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{
"id": "jvasp-117971",
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"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",
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{
"id": "jvasp-117961",
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"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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{
"id": "jvasp-117970",
"created_at": "2022-09-04T14:38:49.198922Z",
"updated_at": "2022-09-04T14:38:49.198947Z",
"structure_string": "Ca3 C1\n1.0\n3.713701 -0.603095 0.608089\n-0.791062 -5.066492 -0.193146\n-0.475778 2.908732 -6.088443\nCa C\n3 1\ndirect\n0.115892 0.103693 0.062150 Ca\n0.478058 0.465178 0.785259 Ca\n0.753768 0.742216 0.339065 Ca\n0.115919 0.603688 0.062170 C\n",
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{
"id": "jvasp-117960",
"created_at": "2022-09-04T14:38:49.145821Z",
"updated_at": "2022-09-04T14:38:49.145845Z",
"structure_string": "Ca2 C1\n1.0\n3.656004 0.000000 0.000000\n0.000000 3.634265 0.000000\n0.000000 0.000000 7.078529\nCa C\n2 1\ndirect\n-0.033343 0.000000 0.776968 Ca\n-0.033343 0.000000 0.223032 Ca\n0.466686 0.000000 0.000000 C\n",
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"elements": [
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"chemical_system": "C-Ca",
"density": 1.6272596885127857,
"density_atomic": 0.03189737801402549,
"volume": 94.05161761825313,
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"formula_full": "Ca2 C1",
"formula_reduced": "Ca2C",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-22667",
"created_at": "2022-09-04T14:37:09.132627Z",
"updated_at": "2022-09-04T14:37:09.132645Z",
"structure_string": "Ca2 Br4\n1.0\n4.305822 0.000000 0.000000\n0.000000 6.505609 -0.000000\n0.000000 -0.000000 6.913668\nCa Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.245147 0.844166 Br\n0.000000 0.745147 0.655834 Br\n0.000000 0.254853 0.344166 Br\n0.500000 0.754853 0.155834 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Br-Ca",
"density": 3.427748264812632,
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"volume": 193.6656289924785,
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"formula_full": "Ca2 Br4",
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"spacegroup": 58
},
{
"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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"volume": 87.50322219952895,
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"formula_full": "Ca1 Br1",
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"spacegroup": 187
},
{
"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",
"nsites": 4,
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"volume": 124.37097528453917,
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"formula_full": "Ca2 Br2",
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"spacegroup": 129
},
{
"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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"density": 2.3012253429640146,
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"volume": 115.4975473447809,
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"formula_full": "Ca2 Br1",
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"spacegroup": 47
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{
"id": "jvasp-120947",
"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",
"nsites": 3,
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"elements": [
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"density": 0.3958730215779469,
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"volume": 838.4469104345199,
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"formula_full": "Ca1 Br2",
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"spacegroup": 123
},
{
"id": "jvasp-120942",
"created_at": "2022-09-04T14:38:51.101023Z",
"updated_at": "2022-09-04T14:38:51.101057Z",
"structure_string": "Ca2 Br1\n1.0\n5.596199 0.000000 1.781338\n0.000000 3.768932 0.000000\n2.512786 0.000000 6.800056\nCa Br\n2 1\ndirect\n-0.032258 0.000000 -0.034183 Ca\n-0.034410 0.000000 0.466901 Ca\n0.466668 0.000000 -0.032718 Br\n",
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{
"id": "jvasp-3516",
"created_at": "2022-09-04T14:36:34.117079Z",
"updated_at": "2022-09-04T14:36:34.117097Z",
"structure_string": "Ca2 Br4\n1.0\n4.305629 0.000000 0.000000\n0.000000 6.505502 -0.000000\n0.000000 0.000000 6.914732\nCa Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.254942 0.344074 Br\n0.000000 0.745058 0.655925 Br\n0.500000 0.754942 0.155926 Br\n0.500000 0.245058 0.844074 Br\n",
"nsites": 6,
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{
"id": "jvasp-120944",
"created_at": "2022-09-04T14:38:54.550053Z",
"updated_at": "2022-09-04T14:38:54.550075Z",
"structure_string": "Ca2 Br1\n1.0\n5.908811 -0.000000 0.000000\n-2.954405 5.117180 -0.000000\n-0.000000 -0.000000 3.757838\nCa Br\n2 1\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 Br\n",
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}