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{
"id": "jvasp-67124",
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{
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"structure_string": "Be1 Hg4 Pt1\n1.0\n0.000000 4.005721 4.005721\n4.005721 -0.000000 4.005721\n4.005721 4.005721 0.000000\nBe Hg Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125484 0.624838 0.624838 Hg\n0.624838 0.624838 0.624838 Hg\n0.624838 0.125484 0.624838 Hg\n0.624838 0.624838 0.125484 Hg\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-71518",
"created_at": "2022-09-04T14:35:58.903683Z",
"updated_at": "2022-09-04T14:35:58.903719Z",
"structure_string": "Be2 Hg1 Pt1\n1.0\n3.086611 -0.000000 0.000000\n-0.000000 3.086611 0.000000\n-0.000000 -0.000000 5.736334\nBe Hg Pt\n2 1 1\ndirect\n0.000000 0.000000 0.990851 Be\n0.500000 0.500000 0.219898 Be\n0.000000 0.000000 0.453687 Hg\n0.500000 0.500000 0.835564 Pt\n",
"nsites": 4,
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"elements": [
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"density": 12.569982452237461,
"density_atomic": 0.0731916877527354,
"volume": 54.65101465501468,
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"formula_full": "Be2 Hg1 Pt1",
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"spacegroup": 99
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{
"id": "jvasp-70855",
"created_at": "2022-09-04T14:35:51.745517Z",
"updated_at": "2022-09-04T14:35:51.745536Z",
"structure_string": "Be1 Hg4 Pd1\n1.0\n0.000000 4.037263 4.037263\n4.037263 -0.000000 4.037263\n4.037263 4.037263 0.000000\nBe Hg Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125718 0.624761 0.624761 Hg\n0.624761 0.624761 0.624761 Hg\n0.624761 0.125718 0.624761 Hg\n0.624761 0.624761 0.125718 Hg\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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"elements": [
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"Hg",
"Pd"
],
"chemical_system": "Be-Hg-Pd",
"density": 11.579833922977668,
"density_atomic": 0.045589006696742755,
"volume": 131.61067622972993,
"volume_molar": 13.209633629570328,
"formula_full": "Be1 Hg4 Pd1",
"formula_reduced": "BeHg4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-67673",
"created_at": "2022-09-04T14:36:13.257354Z",
"updated_at": "2022-09-04T14:36:13.257372Z",
"structure_string": "Be2 Hg1 Pd1\n1.0\n2.913601 -2.913725 0.000000\n2.913601 2.913725 0.000000\n0.000000 0.000000 3.070899\nBe Hg Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Hg-Pd",
"density": 10.351522009864816,
"density_atomic": 0.07671597781604018,
"volume": 52.140376931540054,
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"formula_full": "Be2 Hg1 Pd1",
"formula_reduced": "Be2HgPd",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-71376",
"created_at": "2022-09-04T14:36:11.608521Z",
"updated_at": "2022-09-04T14:36:11.608549Z",
"structure_string": "Be1 Hg1 Pd1\n1.0\n1.519813 -2.632392 0.000000\n1.519813 2.632392 -0.000000\n-0.000000 -0.000000 5.920552\nBe Hg Pd\n1 1 1\ndirect\n0.000000 0.000000 0.033468 Be\n0.666666 0.333332 0.687410 Hg\n0.333332 0.666666 0.279121 Pd\n",
"nsites": 3,
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"elements": [
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],
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"volume": 47.373220840035934,
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"formula_full": "Be1 Hg1 Pd1",
"formula_reduced": "BeHgPd",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-68221",
"created_at": "2022-09-04T14:36:19.553607Z",
"updated_at": "2022-09-04T14:36:19.553632Z",
"structure_string": "Be1 Hg1 Pd2\n1.0\n-1.956300 1.956300 3.986234\n1.956300 -1.956300 3.986234\n1.956300 1.956300 -3.986234\nBe Hg Pd\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Be\n0.750000 0.250000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 11.495362852544844,
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"volume": 61.02301907202984,
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"formula_full": "Be1 Hg1 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-72247",
"created_at": "2022-09-04T14:35:54.895729Z",
"updated_at": "2022-09-04T14:35:54.895764Z",
"structure_string": "Be1 Hg2 Pd1\n1.0\n-1.976059 1.976059 4.374086\n1.976059 -1.976059 4.374086\n1.976059 1.976059 -4.374086\nBe Hg Pd\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Pd\n",
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"elements": [
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"volume": 68.31988451858656,
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"formula_full": "Be1 Hg2 Pd1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
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{
"id": "jvasp-67299",
"created_at": "2022-09-04T14:36:14.300763Z",
"updated_at": "2022-09-04T14:36:14.300781Z",
"structure_string": "Be1 Hg1 Pb1\n1.0\n1.785502 -3.092579 -0.000000\n1.785502 3.092579 0.000000\n-0.000000 -0.000000 5.930740\nBe Hg Pb\n1 1 1\ndirect\n0.000000 0.000000 0.968302 Be\n0.333332 0.666666 0.735663 Hg\n0.666666 0.333332 0.296036 Pb\n",
"nsites": 3,
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"elements": [
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"density": 10.567178825251053,
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"volume": 65.49679131020858,
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"spacegroup": 156
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{
"id": "jvasp-71377",
"created_at": "2022-09-04T14:36:13.151575Z",
"updated_at": "2022-09-04T14:36:13.151590Z",
"structure_string": "Be1 Hg1 Pb2\n1.0\n3.480227 0.000000 -0.000000\n0.000000 3.480227 -0.000000\n0.000000 -0.000000 8.531000\nBe Hg Pb\n1 1 2\ndirect\n-0.000000 0.000000 0.655444 Be\n0.500000 0.500000 0.625857 Hg\n-0.000000 0.000000 0.973816 Pb\n0.500000 0.500000 0.244883 Pb\n",
"nsites": 4,
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],
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"spacegroup": 99
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{
"id": "jvasp-71595",
"created_at": "2022-09-04T14:35:52.306383Z",
"updated_at": "2022-09-04T14:35:52.306407Z",
"structure_string": "Be2 Hg1 P1\n1.0\n3.244283 0.000000 0.000000\n0.000000 3.244283 0.000000\n-0.000000 0.000000 6.078660\nBe Hg P\n2 1 1\ndirect\n0.000000 0.000000 0.904009 Be\n0.500000 0.500000 0.261826 Be\n0.000000 0.000000 0.418981 Hg\n0.500000 0.500000 0.915184 P\n",
"nsites": 4,
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{
"id": "jvasp-68896",
"created_at": "2022-09-04T14:35:59.995098Z",
"updated_at": "2022-09-04T14:35:59.995126Z",
"structure_string": "Be2 Hg1 P1\n1.0\n3.071999 -0.000000 0.000000\n0.000000 3.071999 0.000000\n0.000000 0.000000 6.100044\nBe Hg P\n2 1 1\ndirect\n-0.000000 0.000000 0.671606 Be\n-0.000000 0.000000 0.328393 Be\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 P\n",
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