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{
"id": "jvasp-106373",
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{
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"structure_string": "Cd1 In1 As1 Se1\n1.0\n4.188443 0.005838 6.338534\n1.909387 3.727913 6.338534\n0.009534 0.005838 7.597367\nCd In As Se\n1 1 1 1\ndirect\n0.002572 0.002572 0.002572 Cd\n0.498294 0.498295 0.498294 In\n0.125792 0.125792 0.125792 As\n0.623341 0.623342 0.623342 Se\n",
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{
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"structure_string": "Cd2 In2 Ga2 S8\n1.0\n3.897464 0.000000 -0.000000\n-1.948732 3.375303 -0.000000\n-0.000000 -0.000000 25.214967\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 -0.000000 0.242096 Cd\n0.000000 -0.000000 0.757904 Cd\n0.666666 0.333333 0.394228 In\n0.333333 0.666666 0.605772 In\n0.666666 0.333333 0.902262 Ga\n0.333333 0.666666 0.097738 Ga\n0.666666 0.333333 0.559786 S\n0.333333 0.666666 0.700943 S\n0.666666 0.333333 0.060798 S\n0.333333 0.666666 0.440214 S\n0.666666 0.333333 0.814546 S\n0.666666 0.333333 0.299057 S\n0.333333 0.666666 0.185454 S\n0.333333 0.666666 0.939202 S\n",
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"density_atomic": 0.04220605434004049,
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"formula_full": "Cd2 In2 Ga2 S8",
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"spacegroup": 164
},
{
"id": "jvasp-29780",
"created_at": "2022-09-04T14:38:05.660127Z",
"updated_at": "2022-09-04T14:38:05.660149Z",
"structure_string": "Cd1 In1 Ga1 S4\n1.0\n4.028362 -0.000000 0.000000\n-2.014181 3.488663 -0.000000\n0.000000 0.000000 12.608231\nCd In Ga S\n1 1 1 4\ndirect\n0.000000 0.000000 0.543468 Cd\n0.333333 0.666666 0.830229 In\n0.333333 0.666666 0.261077 Ga\n0.000000 0.000000 0.343172 S\n0.666667 0.333333 0.905393 S\n0.333333 0.666666 0.626809 S\n0.333333 0.666666 0.094852 S\n",
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"density_atomic": 0.03950539178226099,
"volume": 177.19100315676891,
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"formula_full": "Cd1 In1 Ga1 S4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 156
},
{
"id": "jvasp-41882",
"created_at": "2022-09-04T14:37:35.452022Z",
"updated_at": "2022-09-04T14:37:35.452045Z",
"structure_string": "Cd1 In1 Pd2\n1.0\n0.000000 3.280387 3.280387\n3.280387 0.000000 3.280387\n3.280387 3.280387 0.000000\nCd In Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"formula_full": "Cd1 In1 Pd2",
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{
"id": "jvasp-79080",
"created_at": "2022-09-04T14:37:12.084807Z",
"updated_at": "2022-09-04T14:37:12.084837Z",
"structure_string": "Cd1 In1 Rh2\n1.0\n0.000000 3.225000 3.225000\n3.225000 0.000000 3.225000\n3.225000 3.225000 0.000000\nCd In Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
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"formula_full": "Cd1 In1 Rh2",
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{
"id": "jvasp-17732",
"created_at": "2022-09-04T14:38:15.545187Z",
"updated_at": "2022-09-04T14:38:15.545225Z",
"structure_string": "Cd1 In1 S2\n1.0\n1.930827 -3.344290 -0.000000\n1.930827 3.344290 -0.000000\n0.000000 0.000000 6.818654\nCd In S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 In\n0.666668 0.333334 0.758310 S\n0.333334 0.666668 0.241689 S\n",
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{
"id": "jvasp-14309",
"created_at": "2022-09-04T14:37:02.559056Z",
"updated_at": "2022-09-04T14:37:02.559082Z",
"structure_string": "Cd1 In1 S2\n1.0\n1.930827 -3.344290 -0.000000\n1.930827 3.344290 -0.000000\n0.000000 0.000000 6.818654\nCd In S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 In\n0.666668 0.333334 0.758310 S\n0.333334 0.666668 0.241689 S\n",
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"formula_full": "Cd1 In1 S2",
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"spacegroup": 164
},
{
"id": "jvasp-24262",
"created_at": "2022-09-04T14:38:02.596555Z",
"updated_at": "2022-09-04T14:38:02.596574Z",
"structure_string": "Cd2 In4 S8\n1.0\n6.728180 0.000000 3.884517\n2.242726 6.343390 3.884517\n-0.000000 -0.000000 7.769034\nCd In S\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.875000 Cd\n0.500000 0.500000 0.000000 In\n0.500000 -0.000000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.740597 0.740596 0.278212 S\n0.278212 0.740596 0.740596 S\n0.740597 0.740596 0.740596 S\n0.259404 0.721788 0.259404 S\n0.740597 0.278212 0.740596 S\n0.721788 0.259404 0.259404 S\n0.259404 0.259404 0.259404 S\n0.259404 0.259404 0.721788 S\n",
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"formula_full": "Cd2 In4 S8",
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{
"id": "jvasp-120960",
"created_at": "2022-09-04T14:38:49.782333Z",
"updated_at": "2022-09-04T14:38:49.782353Z",
"structure_string": "Cd1 In1 Se1\n1.0\n8.366464 2.559470 0.000000\n1.855258 3.636260 0.000000\n0.000000 0.000000 3.128958\nCd In Se\n1 1 1\ndirect\n0.449677 0.129548 0.000000 Cd\n-0.185214 0.079825 0.000000 In\n0.138126 0.096335 0.000000 Se\n",
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{
"id": "jvasp-22645",
"created_at": "2022-09-04T14:35:53.670084Z",
"updated_at": "2022-09-04T14:35:53.670107Z",
"structure_string": "Cd1 In2 Se4\n1.0\n5.341766 0.000000 -2.383699\n-1.063698 5.234789 -2.383699\n0.033391 0.040858 7.252011\nCd In Se\n1 2 4\ndirect\n0.500000 0.500000 -0.000000 Cd\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.334638 0.334638 0.228508 Se\n0.665363 0.106129 0.771492 Se\n0.893871 0.893871 0.228508 Se\n0.106129 0.665363 0.771492 Se\n",
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{
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"structure_string": "Cd1 In2 Se4\n1.0\n5.406660 0.000000 -2.412657\n-1.076620 5.298382 -2.412657\n-0.031225 -0.038208 7.194399\nCd In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000001 In\n0.249999 0.749999 0.499999 In\n0.860680 0.908800 0.277125 Se\n0.631673 0.139319 0.722874 Se\n0.091199 0.583554 0.722874 Se\n0.416445 0.368326 0.277125 Se\n",
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