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{
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{
"id": "jvasp-15352",
"created_at": "2022-09-04T14:36:08.302855Z",
"updated_at": "2022-09-04T14:36:08.302881Z",
"structure_string": "Ho1 Ni2 Ge2\n1.0\n3.788657 -0.000000 -1.443578\n-0.550041 3.748517 -1.443578\n-0.010410 -0.012050 5.666114\nHo Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750001 0.250000 0.499999 Ni\n0.250000 0.750001 0.500000 Ni\n0.628005 0.628005 0.256008 Ge\n0.371996 0.371996 0.743991 Ge\n",
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{
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{
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"structure_string": "Ho2 Cu1 O4\n1.0\n-1.926709 1.926709 5.786478\n1.926709 -1.926709 5.786478\n1.926709 1.926709 -5.786478\nHo Cu O\n2 1 4\ndirect\n0.348734 0.348734 0.000000 Ho\n0.651267 0.651267 0.000000 Ho\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 O\n0.750000 0.250000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"formula_full": "Ho2 Cu1 O4",
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{
"id": "jvasp-23622",
"created_at": "2022-09-04T14:37:41.625738Z",
"updated_at": "2022-09-04T14:37:41.625760Z",
"structure_string": "K5 Pb24\n1.0\n10.186119 -0.000000 -3.601337\n-5.093059 8.821437 -3.601337\n-0.000000 0.000000 10.804010\nK Pb\n5 24\ndirect\n0.000000 0.000000 0.361451 K\n0.000000 0.361451 -0.000000 K\n0.361451 0.000000 -0.000000 K\n0.638549 0.638549 0.638548 K\n0.000000 0.000000 0.000000 K\n0.801336 0.610560 -0.000000 Pb\n0.000000 0.801336 0.610560 Pb\n0.809224 0.198664 0.198664 Pb\n0.680770 0.278165 0.680770 Pb\n0.721835 0.402605 0.402605 Pb\n0.402605 0.402605 0.721835 Pb\n0.597395 0.319230 -0.000000 Pb\n0.000000 0.319230 0.597395 Pb\n0.680771 0.680771 0.278165 Pb\n0.319230 0.597395 -0.000000 Pb\n0.597395 0.000000 0.319229 Pb\n0.000000 0.597395 0.319230 Pb\n0.610560 0.801336 -0.000000 Pb\n0.278165 0.680771 0.680770 Pb\n0.402605 0.721835 0.402605 Pb\n0.198664 0.198664 0.809224 Pb\n0.389440 0.190776 0.389440 Pb\n0.190776 0.389440 0.389440 Pb\n0.000000 0.610560 0.801336 Pb\n0.610560 0.000000 0.801336 Pb\n0.801336 0.000000 0.610560 Pb\n0.198664 0.809224 0.198664 Pb\n0.319230 0.000000 0.597395 Pb\n0.389440 0.389440 0.190776 Pb\n",
"nsites": 29,
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"elements": [
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"chemical_system": "K-Pb",
"density": 8.840219288307216,
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"volume": 970.8073593466346,
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"formula_full": "K5 Pb24",
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{
"id": "jvasp-74540",
"created_at": "2022-09-04T14:36:07.770059Z",
"updated_at": "2022-09-04T14:36:07.770083Z",
"structure_string": "Be2 Fe1 Pb1\n1.0\n-1.828104 1.828104 3.949402\n1.828104 -1.828104 3.949402\n1.828104 1.828104 -3.949402\nBe Fe Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Fe\n0.749999 0.250000 0.499999 Pb\n",
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{
"id": "jvasp-99882",
"created_at": "2022-09-04T14:36:36.715159Z",
"updated_at": "2022-09-04T14:36:36.715177Z",
"structure_string": "Er1 P2 Pd2\n1.0\n3.818429 -0.018383 -4.261613\n-0.572119 3.775371 -4.261613\n0.015884 0.018383 5.722019\nEr P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.389156 0.389156 0.000001 P\n0.610845 0.610845 0.000001 P\n0.750000 0.250000 0.500000 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 5,
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{
