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{
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{
"id": "jvasp-70855",
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"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",
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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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{
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"structure_string": "Be1 Hg4 Ru1\n1.0\n0.000000 3.973827 3.973827\n3.973827 0.000000 3.973827\n3.973827 3.973827 0.000000\nBe Hg Ru\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125646 0.624785 0.624785 Hg\n0.624785 0.624785 0.624785 Hg\n0.624785 0.125646 0.624785 Hg\n0.624785 0.624785 0.125646 Hg\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.04780731862069428,
"volume": 125.50379676392872,
"volume_molar": 12.596692167113519,
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-69849",
"created_at": "2022-09-04T14:35:58.834819Z",
"updated_at": "2022-09-04T14:35:58.834844Z",
"structure_string": "Be1 Hg1 Br1\n1.0\n1.769792 -3.065370 0.000000\n1.769792 3.065370 -0.000000\n0.000000 0.000000 5.968689\nBe Hg Br\n1 1 1\ndirect\n0.000000 0.000000 0.991337 Be\n0.666666 0.333332 0.244566 Hg\n0.333332 0.666666 0.764098 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Be-Br-Hg",
"density": 7.42322907714379,
"density_atomic": 0.046324120026977667,
"volume": 64.76107907182904,
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"formula_full": "Be1 Hg1 Br1",
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"spacegroup": 156
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{
"id": "jvasp-70101",
"created_at": "2022-09-04T14:36:14.205384Z",
"updated_at": "2022-09-04T14:36:14.205404Z",
"structure_string": "Be1 Hg1 Ge4\n1.0\n-0.000000 3.958489 3.958489\n3.958489 -0.000000 3.958489\n3.958489 3.958489 -0.000000\nBe Hg Ge\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Hg\n0.122006 0.625999 0.625999 Ge\n0.625999 0.625999 0.625999 Ge\n0.625999 0.122006 0.625999 Ge\n0.625999 0.625999 0.122006 Ge\n",
"nsites": 6,
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"elements": [
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"density": 6.694861939188559,
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"volume": 124.05615685445538,
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"formula_full": "Be1 Hg1 Ge4",
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"spacegroup": 216
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{
"id": "jvasp-66738",
"created_at": "2022-09-04T14:36:01.471854Z",
"updated_at": "2022-09-04T14:36:01.471880Z",
"structure_string": "Be1 Hg1 Ir1\n1.0\n-1.499035 1.499035 4.999575\n1.499035 -1.499035 4.999575\n1.499035 1.499035 -4.999575\nBe Hg Ir\n1 1 1\ndirect\n0.039818 0.039818 0.000000 Be\n0.335388 0.335388 0.000000 Hg\n0.624795 0.624795 0.000000 Ir\n",
"nsites": 3,
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"density": 14.84783516582766,
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"volume": 44.93829854441691,
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"formula_full": "Be1 Hg1 Ir1",
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{
"id": "jvasp-71486",
"created_at": "2022-09-04T14:36:08.690430Z",
"updated_at": "2022-09-04T14:36:08.690440Z",
"structure_string": "Be1 Hg1 Mo1\n1.0\n1.433862 -2.483523 0.000000\n1.433862 2.483523 -0.000000\n0.000000 -0.000000 6.662014\nBe Hg Mo\n1 1 1\ndirect\n0.000000 0.000000 0.012384 Be\n0.666666 0.333332 0.684142 Hg\n0.333332 0.666666 0.303473 Mo\n",
"nsites": 3,
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"elements": [
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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",
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"Hg",
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"density": 10.567178825251053,
"density_atomic": 0.045803770535739335,
"volume": 65.49679131020858,
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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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"elements": [
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"density": 10.028133798633203,
"density_atomic": 0.03871193727098373,
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"spacegroup": 99
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{
"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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],
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"spacegroup": 156
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{
"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",
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{
"id": "jvasp-68646",
"created_at": "2022-09-04T14:35:54.880720Z",
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"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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