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{
"id": "jvasp-123655",
"created_at": "2022-09-04T14:38:55.147309Z",
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{
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{
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"structure_string": "Cr1 Se2\n1.0\n3.264278 -0.000002 0.000065\n-1.632141 2.826950 -0.000000\n0.000003 0.000001 6.290648\nCr Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.666676 0.333338 0.752503 Se\n0.333325 0.666662 0.247498 Se\n",
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"elements": [
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"volume": 58.0497690302511,
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"formula_full": "Cr1 Se2",
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{
"id": "jvasp-31826",
"created_at": "2022-09-04T14:37:59.102949Z",
"updated_at": "2022-09-04T14:37:59.102978Z",
"structure_string": "Cr1 Si1 H12 O6 F6\n1.0\n6.279703 -0.019343 -0.021728\n-0.670556 6.243828 -0.021728\n-0.670556 -0.744118 6.199366\nCr Si H O F\n1 1 12 6 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.500000 0.500000 Si\n0.422603 0.192834 0.062127 H\n0.821592 0.324845 0.225159 H\n0.937871 0.577397 0.807166 H\n0.807165 0.937873 0.577396 H\n0.774840 0.178408 0.675155 H\n0.675154 0.774842 0.178407 H\n0.324844 0.225159 0.821593 H\n0.225158 0.821593 0.324845 H\n0.577395 0.807167 0.937873 H\n0.062127 0.422604 0.192834 H\n0.178407 0.675155 0.774841 H\n0.192833 0.062128 0.422604 H\n0.938510 0.314401 0.133441 O\n0.061489 0.685599 0.866559 O\n0.133440 0.938511 0.314400 O\n0.314400 0.133441 0.938511 O\n0.685599 0.866560 0.061489 O\n0.866558 0.061490 0.685599 O\n0.292775 0.328890 0.569410 F\n0.707223 0.671111 0.430590 F\n0.671109 0.430591 0.707224 F\n0.569409 0.292776 0.328890 F\n0.430590 0.707224 0.671110 F\n0.328889 0.569410 0.292776 F\n",
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"elements": [
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"density": 2.06662582443724,
"density_atomic": 0.10708874127065832,
"volume": 242.78929504164267,
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"formula_full": "Cr1 Si1 H12 O6 F6",
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{
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"created_at": "2022-09-04T14:37:47.609269Z",
"updated_at": "2022-09-04T14:37:47.609288Z",
"structure_string": "Cr1 Si1 Ru2\n1.0\n-0.000000 2.964196 2.964196\n2.964196 0.000000 2.964196\n2.964196 2.964196 0.000000\nCr Si Ru\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Cr\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
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"elements": [
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"formula_full": "Cr1 Si1 Ru2",
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{
"id": "jvasp-16107",
"created_at": "2022-09-04T14:36:47.608325Z",
"updated_at": "2022-09-04T14:36:47.608353Z",
"structure_string": "Cr1 Si2\n1.0\n2.898512 0.000000 -1.104509\n-0.420884 2.867792 -1.104509\n0.006002 0.006947 4.371222\nCr Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.662626 0.662626 0.325251 Si\n0.337374 0.337375 0.674748 Si\n",
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"density": 4.9372751748587325,
"density_atomic": 0.08246398234988635,
"volume": 36.37951884583142,
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{
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"updated_at": "2022-09-04T14:35:46.601890Z",
"structure_string": "Cr1 Si2 As1\n1.0\n0.000000 3.177204 3.177204\n3.177204 -0.000000 3.177204\n3.177204 3.177204 0.000000\nCr Si As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Cr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.499999 0.499999 0.499999 As\n",
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"elements": [
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"density": 4.7396398349648345,
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"formula_full": "Cr1 Si2 As1",
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},
{
"id": "jvasp-35718",
"created_at": "2022-09-04T14:37:30.228820Z",
"updated_at": "2022-09-04T14:37:30.228841Z",
"structure_string": "Cr1 Sn1 Rh2\n1.0\n-2.915765 -2.915765 0.000000\n-2.915765 2.915765 0.000000\n2.915765 0.000000 -3.612541\nCr Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.499999 0.000000 Sn\n0.749999 0.250000 0.500000 Rh\n0.250000 0.749999 0.500000 Rh\n",
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"formula_full": "Cr1 Sn1 Rh2",
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{
"id": "jvasp-102275",
"created_at": "2022-09-04T14:36:48.077216Z",
"updated_at": "2022-09-04T14:36:48.077244Z",
"structure_string": "Cr1 Sn1 Rh2\n1.0\n3.823444 -0.000000 2.207466\n1.274481 3.604778 2.207466\n-0.000000 -0.000000 4.414933\nCr Sn Rh\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Cr\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n0.749999 0.750000 0.750001 Rh\n",
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},
{
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"created_at": "2022-09-04T14:37:08.180536Z",
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"structure_string": "Cr1 Sn1 Rh2\n1.0\n-7.342965 0.007803 -4.226408\n-5.108845 0.179577 0.383618\n-4.231392 2.661555 -1.136288\nCr Sn Rh\n1 1 2\ndirect\n0.828281 0.171705 0.171705 Cr\n0.320165 0.179845 0.179845 Sn\n0.919422 0.824210 0.824212 Rh\n0.432131 0.824236 0.824239 Rh\n",
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{
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"structure_string": "Cr1 Sn1 Ru2\n1.0\n-9.043483 0.000000 -5.221257\n-5.834034 0.122646 -0.337671\n-5.016988 2.433601 -1.752836\nCr Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 -0.000001 -0.000000 Sn\n0.784941 -0.000001 -0.000000 Ru\n0.215060 -0.000000 -0.000000 Ru\n",
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{
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"structure_string": "Cr1 Sn7\n1.0\n6.538258 0.000000 0.000000\n-0.000000 6.538258 0.000000\n0.000000 -0.000000 6.538258\nCr Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Cr\n0.239931 0.239931 0.739931 Sn\n0.000000 0.500000 0.000000 Sn\n0.239931 0.760069 0.260069 Sn\n0.500000 0.000000 0.000000 Sn\n0.760069 0.239931 0.260069 Sn\n0.500000 0.500000 0.500000 Sn\n0.760069 0.760069 0.739931 Sn\n",
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