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{
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{
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"structure_string": "Be1 Ni1 Sb1\n1.0\n1.897457 -3.286491 0.000000\n1.897457 3.286491 -0.000000\n0.000000 0.000000 3.578492\nBe Ni Sb\n1 1 1\ndirect\n0.000000 0.000000 0.166679 Be\n0.666668 0.333334 0.166654 Ni\n0.333334 0.666668 0.666666 Sb\n",
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{
"id": "jvasp-16524",
"created_at": "2022-09-04T14:37:47.276777Z",
"updated_at": "2022-09-04T14:37:47.276794Z",
"structure_string": "Pr3 Ga1\n1.0\n4.877066 0.000000 0.000000\n-0.000000 4.877066 -0.000000\n0.000000 -0.000000 4.877066\nPr Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Ga\n",
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"density_atomic": 0.034481336666167366,
"volume": 116.00478365227492,
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"formula_full": "Pr3 Ga1",
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{
"id": "jvasp-70931",
"created_at": "2022-09-04T14:36:05.033949Z",
"updated_at": "2022-09-04T14:36:05.033970Z",
"structure_string": "Be2 Hg1 Br1\n1.0\n3.432909 -3.431664 0.000000\n3.432909 3.431664 0.000000\n0.000000 0.000000 2.984712\nBe Hg Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Br\n",
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{
"id": "jvasp-40977",
"created_at": "2022-09-04T14:37:53.858752Z",
"updated_at": "2022-09-04T14:37:53.858770Z",
"structure_string": "Ca2 Pd1 Au1\n1.0\n0.000000 3.561552 3.561552\n3.561552 -0.000000 3.561552\n3.561552 3.561552 -0.000000\nCa Pd Au\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:36:22.265436Z",
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"structure_string": "Tb2 H2 O4\n1.0\n0.000000 3.667177 0.000000\n0.002861 0.000000 4.332119\n5.691246 0.000000 -1.967233\nTb H O\n2 2 4\ndirect\n0.250000 0.333480 0.190105 Tb\n0.750001 0.666521 0.809895 Tb\n0.250000 0.985458 0.577944 H\n0.750001 0.014543 0.422057 H\n0.250000 0.765664 0.049908 O\n0.750001 0.234337 0.950093 O\n0.250000 0.753750 0.561572 O\n0.750001 0.246251 0.438429 O\n",
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{
"id": "jvasp-14780",
"created_at": "2022-09-04T14:38:09.691089Z",
"updated_at": "2022-09-04T14:38:09.691121Z",
"structure_string": "Y2 Mn4\n1.0\n4.414671 -0.000000 2.548811\n1.471557 4.162192 2.548811\n0.000000 -0.000000 5.097623\nY Mn\n2 4\ndirect\n0.875000 0.875000 0.874999 Y\n0.125000 0.125000 0.125000 Y\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.500000 -0.000000 Mn\n",
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{
"id": "jvasp-108004",
"created_at": "2022-09-04T14:38:31.357172Z",
"updated_at": "2022-09-04T14:38:31.357198Z",
"structure_string": "Zr3 Mn1\n1.0\n3.917888 0.340236 -4.097740\n-0.391163 3.913131 -4.097740\n-0.282110 -0.340236 5.662308\nZr Mn\n3 1\ndirect\n0.750001 0.250000 0.500001 Zr\n0.250001 0.749999 0.500000 Zr\n0.500001 0.500000 0.000001 Zr\n0.000000 0.000000 0.000000 Mn\n",
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{
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"created_at": "2022-09-04T14:36:21.896101Z",
"updated_at": "2022-09-04T14:36:21.896122Z",
"structure_string": "Y2 Mn3 Fe1\n1.0\n4.523469 0.194590 2.587255\n1.591198 4.238836 2.587255\n0.268382 0.194590 5.204194\nY Mn Fe\n2 3 1\ndirect\n0.623225 0.623226 0.623223 Y\n0.376775 0.376775 0.376774 Y\n0.000000 0.500001 -0.000001 Mn\n0.500000 0.000000 -0.000001 Mn\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n",
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},
{
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"created_at": "2022-09-04T14:37:17.050494Z",
"updated_at": "2022-09-04T14:37:17.050514Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258389 0.000000 0.000000\n-1.629194 2.821861 -0.005459\n0.000000 0.047129 25.720266\nMo W Se S\n2 2 4 4\ndirect\n0.333069 0.666136 0.005658 Mo\n0.666604 0.333208 0.254921 Mo\n0.333377 0.666752 0.495909 W\n0.666951 0.333899 0.746429 W\n0.333648 0.667296 0.812861 Se\n0.666391 0.332779 0.939638 Se\n0.666422 0.332842 0.071664 Se\n0.333600 0.667200 0.680015 Se\n0.333289 0.666578 0.315006 S\n0.666669 0.333334 0.435529 S\n0.666747 0.333491 0.556310 S\n0.333242 0.666485 0.194808 S\n",
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{
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"structure_string": "Er1 Cu1 Se2\n1.0\n2.032162 -3.519807 0.000000\n2.032162 3.519807 -0.000000\n-0.000000 0.000000 6.402795\nEr Cu Se\n1 1 2\ndirect\n0.000000 -0.000000 0.487881 Er\n0.666667 0.333332 0.874052 Cu\n0.333332 0.666667 0.755806 Se\n0.666667 0.333332 0.254262 Se\n",
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