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{
"id": "jvasp-117964",
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{
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{
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"created_at": "2022-09-04T14:38:51.115536Z",
"updated_at": "2022-09-04T14:38:51.115566Z",
"structure_string": "Ca1 Br2\n1.0\n9.319950 0.000000 -0.000000\n-0.000000 9.319950 -0.000000\n0.000000 -0.000000 9.652691\nCa Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.270057 Br\n0.000000 0.000000 0.729943 Br\n",
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{
"id": "jvasp-120061",
"created_at": "2022-09-04T14:38:37.866852Z",
"updated_at": "2022-09-04T14:38:37.866877Z",
"structure_string": "Ca1 Br2\n1.0\n5.394567 -0.000000 -0.000000\n-2.697283 4.671832 0.000000\n0.000000 0.000000 4.881106\nCa Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
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"elements": [
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"volume": 123.01612637218557,
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{
"id": "jvasp-120060",
"created_at": "2022-09-04T14:38:37.811092Z",
"updated_at": "2022-09-04T14:38:37.811121Z",
"structure_string": "Ca1 Br2\n1.0\n3.596934 -2.146037 0.638173\n2.125074 -8.647450 0.721850\n1.221369 -7.150733 -3.135875\nCa Br\n1 2\ndirect\n0.035751 0.206761 0.222249 Ca\n0.035188 0.703583 0.473957 Br\n0.036417 0.709843 0.970591 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Br-Ca",
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"spacegroup": 166
},
{
"id": "jvasp-117759",
"created_at": "2022-09-04T14:38:49.631330Z",
"updated_at": "2022-09-04T14:38:49.631345Z",
"structure_string": "Ca1 Br1 O1\n1.0\n4.740988 0.000000 0.000000\n-2.370494 4.105816 -0.000000\n0.000000 -0.000000 4.635342\nCa Br O\n1 1 1\ndirect\n0.333334 0.666668 0.000000 Ca\n0.000000 0.000000 0.000000 Br\n0.666668 0.333334 0.000000 O\n",
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"volume": 90.22982627361415,
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"formula_full": "Ca1 Br1 O1",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-120940",
"created_at": "2022-09-04T14:38:54.556023Z",
"updated_at": "2022-09-04T14:38:54.556050Z",
"structure_string": "Ca1 Br1\n1.0\n5.052180 -0.000000 -0.000000\n-2.526090 4.375316 -0.000000\n0.000000 -0.000000 3.958547\nCa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Br\n",
"nsites": 2,
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"elements": [
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{
"id": "jvasp-123789",
"created_at": "2022-09-04T14:38:55.396956Z",
"updated_at": "2022-09-04T14:38:55.396985Z",
"structure_string": "Ca1 Bi5\n1.0\n2.263816 -3.921055 0.000000\n2.263816 3.921055 -0.000000\n0.000000 -0.000000 11.793818\nCa Bi\n1 5\ndirect\n0.000000 0.000000 0.250004 Ca\n0.666667 0.333334 0.080078 Bi\n0.666667 0.333334 0.579527 Bi\n0.333334 0.666667 0.419933 Bi\n0.333334 0.666667 0.920445 Bi\n0.000000 0.000000 0.750013 Bi\n",
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"spacegroup": 164
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{
"id": "jvasp-10369",
"created_at": "2022-09-04T14:37:12.495204Z",
"updated_at": "2022-09-04T14:37:12.495230Z",
"structure_string": "Ca1 Bi4 O8\n1.0\n5.758021 -0.432050 3.608482\n1.779190 5.493265 3.608482\n-0.643412 -0.432050 6.764760\nCa Bi O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500001 1.000000 0.500000 Bi\n0.999999 0.500000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.749547 0.280688 0.749547 O\n0.250452 0.250453 0.719312 O\n0.250452 0.719314 0.250451 O\n0.719311 0.250453 0.250452 O\n0.268526 0.268528 0.268526 O\n0.731473 0.731474 0.731473 O\n0.280688 0.749549 0.749547 O\n0.749548 0.749549 0.280687 O\n",
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"density": 6.971769609448896,
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"formula_full": "Ca1 Bi4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 166
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{
"id": "jvasp-9279",
"created_at": "2022-09-04T14:38:35.279015Z",
"updated_at": "2022-09-04T14:38:35.279029Z",
"structure_string": "Ca1 Bi4 O8\n1.0\n3.489496 0.004615 0.003432\n1.735092 6.872268 0.604221\n1.732608 2.429330 9.080281\nCa Bi O\n1 4 8\ndirect\n0.675265 0.872184 0.789258 Ca\n0.390675 0.754304 0.476344 Bi\n0.903920 0.350279 0.853857 Bi\n0.135194 0.611545 0.130045 Bi\n0.668046 0.227351 0.448549 Bi\n0.062446 0.517237 0.369855 O\n0.558407 0.826189 0.068969 O\n0.511865 0.231460 0.756788 O\n0.860451 0.628628 0.662460 O\n0.839506 -0.030378 0.363348 O\n0.242508 0.624762 0.902193 O\n0.207507 0.002366 0.594606 O\n0.721808 0.393441 0.174934 O\n",
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{
"id": "jvasp-39921",
"created_at": "2022-09-04T14:37:43.427491Z",
"updated_at": "2022-09-04T14:37:43.427511Z",
"structure_string": "Ca1 Bi3\n1.0\n4.989708 0.000000 0.000000\n0.000000 4.989708 -0.000000\n-0.000000 -0.000000 4.989708\nCa Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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{
"id": "jvasp-38849",
"created_at": "2022-09-04T14:38:05.767131Z",
"updated_at": "2022-09-04T14:38:05.767162Z",
"structure_string": "Ca1 Bi1 Pd2\n1.0\n-0.000000 3.466947 3.466947\n3.466947 0.000000 3.466947\n3.466947 3.466947 -0.000000\nCa Bi Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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