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{
"id": "jvasp-114742",
"created_at": "2022-09-04T14:38:42.925373Z",
"updated_at": "2022-09-04T14:38:42.925397Z",
"structure_string": "Cd1 F2\n1.0\n3.663162 -0.190933 -0.508219\n1.294420 -3.506592 -0.359254\n0.899141 -0.843430 -3.298421\nCd F\n1 2\ndirect\n0.079340 0.077161 0.082943 Cd\n0.816378 0.812789 0.827951 F\n0.342318 0.341520 0.337921 F\n",
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{
"id": "jvasp-114749",
"created_at": "2022-09-04T14:38:41.105162Z",
"updated_at": "2022-09-04T14:38:41.105179Z",
"structure_string": "Cd2 F1\n1.0\n3.053731 0.000000 0.173021\n0.000000 2.992262 0.000000\n-0.378252 0.000000 6.769420\nCd F\n2 1\ndirect\n-0.032500 0.000000 -0.145062 Cd\n-0.034112 0.000000 0.411699 Cd\n0.466613 0.000000 0.133362 F\n",
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"spacegroup": 47
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{
"id": "jvasp-114744",
"created_at": "2022-09-04T14:38:42.498946Z",
"updated_at": "2022-09-04T14:38:42.498969Z",
"structure_string": "Cd2 F1\n1.0\n3.083993 0.000000 0.000000\n0.000000 2.931910 0.000000\n0.000000 0.000000 6.893811\nCd F\n2 1\ndirect\n-0.033257 0.000000 0.726185 Cd\n-0.033257 0.000000 0.273815 Cd\n0.466514 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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"formula_full": "Cd2 F1",
"formula_reduced": "Cd2F",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-114747",
"created_at": "2022-09-04T14:38:41.893261Z",
"updated_at": "2022-09-04T14:38:41.893288Z",
"structure_string": "Cd1 F2\n1.0\n3.487733 0.000000 0.000000\n0.000000 3.357818 0.000000\n0.000000 0.000000 4.635259\nCd F\n1 2\ndirect\n0.466667 0.000000 0.000000 Cd\n-0.033334 0.000000 0.739308 F\n-0.033334 0.000000 0.260693 F\n",
"nsites": 3,
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"elements": [
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"density": 4.600924277234323,
"density_atomic": 0.05526457893979652,
"volume": 54.28431841067865,
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"formula_full": "Cd1 F2",
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"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-114751",
"created_at": "2022-09-04T14:38:43.436932Z",
"updated_at": "2022-09-04T14:38:43.436963Z",
"structure_string": "Cd1 F3\n1.0\n3.704973 0.215835 0.252793\n0.432929 -4.453833 0.527126\n-1.622875 0.596565 -3.593014\nCd F\n1 3\ndirect\n0.830466 0.565697 0.139812 Cd\n0.887666 0.083379 0.232187 F\n0.178581 0.317421 0.806935 F\n0.522038 0.677821 0.533883 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "Cd-F",
"density": 4.977660386109764,
"density_atomic": 0.07077939251876886,
"volume": 56.513624342555694,
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"formula_full": "Cd1 F3",
"formula_reduced": "CdF3",
"formula_anonymous": "AB3",
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"spacegroup": 1
},
{
"id": "jvasp-114746",
"created_at": "2022-09-04T14:38:43.398437Z",
"updated_at": "2022-09-04T14:38:43.398473Z",
"structure_string": "Cd2 F2\n1.0\n3.285941 0.000000 0.000000\n0.000000 3.285941 -0.000000\n0.000000 0.000000 5.516873\nCd F\n2 2\ndirect\n0.000000 0.000000 0.199485 Cd\n0.500000 0.500000 0.800510 Cd\n0.000000 0.000000 0.627574 F\n0.500000 0.500000 0.372429 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-F",
"density": 7.3264405010806115,
"density_atomic": 0.06715022655626764,
"volume": 59.56793007464023,
"volume_molar": 8.968161492283018,
"formula_full": "Cd2 F2",
"formula_reduced": "CdF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-1245",
"created_at": "2022-09-04T14:35:47.121068Z",
