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{
"id": "jvasp-68221",
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"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",
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{
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"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",
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{
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"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",
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"density_atomic": 0.07671597781604018,
"volume": 52.140376931540054,
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"formula_full": "Be2 Hg1 Pd1",
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"spacegroup": 123
},
{
"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",
"nsites": 4,
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"elements": [
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"Pd"
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"chemical_system": "Be-Hg-Pd",
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"density_atomic": 0.058548108331649654,
"volume": 68.31988451858656,
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"formula_full": "Be1 Hg2 Pd1",
"formula_reduced": "BeHg2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"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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"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-65205",
"created_at": "2022-09-04T14:36:13.204803Z",
"updated_at": "2022-09-04T14:36:13.204834Z",
"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",
"nsites": 6,
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"elements": [
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"volume": 128.55000189067886,
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"formula_full": "Be1 Hg4 Pt1",
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"spacegroup": 216
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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,
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"volume": 54.65101465501468,
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{
"id": "jvasp-70926",
"created_at": "2022-09-04T14:35:56.830482Z",
"updated_at": "2022-09-04T14:35:56.830510Z",
"structure_string": "Be1 Re2 Hg1\n1.0\n2.984378 0.000000 -0.000000\n0.000000 2.984378 0.000000\n0.000000 0.000000 6.799308\nBe Re Hg\n1 2 1\ndirect\n0.000000 0.000000 0.457199 Be\n0.000000 0.000000 0.049109 Re\n0.500000 0.500000 0.271968 Re\n0.500000 0.500000 0.721724 Hg\n",
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"Hg"
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"volume": 60.55811861247476,
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"formula_full": "Be1 Re2 Hg1",
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{
"id": "jvasp-68537",
"created_at": "2022-09-04T14:35:53.181047Z",
"updated_at": "2022-09-04T14:35:53.181057Z",
"structure_string": "Be2 Re1 Hg1\n1.0\n3.064474 0.000000 0.000000\n0.000000 3.064474 0.000000\n0.000000 -0.000000 5.767091\nBe Re Hg\n2 1 1\ndirect\n0.000000 0.000000 0.680642 Be\n0.000000 0.000000 0.319358 Be\n0.499999 0.499999 0.500000 Re\n0.499999 0.499999 0.000000 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-69587",
"created_at": "2022-09-04T14:35:48.831575Z",
"updated_at": "2022-09-04T14:35:48.831600Z",
"structure_string": "Be2 Re1 Hg1\n1.0\n2.926565 0.000000 0.000000\n0.000000 2.926565 0.000000\n0.000000 0.000000 6.129311\nBe Re Hg\n2 1 1\ndirect\n0.000000 0.000000 0.017928 Be\n0.500001 0.500001 0.198844 Be\n0.500001 0.500001 0.817952 Re\n0.000000 0.000000 0.465276 Hg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-67124",
"created_at": "2022-09-04T14:35:52.406646Z",
"updated_at": "2022-09-04T14:35:52.406657Z",
"structure_string": "Be1 Re1 Hg1\n1.0\n-1.479136 1.479136 5.102042\n1.479136 -1.479136 5.102042\n1.479136 1.479136 -5.102042\nBe Re Hg\n1 1 1\ndirect\n0.023621 0.023621 0.000000 Be\n0.633892 0.633892 0.000000 Re\n0.342486 0.342486 0.000000 Hg\n",
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{
"id": "jvasp-68646",
"created_at": "2022-09-04T14:35:54.880720Z",
"updated_at": "2022-09-04T14:35:54.880744Z",
"structure_string": "Be1 Hg1 Rh1\n1.0\n1.474178 -2.553350 0.000000\n1.474178 2.553350 0.000000\n0.000000 -0.000000 6.067279\nBe Hg Rh\n1 1 1\ndirect\n0.000000 0.000000 0.037775 Be\n0.333334 0.666668 0.681067 Hg\n0.666668 0.333334 0.281158 Rh\n",
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