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{
"id": "jvasp-114800",
"created_at": "2022-09-04T14:38:43.851033Z",
"updated_at": "2022-09-04T14:38:43.851061Z",
"structure_string": "Pd1 Se1 Cl1\n1.0\n0.000000 3.209912 3.209912\n3.209912 -0.000000 3.209912\n3.209912 3.209912 -0.000000\nPd Se Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Se\n0.500000 0.500000 0.500000 Cl\n",
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{
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"structure_string": "Pd1 Se1 Br2\n1.0\n4.075084 0.000000 0.000000\n0.000000 4.075084 0.000000\n0.000000 0.000000 5.605765\nPd Se Br\n1 1 2\ndirect\n0.499999 0.499999 0.502546 Pd\n0.000000 0.000000 0.002460 Se\n0.000000 0.000000 0.502436 Br\n0.499999 0.499999 0.002556 Br\n",
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{
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"created_at": "2022-09-04T14:38:46.814866Z",
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"structure_string": "Pd1 Se1 Br1\n1.0\n4.915887 -0.000000 -0.000000\n-2.457943 4.257283 0.000000\n0.000000 -0.000000 3.127681\nPd Se Br\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
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"volume": 65.45711556613824,
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"formula_full": "Pd1 Se1 Br1",
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{
"id": "jvasp-115716",
"created_at": "2022-09-04T14:38:46.761884Z",
"updated_at": "2022-09-04T14:38:46.761910Z",
"structure_string": "Pd1 Se1 Br1\n1.0\n2.903296 0.000000 -0.000000\n-0.000000 2.903296 0.000000\n-0.000000 -0.000000 8.492168\nPd Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.675966 Pd\n0.000000 0.000000 -0.045660 Se\n0.000000 0.000000 0.379950 Br\n",
"nsites": 3,
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"elements": [
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"density": 6.15402060533069,
"density_atomic": 0.04191023017375616,
"volume": 71.58156821287456,
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"formula_full": "Pd1 Se1 Br1",
"formula_reduced": "PdSeBr",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-3972",
"created_at": "2022-09-04T14:36:53.319544Z",
"updated_at": "2022-09-04T14:36:53.319563Z",
"structure_string": "Pd1 S2 Cl6\n1.0\n4.393363 -0.102256 -0.072886\n-0.370506 6.624165 -0.030336\n-1.074835 -2.029181 7.858940\nPd S Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.316610 0.245978 0.218698 S\n0.683389 0.754021 0.781301 S\n0.735836 0.804610 0.550267 Cl\n0.313791 0.140285 0.837927 Cl\n0.686208 0.859714 0.162072 Cl\n0.084297 0.504336 0.220308 Cl\n0.915703 0.495663 0.779691 Cl\n0.264164 0.195389 0.449732 Cl\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Cl-Pd-S",
"density": 2.796659584807342,
"density_atomic": 0.039548540225116224,
"volume": 227.56845003053587,
"volume_molar": 15.22721376243237,
"formula_full": "Pd1 S2 Cl6",
"formula_reduced": "Pd(SCl3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 2
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{
"id": "jvasp-115925",
"created_at": "2022-09-04T14:38:29.829510Z",
"updated_at": "2022-09-04T14:38:29.829543Z",
"structure_string": "Pd1 S1 Cl2\n1.0\n3.823987 -0.000000 -0.000000\n-0.000000 3.823987 0.000000\n-0.000000 0.000000 5.269068\nPd S Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502467 Pd\n0.000000 0.000000 0.002496 S\n0.000000 0.000000 0.502531 Cl\n0.500000 0.500000 0.002506 Cl\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.05191506158807117,
"volume": 77.04893103544163,
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"formula_full": "Pd1 S1 Cl2",
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{
"id": "jvasp-115922",
"created_at": "2022-09-04T14:38:47.711784Z",
"updated_at": "2022-09-04T14:38:47.711806Z",
"structure_string": "Pd1 S1 Cl1\n1.0\n4.624000 0.000000 0.000000\n-2.312000 4.004502 -0.000000\n-0.000000 -0.000000 2.968582\nPd S Cl\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 S\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"density": 5.254461079045903,
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"volume": 54.96869037970232,
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"formula_full": "Pd1 S1 Cl1",
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{
"id": "jvasp-106759",
"created_at": "2022-09-04T14:36:59.993222Z",
"updated_at": "2022-09-04T14:36:59.993247Z",
"structure_string": "Pd1 Rh1 Pb4\n1.0\n5.497155 0.010051 -1.534139\n-3.165717 4.494113 -1.534139\n-0.005203 -0.010051 5.707212\nPd Rh Pb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.499999 -0.000000 Rh\n0.913849 0.413848 0.827696 Pb\n0.586152 0.086151 0.172303 Pb\n0.086151 0.913848 0.499999 Pb\n0.413848 0.586151 0.500000 Pb\n",
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"volume": 141.00796002600842,
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"formula_full": "Pd1 Rh1 Pb4",
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"formula_anonymous": "ABC4",
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"spacegroup": 97
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{
"id": "jvasp-109070",
"created_at": "2022-09-04T14:37:49.608292Z",
"updated_at": "2022-09-04T14:37:49.608314Z",
"structure_string": "Pd1 Pt3\n1.0\n3.621311 -0.005836 -3.228468\n-0.731217 3.546724 -3.228468\n0.004763 0.005836 4.851482\nPd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Pd\n0.749999 0.249999 0.499998 Pt\n0.249999 0.749999 0.499998 Pt\n0.499999 0.499999 -0.000002 Pt\n",
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},
{
"id": "jvasp-2832",
"created_at": "2022-09-04T14:36:58.474322Z",
"updated_at": "2022-09-04T14:36:58.474350Z",
"structure_string": "Pd1 Pt1 F6\n1.0\n4.509842 0.006694 3.339407\n1.686206 4.182755 3.339407\n0.009900 0.006694 5.611615\nPd Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500001 0.499999 0.500000 Pt\n0.094033 0.434658 0.731641 F\n0.434660 0.731640 0.094033 F\n0.268360 0.905966 0.565341 F\n0.565342 0.268357 0.905968 F\n0.905969 0.565340 0.268359 F\n0.731642 0.094031 0.434659 F\n",
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{
"id": "jvasp-110184",
"created_at": "2022-09-04T14:38:27.662856Z",
"updated_at": "2022-09-04T14:38:27.662877Z",
"structure_string": "Pd1 Pt1 Au1\n1.0\n2.836683 0.000000 0.000000\n-1.418342 2.456640 0.000000\n-0.000000 -0.000000 7.007189\nPd Pt Au\n1 1 1\ndirect\n0.000000 0.000000 0.336522 Pd\n0.666666 0.333333 0.660242 Pt\n0.333333 0.666667 0.003236 Au\n",
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{
"id": "jvasp-100548",
"created_at": "2022-09-04T14:36:35.701889Z",
"updated_at": "2022-09-04T14:36:35.701915Z",
"structure_string": "Pd1 Pt1\n1.0\n2.671397 -0.000176 4.060780\n1.215807 2.378693 4.060780\n-0.000288 -0.000176 4.860688\nPd Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500002 0.499998 0.500001 Pt\n",
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