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{
"id": "jvasp-29762",
"created_at": "2022-09-04T14:38:03.792553Z",
"updated_at": "2022-09-04T14:38:03.792593Z",
"structure_string": "Cd1 C1 N2\n1.0\n3.385527 -0.000984 4.147135\n1.477128 3.046291 4.147135\n-0.001570 -0.000984 5.353552\nCd C N\n1 1 2\ndirect\n0.996471 0.996473 0.996466 Cd\n0.580090 0.580092 0.580088 C\n0.414495 0.414496 0.414493 N\n0.497946 0.497947 0.497943 N\n",
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{
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{
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"created_at": "2022-09-04T14:38:54.519530Z",
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"structure_string": "Cd1 C1 O1\n1.0\n4.007364 -0.000000 -0.000000\n-2.003682 3.470479 0.000000\n-0.000000 0.000000 2.901980\nCd C O\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 O\n",
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"density": 5.777485178582284,
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"volume": 40.35920735709497,
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"formula_full": "Cd1 C1 O1",
"formula_reduced": "CdCO",
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"spacegroup": 187
},
{
"id": "jvasp-120930",
"created_at": "2022-09-04T14:38:54.444230Z",
"updated_at": "2022-09-04T14:38:54.444248Z",
"structure_string": "Cd1 C1 O2\n1.0\n4.214313 0.000000 0.000000\n0.000000 4.214313 0.000000\n0.000000 0.000000 3.972780\nCd C O\n1 1 2\ndirect\n0.500000 0.500000 0.568422 Cd\n0.000000 0.000000 0.042977 C\n0.000000 0.000000 0.332382 O\n0.500000 0.500000 0.066220 O\n",
"nsites": 4,
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"density": 3.6812446055840296,
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"formula_full": "Cd1 C1 O2",
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"spacegroup": 99
},
{
"id": "jvasp-120927",
"created_at": "2022-09-04T14:38:54.389684Z",
"updated_at": "2022-09-04T14:38:54.389712Z",
"structure_string": "Cd1 C2 N1\n1.0\n2.671776 0.000000 -0.000000\n0.000000 2.671776 0.000000\n0.000000 -0.000000 5.285827\nCd C N\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Cd\n0.000000 0.500001 0.165098 C\n0.500001 0.000000 -0.165098 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
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"elements": [
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"density": 6.620591473214895,
"density_atomic": 0.10601003005185257,
"volume": 37.732278710264346,
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"formula_full": "Cd1 C2 N1",
"formula_reduced": "CdC2N",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-30067",
"created_at": "2022-09-04T14:38:12.182415Z",
"updated_at": "2022-09-04T14:38:12.182444Z",
"structure_string": "Cd1 Cl2\n1.0\n3.646641 2.210773 10.983263\n-1.093353 0.959878 3.588606\n-3.971855 -3.629548 -4.437616\nCd Cl\n1 2\ndirect\n0.012570 0.991851 0.015096 Cd\n0.679443 0.242906 0.932403 Cl\n0.345699 0.740795 0.097774 Cl\n",
"nsites": 3,
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"elements": [
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"density": 4.048675263885083,
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"volume": 75.18633138776535,
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"formula_full": "Cd1 Cl2",
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"formula_anonymous": "AB2",
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"spacegroup": 164
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{
"id": "jvasp-110738",
"created_at": "2022-09-04T14:38:43.131300Z",
"updated_at": "2022-09-04T14:38:43.131326Z",
"structure_string": "Cd1 Cl2\n1.0\n4.058771 -0.000000 0.000000\n0.000000 4.058771 0.000000\n0.000000 0.000000 5.179633\nCd Cl\n1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 0.215870 Cl\n0.500000 0.000000 0.784130 Cl\n",
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"volume": 85.32731629839921,
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"formula_full": "Cd1 Cl2",
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{
"id": "jvasp-1933",
"created_at": "2022-09-04T14:36:36.030608Z",
"updated_at": "2022-09-04T14:36:36.030624Z",
"structure_string": "Cd1 Cl2\n1.0\n3.673988 -0.005572 5.035921\n1.637727 3.288779 5.035921\n-0.009016 -0.005572 6.233666\nCd Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749684 0.749686 0.749684 Cl\n0.250315 0.250316 0.250315 Cl\n",
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},
{
"id": "jvasp-29886",
"created_at": "2022-09-04T14:37:31.073392Z",
"updated_at": "2022-09-04T14:37:31.073411Z",
"structure_string": "Cd1 Cl2\n1.0\n0.298710 3.561655 11.216591\n-2.162111 2.379147 3.999554\n-1.361020 -4.260149 -4.789507\nCd Cl\n1 2\ndirect\n0.837900 -0.001916 0.667031 Cd\n0.837293 0.214257 0.165986 Cl\n0.337665 0.781275 0.165731 Cl\n",
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"formula_full": "Cd1 Cl2",
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"spacegroup": 115
},
{
"id": "jvasp-100482",
"created_at": "2022-09-04T14:36:34.555495Z",
"updated_at": "2022-09-04T14:36:34.555521Z",
"structure_string": "Cd1 Co1 Cu3 Se4\n1.0\n5.790920 0.000000 -0.000000\n0.000000 5.790920 0.000000\n-0.000000 0.000000 5.790920\nCd Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.236332 0.236332 0.236332 Se\n0.763668 0.763668 0.236332 Se\n0.236332 0.763668 0.763668 Se\n0.763668 0.236332 0.763668 Se\n",
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],
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"density": 5.7959173934964685,
"density_atomic": 0.046344672071599924,
"volume": 194.1970802187467,
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"formula_full": "Cd1 Co1 Cu3 Se4",
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"formula_anonymous": "ABC3D4",
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{
"id": "jvasp-75796",
"created_at": "2022-09-04T14:35:48.425485Z",
"updated_at": "2022-09-04T14:35:48.425518Z",
"structure_string": "Cd1 Co2 As1\n1.0\n-0.000000 3.110883 3.110883\n3.110883 0.000000 3.110883\n3.110883 3.110883 -0.000000\nCd Co As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 As\n",
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{
"id": "jvasp-105569",
"created_at": "2022-09-04T14:38:48.481182Z",
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"structure_string": "Cd1 Co2 N2\n1.0\n2.911539 -0.005823 1.039255\n-1.635302 2.622751 -0.000000\n0.223842 0.139567 8.609301\nCd Co N\n1 2 2\ndirect\n-0.000000 0.000001 0.500000 Cd\n0.523752 0.261877 0.106707 Co\n0.476249 0.738125 0.893292 Co\n0.876098 0.438050 0.843524 N\n0.123903 0.561952 0.156475 N\n",
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