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{
"id": "jvasp-87844",
"created_at": "2022-09-04T14:36:15.598439Z",
"updated_at": "2022-09-04T14:36:15.598466Z",
"structure_string": "Cd8 P16\n1.0\n5.345925 -0.000000 0.000000\n-0.000000 5.345925 -0.000000\n-0.000000 -0.000000 20.012140\nCd P\n8 16\ndirect\n0.151810 0.625207 0.047653 Cd\n0.125208 0.348189 0.797653 Cd\n0.651810 0.874791 0.702347 Cd\n0.348189 0.125208 0.202347 Cd\n0.848189 0.374792 0.547653 Cd\n0.625207 0.151810 0.952347 Cd\n0.374792 0.848189 0.452347 Cd\n0.874791 0.651810 0.297653 Cd\n0.714755 0.192317 0.434823 P\n0.285244 0.807682 0.934823 P\n0.192317 0.714755 0.565177 P\n0.692316 0.785244 0.184823 P\n0.021707 0.020771 0.374149 P\n0.214756 0.307683 0.315177 P\n0.807682 0.285244 0.065177 P\n0.979228 0.978292 0.125851 P\n0.521707 0.479228 0.375851 P\n0.478292 0.520771 0.875851 P\n0.479228 0.521707 0.624149 P\n0.520771 0.478292 0.124149 P\n0.020771 0.021707 0.625851 P\n0.978292 0.979228 0.874149 P\n0.785244 0.692316 0.815177 P\n0.307683 0.214756 0.684823 P\n",
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"spacegroup": 92
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{
"id": "jvasp-10188",
"created_at": "2022-09-04T14:37:10.598851Z",
"updated_at": "2022-09-04T14:37:10.598877Z",
"structure_string": "Cd2 P8\n1.0\n0.000000 5.316646 0.023512\n5.207470 0.000000 0.000000\n0.000000 -1.252357 -7.621710\nCd P\n2 8\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.397517 0.604225 0.099087 P\n0.602483 0.104225 0.400913 P\n0.260320 0.290017 0.251873 P\n0.739680 0.790017 0.248127 P\n0.739680 0.709983 0.748127 P\n0.260320 0.209983 0.751873 P\n0.397517 0.895775 0.599087 P\n0.602483 0.395775 0.900913 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"chemical_system": "Cd-P",
"density": 3.721797032646912,
"density_atomic": 0.04742406258365325,
"volume": 210.86341943734976,
"volume_molar": 12.698491929866401,
"formula_full": "Cd2 P8",
"formula_reduced": "CdP4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.2815967000000006,
"spacegroup": 14
},
{
"id": "jvasp-9151",
"created_at": "2022-09-04T14:38:18.178222Z",
"updated_at": "2022-09-04T14:38:18.178242Z",
"structure_string": "Cd4 P8\n1.0\n5.231048 0.000000 0.000000\n0.000000 5.464426 0.000000\n0.000000 0.000000 10.014865\nCd P\n4 8\ndirect\n0.247721 0.397378 0.346355 Cd\n0.747721 0.602622 0.653645 Cd\n0.247721 0.102622 0.846355 Cd\n0.747721 0.897379 0.153645 Cd\n0.597780 0.228389 0.506680 P\n0.097780 0.771612 0.493320 P\n0.597780 0.271611 0.006680 P\n0.097780 0.728389 0.993320 P\n0.401800 0.559563 0.120078 P\n0.901800 0.440438 0.879922 P\n0.401800 0.940438 0.620078 P\n0.901800 0.059563 0.379922 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"P"
],
"chemical_system": "Cd-P",
"density": 4.045515962615659,
"density_atomic": 0.04191822577389612,
"volume": 286.2716581738725,
"volume_molar": 14.366401842680538,
"formula_full": "Cd4 P8",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4404175,
"spacegroup": 33
},
{
"id": "jvasp-59712",
"created_at": "2022-09-04T14:37:28.288133Z",
"updated_at": "2022-09-04T14:37:28.288162Z",
"structure_string": "Cd6 P4\n1.0\n6.261223 0.000000 -0.000000\n0.000000 6.261223 -0.000000\n0.000000 0.000000 6.261223\nCd P\n6 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.250000 0.750000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 10,
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"elements": [
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"density": 5.40095950810827,
"density_atomic": 0.04074013692126978,
"volume": 245.45818339601993,
"volume_molar": 14.78183731104727,
"formula_full": "Cd6 P4",
"formula_reduced": "Cd3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.5886071,
"spacegroup": 224
},
{
"id": "jvasp-115855",
"created_at": "2022-09-04T14:38:48.827771Z",
"updated_at": "2022-09-04T14:38:48.827795Z",
"structure_string": "Cd1 P2\n1.0\n5.384769 0.000000 0.000000\n0.000000 5.129110 0.000000\n0.000000 0.000000 2.684379\nCd P\n1 2\ndirect\n0.000000 0.423984 0.000000 Cd\n0.207883 0.924008 0.000000 P\n0.792117 0.924008 0.000000 P\n",
"nsites": 3,
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"elements": [
