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{
"id": "jvasp-120061",
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"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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{
"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",
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{
"id": "jvasp-120062",
"created_at": "2022-09-04T14:38:53.491476Z",
"updated_at": "2022-09-04T14:38:53.491510Z",
"structure_string": "Ca2 Br2\n1.0\n3.764562 0.000000 0.000000\n0.000000 3.764562 -0.000000\n0.000000 0.000000 8.775869\nCa Br\n2 2\ndirect\n0.000000 0.000000 0.175554 Ca\n0.500000 0.500000 0.824446 Ca\n0.000000 0.000000 0.660609 Br\n0.500000 0.500000 0.339392 Br\n",
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"elements": [
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"formula_full": "Ca2 Br2",
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{
"id": "jvasp-120945",
"created_at": "2022-09-04T14:38:53.530344Z",
"updated_at": "2022-09-04T14:38:53.530368Z",
"structure_string": "Ca2 Br1\n1.0\n3.688687 0.000000 0.000000\n0.000000 3.756475 0.000000\n0.000000 0.000000 8.335285\nCa Br\n2 1\ndirect\n-0.033349 0.000000 0.714825 Ca\n-0.033349 0.000000 0.285176 Ca\n0.466698 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"volume": 115.4975473447809,
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"formula_full": "Ca2 Br1",
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"spacegroup": 47
},
{
"id": "jvasp-117971",
"created_at": "2022-09-04T14:38:52.226270Z",
"updated_at": "2022-09-04T14:38:52.226284Z",
"structure_string": "Ca1 C3\n1.0\n4.731413 -0.541143 -0.035440\n-2.389266 -2.967442 0.128146\n-0.020834 3.120038 -3.609384\nCa C\n1 3\ndirect\n0.992215 0.967511 -0.065326 Ca\n0.285304 0.054409 0.521664 C\n0.402765 0.877619 0.639001 C\n0.285278 0.465883 0.639155 C\n",
"nsites": 4,
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"elements": [
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"density": 2.35267195556819,
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"volume": 53.71925912310623,
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"formula_full": "Ca1 C3",
"formula_reduced": "CaC3",
"formula_anonymous": "AB3",
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"spacegroup": 155
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{
"id": "jvasp-117955",
"created_at": "2022-09-04T14:38:53.960865Z",
"updated_at": "2022-09-04T14:38:53.960895Z",
"structure_string": "Ca2 C2\n1.0\n5.182627 0.106237 0.496392\n2.648209 -2.563289 0.213297\n0.730929 0.096513 -6.178347\nCa C\n2 2\ndirect\n0.115706 0.133131 0.919685 Ca\n0.615674 0.133377 0.419674 Ca\n0.114858 0.133390 0.523243 C\n0.116453 0.133407 0.316123 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"formula_full": "Ca2 C2",
"formula_reduced": "CaC",
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"spacegroup": 123
},
{
"id": "jvasp-117961",
"created_at": "2022-09-04T14:38:53.251912Z",
"updated_at": "2022-09-04T14:38:53.251947Z",
"structure_string": "Ca1 C1\n1.0\n3.381135 -0.000000 -0.000000\n-0.000000 3.381135 -0.000000\n0.000000 0.000000 4.650167\nCa C\n1 1\ndirect\n0.000000 0.000000 0.749997 Ca\n0.000000 0.000000 0.250004 C\n",
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"elements": [
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"volume": 53.16105273658558,
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"spacegroup": 123
},
{
"id": "jvasp-36375",
"created_at": "2022-09-04T14:37:14.292514Z",
"updated_at": "2022-09-04T14:37:14.292538Z",
"structure_string": "Ca1 C2\n1.0\n1.382678 -2.394868 -0.000000\n1.382678 2.394868 0.000000\n0.000000 -0.000000 4.194984\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.500000 C\n0.666668 0.333334 0.500000 C\n",
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"elements": [
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"volume": 27.781963615067074,
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{
"id": "jvasp-36373",
"created_at": "2022-09-04T14:37:18.552688Z",
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"structure_string": "Ca1 C2\n1.0\n2.398884 1.384997 2.152067\n-2.398884 1.384997 2.152067\n0.000000 -2.769993 2.152067\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.597624 0.597624 0.597622 C\n0.402379 0.402379 0.402377 C\n",
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},
{
"id": "jvasp-8195",
"created_at": "2022-09-04T14:37:51.446730Z",
"updated_at": "2022-09-04T14:37:51.446753Z",
"structure_string": "Ca2 C4\n1.0\n3.812333 0.000000 0.000000\n-1.906167 3.403787 -1.074783\n0.000000 0.071092 7.414763\nCa C\n2 4\ndirect\n0.797280 0.594562 0.753334 Ca\n0.202719 0.405438 0.246666 Ca\n0.079449 0.158899 0.564612 C\n0.920550 0.841102 0.435388 C\n0.452280 0.904561 0.058886 C\n0.547719 0.095439 0.941114 C\n",
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"spacegroup": 12
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{
"id": "jvasp-7816",
"created_at": "2022-09-04T14:36:39.640245Z",
"updated_at": "2022-09-04T14:36:39.640264Z",
"structure_string": "Ca2 C4\n1.0\n3.764017 0.006832 0.966895\n1.476924 3.462161 0.966895\n-0.043238 -0.028620 7.359972\nCa C\n2 4\ndirect\n0.824850 0.175151 0.249999 Ca\n0.175150 0.824848 0.749999 Ca\n0.141894 0.423071 0.439781 C\n0.576929 0.858105 0.060218 C\n0.423071 0.141894 0.939781 C\n0.858106 0.576928 0.560218 C\n",
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{
"id": "jvasp-117969",
"created_at": "2022-09-04T14:38:47.807523Z",
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"structure_string": "Ca2 C1\n1.0\n3.622229 0.000000 0.573100\n0.000000 3.618801 0.000000\n0.738963 0.000000 7.023448\nCa C\n2 1\ndirect\n0.082269 0.000000 -0.098414 Ca\n-0.148931 0.000000 0.365080 Ca\n0.466662 0.000000 0.133333 C\n",
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