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{
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"structure_string": "Mn2 Be1 Sb1\n1.0\n-1.857428 1.857428 4.014153\n1.857428 -1.857428 4.014153\n1.857428 1.857428 -4.014153\nMn Be Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500001 Mn\n0.750000 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 Sb\n",
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{
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"structure_string": "Mn1 Be1 Sb1\n1.0\n-1.584963 1.584963 4.027657\n1.584963 -1.584963 4.027657\n1.584963 1.584963 -4.027657\nMn Be Sb\n1 1 1\ndirect\n0.651578 0.651578 0.000000 Mn\n0.018680 0.018680 0.000000 Be\n0.329743 0.329743 0.000000 Sb\n",
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{
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"structure_string": "Sc1 Mn1 Be1\n1.0\n1.495469 -2.590229 0.000000\n1.495469 2.590229 -0.000000\n0.000000 -0.000000 5.829862\nSc Mn Be\n1 1 1\ndirect\n0.333333 0.666668 0.671261 Sc\n0.666668 0.333333 0.298024 Mn\n-0.000000 0.000000 0.030715 Be\n",
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"elements": [
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],
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"volume": 45.16519051461607,
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"formula_full": "Sc1 Mn1 Be1",
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},
{
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"created_at": "2022-09-04T14:35:41.493814Z",
"updated_at": "2022-09-04T14:35:41.493836Z",
"structure_string": "Mn1 Be2 Se1\n1.0\n3.063699 0.000000 0.000000\n0.000000 3.063699 0.000000\n0.000000 -0.000000 4.793036\nMn Be Se\n1 2 1\ndirect\n0.000000 0.000000 0.487288 Mn\n0.000000 0.000000 0.029287 Be\n0.500000 0.500000 0.235565 Be\n0.500000 0.500000 0.747860 Se\n",
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],
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"density": 5.607484156320328,
"density_atomic": 0.08891133081098186,
"volume": 44.98864164460286,
"volume_molar": 6.773198314624908,
"formula_full": "Mn1 Be2 Se1",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-70766",
"created_at": "2022-09-04T14:36:09.356972Z",
"updated_at": "2022-09-04T14:36:09.356999Z",
"structure_string": "Mn1 Be1 Se2\n1.0\n3.095254 0.000000 -0.000000\n0.000000 3.095254 0.000000\n0.000000 0.000000 6.616326\nMn Be Se\n1 1 2\ndirect\n0.499999 0.499999 0.722573 Mn\n0.000000 0.000000 0.522051 Be\n0.000000 0.000000 0.893626 Se\n0.499999 0.499999 0.361751 Se\n",
"nsites": 4,
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"volume": 63.38835517372565,
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"formula_full": "Mn1 Be1 Se2",
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},
{
"id": "jvasp-67301",
"created_at": "2022-09-04T14:36:18.650324Z",
"updated_at": "2022-09-04T14:36:18.650340Z",
"structure_string": "Mn1 Be2 Se1\n1.0\n3.063640 0.000000 0.000000\n0.000000 3.063640 -0.000000\n0.000000 -0.000000 4.793068\nMn Be Se\n1 2 1\ndirect\n0.000000 0.000000 0.487276 Mn\n0.000000 0.000000 0.029272 Be\n0.500000 0.500000 0.235575 Be\n0.500000 0.500000 0.747877 Se\n",
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"volume": 44.987209248256164,
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"formula_full": "Mn1 Be2 Se1",
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},
{
"id": "jvasp-71229",
"created_at": "2022-09-04T14:35:52.051906Z",
"updated_at": "2022-09-04T14:35:52.051930Z",
"structure_string": "Mn1 Be1 Se2\n1.0\n3.095375 0.000000 0.000000\n0.000000 3.095375 0.000000\n0.000000 0.000000 6.616149\nMn Be Se\n1 1 2\ndirect\n0.499999 0.499999 0.722586 Mn\n0.000000 0.000000 0.522026 Be\n0.000000 0.000000 0.893626 Se\n0.499999 0.499999 0.361763 Se\n",
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"volume": 63.39161534098721,
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"formula_full": "Mn1 Be1 Se2",
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{
"id": "jvasp-70035",
"created_at": "2022-09-04T14:36:14.887915Z",
"updated_at": "2022-09-04T14:36:14.887947Z",
"structure_string": "Mn1 Be2 Se1\n1.0\n-1.712531 1.712531 4.023201\n1.712531 -1.712531 4.023201\n1.712531 1.712531 -4.023201\nMn Be Se\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Se\n",
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"formula_full": "Mn1 Be2 Se1",
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},
{
"id": "jvasp-69503",
"created_at": "2022-09-04T14:35:50.020594Z",
"updated_at": "2022-09-04T14:35:50.020615Z",
"structure_string": "Mn1 Be2 Si1\n1.0\n2.926806 0.000000 0.000000\n0.000000 2.926806 0.000000\n0.000000 0.000000 4.715860\nMn Be Si\n1 2 1\ndirect\n0.000000 0.000000 0.500856 Mn\n0.000000 0.000000 0.015841 Be\n0.500001 0.500001 0.244475 Be\n0.500001 0.500001 0.738828 Si\n",
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],
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"formula_full": "Mn1 Be2 Si1",
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},
{
"id": "jvasp-70566",
"created_at": "2022-09-04T14:36:05.291118Z",
"updated_at": "2022-09-04T14:36:05.291149Z",
"structure_string": "Mn1 Be2 Si1\n1.0\n2.421981 -0.000000 0.000000\n-0.000000 2.421981 0.000000\n0.000000 -0.000000 7.316290\nMn Be Si\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.775478 Be\n0.000000 0.000000 0.224522 Be\n0.500000 0.500000 0.500000 Si\n",
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},
{
"id": "jvasp-67112",
"created_at": "2022-09-04T14:35:42.120339Z",
"updated_at": "2022-09-04T14:35:42.120364Z",
"structure_string": "Mn1 Be2 Si1\n1.0\n2.961487 0.000000 0.000000\n-0.000000 2.961487 -0.000000\n0.000000 0.000000 4.626757\nMn Be Si\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.771585 Be\n0.000000 0.000000 0.228415 Be\n0.500001 0.500001 0.500000 Si\n",
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{
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"created_at": "2022-09-04T14:36:17.951219Z",
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"structure_string": "Mn1 Be1 Si1\n1.0\n1.299976 -2.251624 0.000000\n1.299976 2.251624 -0.000000\n0.000000 0.000000 5.751192\nMn Be Si\n1 1 1\ndirect\n0.333335 0.666668 0.672682 Mn\n0.000000 0.000000 0.992149 Be\n0.666668 0.333335 0.335168 Si\n",
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