"updated_at": "2022-09-04T14:35:47.121107Z",
"structure_string": "Cd1 F2\n1.0\n3.333099 0.000000 1.924366\n1.111033 3.142476 1.924366\n0.000000 0.000000 3.848731\nCd F\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.750001 0.750001 F\n0.250000 0.250000 0.250000 F\n",
"nsites": 3,
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"elements": [
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"density": 6.195576646643331,
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"volume": 40.31231517152234,
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"formula_full": "Cd1 F2",
"formula_reduced": "CdF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108617",
"created_at": "2022-09-04T14:38:20.408722Z",
"updated_at": "2022-09-04T14:38:20.408753Z",
"structure_string": "Cd3 Ga1\n1.0\n3.987658 -0.153907 -3.722762\n-0.856653 3.897595 -3.722762\n0.128719 0.153907 5.453788\nCd Ga\n3 1\ndirect\n0.750001 0.250000 0.500001 Cd\n0.250001 0.750001 0.500002 Cd\n0.500001 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
"chemical_system": "Cd-Ga",
"density": 7.613217235596229,
"density_atomic": 0.04506419941719756,
"volume": 88.76225588673181,
"volume_molar": 13.36346997812594,
"formula_full": "Cd3 Ga1",
"formula_reduced": "Cd3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-111379",
"created_at": "2022-09-04T14:38:26.256947Z",
"updated_at": "2022-09-04T14:38:26.256969Z",
"structure_string": "Cd3 Hg1\n1.0\n3.112140 -0.000000 0.000000\n-1.556070 2.695192 0.000000\n-0.000000 -0.000000 11.212629\nCd Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666666 0.753258 Cd\n0.333333 0.666666 0.246742 Cd\n0.000000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Cd-Hg",
"density": 9.495813608229495,
"density_atomic": 0.042530814932974954,
"volume": 94.04945581935519,
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"formula_full": "Cd3 Hg1",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-107905",
"created_at": "2022-09-04T14:37:50.091350Z",
"updated_at": "2022-09-04T14:37:50.091373Z",
"structure_string": "Cd1 Hg3\n1.0\n4.252899 0.204860 -4.523990\n-0.521454 4.225778 -4.523990\n-0.172531 -0.204860 6.206760\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.250000 0.500001 Hg\n0.250001 0.750000 0.500001 Hg\n0.500001 0.500000 0.000001 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 11.332682269460385,
"density_atomic": 0.038223928017480945,
"volume": 104.64649258890087,
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"formula_full": "Cd1 Hg3",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.00092,
"spacegroup": 139
},
{
"id": "jvasp-103593",
"created_at": "2022-09-04T14:36:35.701325Z",
"updated_at": "2022-09-04T14:36:35.701351Z",
"structure_string": "Cd2 Hg6\n1.0\n6.752628 0.000000 0.000000\n-3.376313 5.847948 0.000000\n-0.000000 0.000000 5.327964\nCd Hg\n2 6\ndirect\n0.333334 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n0.168260 0.336520 0.250000 Hg\n0.663481 0.831741 0.250000 Hg\n0.168260 0.831741 0.250000 Hg\n0.831741 0.663480 0.749999 Hg\n0.336520 0.168259 0.749999 Hg\n0.831741 0.168259 0.749999 Hg\n",
"nsites": 8,
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"formula_full": "Cd2 Hg6",
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"spacegroup": 194
},
{
"id": "jvasp-104841",
"created_at": "2022-09-04T14:36:40.891764Z",
"updated_at": "2022-09-04T14:36:40.891786Z",
"structure_string": "Cd1 Hg3\n1.0\n4.595493 -0.000000 2.653209\n1.531831 4.332672 2.653209\n-0.000000 -0.000000 5.306418\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n0.500000 0.500000 0.500001 Hg\n",
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}