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"density": 3.905164729912465,
"density_atomic": 0.04046395523968885,
"volume": 74.14005828717076,
"volume_molar": 14.882728898664894,
"formula_full": "Cd1 P2",
"formula_reduced": "CdP2",
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"spacegroup": 47
},
{
"id": "jvasp-106501",
"created_at": "2022-09-04T14:36:44.021899Z",
"updated_at": "2022-09-04T14:36:44.021909Z",
"structure_string": "Cd1 Pb3\n1.0\n4.396907 -0.122010 -4.206223\n-0.885994 4.308444 -4.206223\n0.102323 0.122010 6.083965\nCd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500001 Pb\n0.250000 0.749999 0.500001 Pb\n0.500001 0.500000 0.000001 Pb\n",
"nsites": 4,
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"elements": [
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"density": 10.224089408235821,
"density_atomic": 0.03355312417960974,
"volume": 119.21393604327324,
"volume_molar": 17.948077585155723,
"formula_full": "Cd1 Pb3",
"formula_reduced": "CdPb3",
"formula_anonymous": "AB3",
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"spacegroup": 139
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{
"id": "jvasp-109030",
"created_at": "2022-09-04T14:38:17.244126Z",
"updated_at": "2022-09-04T14:38:17.244152Z",
"structure_string": "Cd6 Pb2\n1.0\n6.471272 -0.000000 0.000000\n-3.235636 5.604287 0.000000\n-0.000000 -0.000000 5.654897\nCd Pb\n6 2\ndirect\n0.836316 0.163684 0.750000 Cd\n0.327368 0.163684 0.750000 Cd\n0.836316 0.672633 0.750000 Cd\n0.163683 0.836317 0.250000 Cd\n0.672632 0.836317 0.250000 Cd\n0.163684 0.327368 0.250000 Cd\n0.666666 0.333334 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Pb"
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"density": 8.816349807795275,
"density_atomic": 0.03900814208564874,
"volume": 205.08538915887598,
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"formula_full": "Cd6 Pb2",
"formula_reduced": "Cd3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-100154",
"created_at": "2022-09-04T14:36:53.583624Z",
"updated_at": "2022-09-04T14:36:53.583651Z",
"structure_string": "Cd1 Pd3\n1.0\n4.022728 -0.000000 0.000000\n0.000000 4.022728 -0.000000\n-0.000000 -0.000000 4.022728\nCd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.01133475184312,
"density_atomic": 0.06144661823842222,
"volume": 65.09715448422877,
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"formula_full": "Cd1 Pd3",
"formula_reduced": "CdPd3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-108616",
"created_at": "2022-09-04T14:38:20.009057Z",
"updated_at": "2022-09-04T14:38:20.009075Z",
"structure_string": "Cd3 Pd1\n1.0\n3.805657 -0.047642 -3.688183\n-0.715007 3.738189 -3.688183\n0.039898 0.047642 5.299446\nCd Pd\n3 1\ndirect\n0.750001 0.250000 0.500002 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 9.622279298157656,
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"formula_full": "Cd3 Pd1",
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},
{
"id": "jvasp-102466",
"created_at": "2022-09-04T14:36:52.941603Z",
"updated_at": "2022-09-04T14:36:52.941634Z",
"structure_string": "Cd3 Pd1\n1.0\n4.244278 0.000000 0.000000\n0.000000 4.244278 0.000000\n-0.000000 0.000000 4.244278\nCd Pd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-39901",
"created_at": "2022-09-04T14:37:46.366504Z",
"updated_at": "2022-09-04T14:37:46.366531Z",
"structure_string": "Cd1 Pd3\n1.0\n-2.019123 2.019123 3.993371\n2.019123 -2.019123 3.993371\n2.019123 2.019123 -3.993371\nCd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.250000 0.500001 Pd\n0.250000 0.750001 0.500001 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"formula_full": "Cd1 Pd3",
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{
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"created_at": "2022-09-04T14:37:41.889866Z",
"updated_at": "2022-09-04T14:37:41.889891Z",
"structure_string": "Cd2 Pd2\n1.0\n3.737457 0.000000 -0.000000\n0.000000 4.312833 0.000000\n0.000000 0.000000 4.312833\nCd Pd\n2 2\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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}