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"id": "jvasp-4050",
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{
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"structure_string": "Y2 Se1 O2\n1.0\n-1.914039 1.914039 6.033974\n1.914039 -1.914039 6.033974\n1.914039 1.914039 -6.033974\nY Se O\n2 1 2\ndirect\n0.343810 0.343810 0.000000 Y\n0.656189 0.656189 0.000000 Y\n0.000000 0.000000 0.000000 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"structure_string": "La4 Co4 I2\n1.0\n4.038111 0.000000 0.000000\n-2.019056 3.497107 0.000000\n-0.000000 -0.000000 17.924223\nLa Co I\n4 4 2\ndirect\n0.000000 0.000000 0.104647 La\n0.000000 0.000000 0.895353 La\n0.000000 0.000000 0.604647 La\n0.000000 0.000000 0.395353 La\n0.333333 0.666667 0.499710 Co\n0.666666 0.333334 0.500290 Co\n0.666666 0.333334 0.999710 Co\n0.333333 0.666667 0.000290 Co\n0.333333 0.666667 0.250000 I\n0.666666 0.333334 0.750000 I\n",
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"formula_full": "La4 Co4 I2",
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"spacegroup": 194
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{
"id": "jvasp-14906",
"created_at": "2022-09-04T14:36:53.586065Z",
"updated_at": "2022-09-04T14:36:53.586082Z",
"structure_string": "Ca1 Al2 Si2\n1.0\n2.085112 -3.611520 0.000000\n2.085112 3.611520 -0.000000\n-0.000000 0.000000 7.083326\nCa Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.368119 Al\n0.666666 0.333332 0.631882 Al\n0.333332 0.666666 0.737730 Si\n0.666666 0.333332 0.262270 Si\n",
"nsites": 5,
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"elements": [
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},
{
"id": "jvasp-2466",
"created_at": "2022-09-04T14:36:49.166095Z",
"updated_at": "2022-09-04T14:36:49.166107Z",
"structure_string": "Ca1 Mg2 N2\n1.0\n1.771303 -3.067986 0.000000\n1.771303 3.067986 0.000000\n0.000000 0.000000 6.079305\nCa Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.858950 Mg\n0.666666 0.333332 0.141049 Mg\n0.333332 0.666666 0.233668 N\n0.666666 0.333332 0.766331 N\n",
"nsites": 5,
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"formula_full": "Ca1 Mg2 N2",
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{
"id": "jvasp-10138",
"created_at": "2022-09-04T14:37:11.736419Z",
"updated_at": "2022-09-04T14:37:11.736430Z",
"structure_string": "K4 P4 Pd2\n1.0\n5.902471 -0.000000 -0.000000\n0.000000 5.723043 -2.616919\n-0.000000 0.069534 7.718498\nK P Pd\n4 4 2\ndirect\n0.750000 0.790260 0.580520 K\n0.750000 0.420550 0.841100 K\n0.250000 0.209739 0.419480 K\n0.250000 0.579449 0.158899 K\n0.750000 0.287776 0.226743 P\n0.250000 0.061034 0.773257 P\n0.250000 0.712223 0.773257 P\n0.750000 0.938964 0.226742 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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"volume": 261.80564054086886,
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"formula_full": "K4 P4 Pd2",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-16038",
"created_at": "2022-09-04T14:36:59.721547Z",
"updated_at": "2022-09-04T14:36:59.721559Z",
"structure_string": "Li1 Ni2 P2\n1.0\n3.544967 0.000000 -1.342102\n-0.508111 3.508363 -1.342102\n-0.011222 -0.012965 5.323166\nLi Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250001 0.750000 0.500001 Ni\n0.750001 0.250000 0.500001 Ni\n0.381753 0.381753 0.763505 P\n0.618249 0.618248 0.236497 P\n",
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"volume": 66.08101619272723,
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"spacegroup": 139
},
{
"id": "jvasp-7912",
"created_at": "2022-09-04T14:37:04.908477Z",
"updated_at": "2022-09-04T14:37:04.908506Z",
"structure_string": "Sr1 Ge2 Ru2\n1.0\n4.049549 0.000000 -1.561560\n-0.602159 4.004528 -1.561560\n-0.002462 -0.002860 6.025183\nSr Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.639551 0.639551 0.279103 Ge\n0.360449 0.360449 0.720897 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
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"volume": 97.67140461607613,
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"formula_full": "Sr1 Ge2 Ru2",
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"spacegroup": 139
},
{
"id": "jvasp-7913",
"created_at": "2022-09-04T14:37:04.300118Z",
"updated_at": "2022-09-04T14:37:04.300141Z",
"structure_string": "Ca1 Ge2 Ru2\n1.0\n3.985359 -0.000000 -1.560382\n-0.610934 3.938254 -1.560382\n-0.004589 -0.005357 5.857955\nCa Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.367882 0.367881 0.735764 Ge\n0.632119 0.632117 0.264237 Ge\n0.250000 0.749999 0.500001 Ru\n0.750000 0.249999 0.500001 Ru\n",
"nsites": 5,
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"volume": 91.87606880015373,
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"formula_full": "Ca1 Ge2 Ru2",
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},
{
"id": "jvasp-15112",
"created_at": "2022-09-04T14:37:03.494763Z",
"updated_at": "2022-09-04T14:37:03.494777Z",
"structure_string": "Sr1 Mn2 Sb2\n1.0\n2.221383 -3.847547 -0.000000\n2.221383 3.847547 0.000000\n-0.000000 -0.000000 7.906122\nSr Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.611566 Mn\n0.666666 0.333332 0.388434 Mn\n0.333332 0.666666 0.269530 Sb\n0.666666 0.333332 0.730470 Sb\n",
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{
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"created_at": "2022-09-04T14:37:00.975006Z",
"updated_at": "2022-09-04T14:37:00.975015Z",
"structure_string": "Sm1 Si2 Cu2\n1.0\n3.797971 -0.000000 -1.426959\n-0.536131 3.759940 -1.426959\n-0.004211 -0.004854 5.756583\nSm Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.619654 0.619654 0.239307 Si\n0.380346 0.380347 0.760692 Si\n0.250000 0.750001 0.500000 Cu\n0.750000 0.250001 0.500000 Cu\n",
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{
"id": "jvasp-15257",
"created_at": "2022-09-04T14:37:00.959639Z",
"updated_at": "2022-09-04T14:37:00.959659Z",
"structure_string": "Tb1 Co2 Ge2\n1.0\n3.724343 -0.000000 -1.370993\n-0.504686 3.689989 -1.370993\n0.012085 0.013850 5.776967\nTb Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500001 Co\n0.750000 0.250000 0.500001 Co\n0.628479 0.628480 0.256959 Ge\n0.371521 0.371521 0.743042 Ge\n",
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