"id": "jvasp-65147",
"created_at": "2022-09-04T14:35:43.657839Z",
"updated_at": "2022-09-04T14:35:43.657860Z",
"structure_string": "Be1 V1 Rh4\n1.0\n-0.000000 3.538017 3.538017\n3.538017 0.000000 3.538017\n3.538017 3.538017 -0.000000\nBe V Rh\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.750001 0.750001 0.750001 V\n0.374569 0.374569 0.876294 Rh\n0.374569 0.374569 0.374569 Rh\n0.374569 0.876294 0.374569 Rh\n0.876294 0.374569 0.374569 Rh\n",
"nsites": 6,
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"spacegroup": 216
},
{
"id": "jvasp-37906",
"created_at": "2022-09-04T14:37:53.676124Z",
"updated_at": "2022-09-04T14:37:53.676139Z",
"structure_string": "Be1 Ag3\n1.0\n3.967945 -0.000000 -0.000000\n-0.000000 3.967945 -0.000000\n0.000000 0.000000 3.967945\nBe Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.000000 0.500001 Ag\n0.000000 0.500001 0.500001 Ag\n0.500001 0.500001 0.000000 Ag\n",
"nsites": 4,
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},
{
"id": "jvasp-74495",
"created_at": "2022-09-04T14:36:06.448930Z",
"updated_at": "2022-09-04T14:36:06.448950Z",
"structure_string": "Be2 Nb1 Hg1\n1.0\n-1.836876 1.836876 4.335039\n1.836876 -1.836876 4.335039\n1.836876 1.836876 -4.335039\nBe Nb Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Nb\n0.500000 0.500000 0.000000 Hg\n",
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},
{
"id": "jvasp-45308",
"created_at": "2022-09-04T14:38:28.962715Z",
"updated_at": "2022-09-04T14:38:28.962744Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n7.035411 -0.014655 0.303364\n0.289933 7.029450 0.303364\n-0.015303 -0.014655 7.041931\nAg Hg Sb O\n2 6 2 12\ndirect\n0.750000 0.749999 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.908864 0.249999 0.591135 Hg\n0.591136 0.908863 0.249999 Hg\n0.250000 0.591135 0.908863 Hg\n0.408864 0.091135 0.750000 Hg\n0.750000 0.408863 0.091136 Hg\n0.091136 0.750000 0.408863 Hg\n0.500000 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Sb\n0.004745 0.288255 0.991581 O\n0.788255 0.504744 0.491580 O\n0.508419 0.211744 0.495254 O\n0.495255 0.508418 0.211744 O\n0.211745 0.495254 0.508418 O\n0.711745 0.008418 0.995254 O\n0.995254 0.711744 0.008418 O\n0.008419 0.995254 0.711744 O\n0.491581 0.788255 0.504744 O\n0.504745 0.491580 0.788255 O\n0.991581 0.004744 0.288255 O\n0.288255 0.991581 0.004744 O\n",
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{
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"created_at": "2022-09-04T14:36:53.917887Z",
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"structure_string": "Zr3 As3 Ru3\n1.0\n3.321662 -5.753288 -0.000000\n3.321662 5.753288 -0.000000\n-0.000000 0.000000 3.939100\nZr As Ru\n3 3 3\ndirect\n-0.000000 0.582908 0.500000 Zr\n0.582908 -0.000000 0.500000 Zr\n0.417091 0.417091 0.500000 Zr\n0.000000 0.000000 0.500000 As\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n0.755920 0.755920 0.000000 Ru\n0.244079 -0.000000 0.000000 Ru\n-0.000000 0.244079 0.000000 Ru\n",
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{
"id": "jvasp-57455",
"created_at": "2022-09-04T14:38:33.910584Z",
"updated_at": "2022-09-04T14:38:33.910615Z",
"structure_string": "Hg3 S3\n1.0\n1.974400 -3.419762 -0.000000\n1.974400 3.419762 0.000000\n0.000000 0.000000 9.706868\nHg S\n3 3\ndirect\n0.645172 0.645172 0.000000 Hg\n0.354828 0.000000 0.333333 Hg\n0.000000 0.354828 0.666667 Hg\n0.725887 0.725887 0.500000 S\n0.274113 0.000000 0.833333 S\n0.000000 0.274113 0.166667 S\n",
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}