 Be1 Pb1",
"formula_reduced": "MgBePb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5946608966666667,
"spacegroup": 107
},
{
"id": "jvasp-71489",
"created_at": "2022-09-04T14:36:14.821663Z",
"updated_at": "2022-09-04T14:36:14.821673Z",
"structure_string": "Mg1 Be1 Pb2\n1.0\n3.424992 0.000000 0.000000\n0.000000 3.424992 0.000000\n0.000000 0.000000 8.095025\nMg Be Pb\n1 1 2\ndirect\n0.500000 0.500000 0.698470 Mg\n0.000000 0.000000 0.534166 Be\n0.000000 0.000000 0.945705 Pb\n0.500000 0.500000 0.321660 Pb\n",
"nsites": 4,
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"elements": [
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"density": 7.829166729646102,
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"volume": 94.95925903377308,
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"formula_full": "Mg1 Be1 Pb2",
"formula_reduced": "MgBePb2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-65252",
"created_at": "2022-09-04T14:35:56.835494Z",
"updated_at": "2022-09-04T14:35:56.835520Z",
"structure_string": "Mg4 Be1 Pb1\n1.0\n0.000000 4.090846 4.090846\n4.090846 -0.000000 4.090846\n4.090846 4.090846 -0.000000\nMg Be Pb\n4 1 1\ndirect\n0.123470 0.625511 0.625511 Mg\n0.625511 0.625511 0.625511 Mg\n0.625511 0.123470 0.625511 Mg\n0.625511 0.625511 0.123470 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"elements": [
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],
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"volume": 136.92078740048163,
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"formula_full": "Mg4 Be1 Pb1",
"formula_reduced": "Mg4BePb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-72942",
"created_at": "2022-09-04T14:36:01.376761Z",
"updated_at": "2022-09-04T14:36:01.376780Z",
"structure_string": "Mg1 Be2 Pd1\n1.0\n-2.047529 2.047529 2.895552\n2.047529 -2.047529 2.895552\n2.047529 2.047529 -2.895552\nMg Be Pd\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 48.55695933165167,
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"formula_full": "Mg1 Be2 Pd1",
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"spacegroup": 225
},
{
"id": "jvasp-74067",
"created_at": "2022-09-04T14:36:11.179225Z",
"updated_at": "2022-09-04T14:36:11.179247Z",
"structure_string": "Mg1 Be1 Pd2\n1.0\n3.095839 0.000000 0.000000\n0.000000 3.095839 0.000000\n0.000000 0.000000 6.042229\nMg Be Pd\n1 1 2\ndirect\n0.500000 0.500000 0.752041 Mg\n0.000000 0.000000 0.435205 Be\n0.000000 0.000000 0.003272 Pd\n0.500000 0.500000 0.309483 Pd\n",
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"formula_full": "Mg1 Be1 Pd2",
"formula_reduced": "MgBePd2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-65105",
"created_at": "2022-09-04T14:38:08.742011Z",
"updated_at": "2022-09-04T14:38:08.742039Z",
"structure_string": "Mg4 Be1 Pd1\n1.0\n0.000000 3.838005 3.838005\n3.838005 0.000000 3.838005\n3.838005 3.838005 -0.000000\nMg Be Pd\n4 1 1\ndirect\n0.125784 0.624739 0.624739 Mg\n0.624739 0.624739 0.624739 Mg\n0.624739 0.125784 0.624739 Mg\n0.624739 0.624739 0.125784 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n",
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"formula_full": "Mg4 Be1 Pd1",
"formula_reduced": "Mg4BePd",
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"spacegroup": 216
},
{
"id": "jvasp-74348",
"created_at": "2022-09-04T14:36:06.839506Z",
"updated_at": "2022-09-04T14:36:06.839529Z",
"structure_string": "Mg4 Be1 Pt1\n1.0\n0.000000 3.787532 3.787532\n3.787532 0.000000 3.787532\n3.787532 3.787532 -0.000000\nMg Be Pt\n4 1 1\ndirect\n0.126206 0.624598 0.624598 Mg\n0.624598 0.624598 0.624598 Mg\n0.624598 0.126206 0.624598 Mg\n0.624598 0.624598 0.126206 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-72381",
"created_at": "2022-09-04T14:35:43.211851Z",
"updated_at": "2022-09-04T14:35:43.211873Z",
"structure_string": "Mg2 Be1 Pt1\n1.0\n-2.188353 2.188353 3.172406\n2.188353 -2.188353 3.172406\n2.188353 2.188353 -3.172406\nMg Be Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.000000 Mg\n0.750000 0.250000 0.499999 Be\n0.250000 0.750000 0.499999 Pt\n",
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},
{
"id": "jvasp-72079",
"created_at": "2022-09-04T14:36:16.576093Z",
"updated_at": "2022-09-04T14:36:16.576112Z",
"structure_string": "Mg2 Be1 Pt1\n1.0\n-1.949794 1.949794 3.919055\n1.949794 -1.949794 3.919055\n1.949794 1.949794 -3.919055\nMg Be Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.749999 0.499999 Mg\n0.749999 0.250000 0.499999 Be\n0.500001 0.500001 0.000000 Pt\n",
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