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{
"id": "jvasp-101216",
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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": "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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{
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"created_at": "2022-09-04T14:37:35.452022Z",
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"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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"density_atomic": 0.05962670885256319,
"volume": 67.08403125,
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"formula_full": "Cd1 In1 Rh2",
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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",
"nsites": 4,
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"volume": 88.05944473090949,
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"formula_full": "Cd1 In1 S2",
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"formula_anonymous": "ABC2",
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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",
"nsites": 4,
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"formula_full": "Cd1 In1 S2",
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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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"volume": 80.33337205305799,
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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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"formula_full": "Cd1 In2 Se4",
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"formula_anonymous": "AB2C4",
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},
{
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"created_at": "2022-09-04T14:35:47.639778Z",
"updated_at": "2022-09-04T14:35:47.639809Z",
"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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"formula_full": "Cd1 In2 Se4",
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},
{
"id": "jvasp-22637",
"created_at": "2022-09-04T14:36:44.679715Z",
"updated_at": "2022-09-04T14:36:44.679739Z",
"structure_string": "Cd1 In2 Se4\n1.0\n5.859546 0.000000 0.000000\n0.000000 5.859546 0.000000\n0.000000 -0.000000 5.987832\nCd In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.723590 0.276410 0.770082 Se\n0.276410 0.276410 0.229918 Se\n0.276410 0.723590 0.770082 Se\n0.723590 0.723590 0.229918 Se\n",
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"spacegroup": 111
},
{
"id": "jvasp-3486",
"created_at": "2022-09-04T14:36:54.707818Z",
"updated_at": "2022-09-04T14:36:54.707836Z",
"structure_string": "Cd1 In2 Te4\n1.0\n5.779153 0.000001 -2.586017\n-1.157174 5.662116 -2.586016\n-0.007075 -0.008669 7.734736\nCd In Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 In\n0.250000 0.750000 0.500000 In\n0.417720 0.362809 0.277151 Te\n0.085658 0.582280 0.722849 Te\n0.637190 0.140569 0.722848 Te\n0.859431 0.914343 0.277151 Te\n",
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{
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"structure_string": "Cd1 In3\n1.0\n4.620668 -0.000000 2.667744\n1.540223 4.356407 2.667744\n-0.000000 -0.000000 5.335488\nCd In\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.749999 In\n0.500000 0.500000 0.499999 In\n",
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