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{
"id": "jvasp-16900",
"created_at": "2022-09-04T14:37:54.053969Z",
"updated_at": "2022-09-04T14:37:54.053995Z",
"structure_string": "Sr4 Si2\n1.0\n2.699244 -4.675229 0.000000\n2.699244 4.675229 -0.000000\n0.000000 0.000000 7.437674\nSr Si\n4 2\ndirect\n0.666666 0.333332 0.250000 Sr\n0.333332 0.666666 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
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{
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"structure_string": "Sr2 Sc1 Os1 O6\n1.0\n4.933932 0.000000 2.848608\n1.644644 4.651756 2.848608\n-0.000000 -0.000000 5.697214\nSr Sc Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.499999 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Os\n0.756197 0.243802 0.243802 O\n0.243801 0.756199 0.756198 O\n0.243801 0.756199 0.243802 O\n0.756197 0.243802 0.756198 O\n0.243802 0.243802 0.756198 O\n0.756197 0.756199 0.243803 O\n",
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{
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"structure_string": "Sr4 Sc2 Ir2 O12\n1.0\n0.000000 5.695163 0.005457\n5.669969 0.000000 0.000000\n0.000000 -5.675597 -8.033133\nSr Sc Ir O\n4 2 2 12\ndirect\n0.746585 0.481531 0.249577 Sr\n0.253413 0.518469 0.750422 Sr\n0.253414 0.981532 0.250423 Sr\n0.746584 0.018469 0.749577 Sr\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n0.740743 0.719478 0.472603 O\n0.259256 0.219478 0.027397 O\n0.308783 0.730881 0.027417 O\n0.691216 0.230880 0.472582 O\n0.691215 0.269120 0.972582 O\n0.796562 0.005499 0.243829 O\n0.203436 0.994502 0.756170 O\n0.796562 0.494502 0.743829 O\n0.740742 0.780522 0.972603 O\n0.203436 0.505499 0.256170 O\n0.308782 0.769120 0.527417 O\n0.259255 0.280522 0.527397 O\n",
"nsites": 20,
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"density_atomic": 0.07715290849573397,
"volume": 259.22548339322634,
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"formula_full": "Sr4 Sc2 Ir2 O12",
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{
"id": "jvasp-108712",
"created_at": "2022-09-04T14:38:28.380921Z",
"updated_at": "2022-09-04T14:38:28.380949Z",
"structure_string": "Sr2 Sc1 Bi1 O6\n1.0\n5.092049 -0.000000 2.939896\n1.697350 4.800830 2.939896\n-0.000000 -0.000000 5.879791\nSr Sc Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Sc\n0.000000 0.000000 0.000000 Bi\n0.748042 0.251958 0.251959 O\n0.251958 0.748042 0.748042 O\n0.251958 0.748042 0.251959 O\n0.748042 0.251958 0.748042 O\n0.251958 0.251958 0.748042 O\n0.748042 0.748042 0.251959 O\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.069571154298357,
"volume": 143.73773298506507,
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"formula_full": "Sr2 Sc1 Bi1 O6",
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"spacegroup": 225
},
{
"id": "jvasp-71330",
"created_at": "2022-09-04T14:35:56.253333Z",
"updated_at": "2022-09-04T14:35:56.253356Z",
"structure_string": "Sr2 Sc1 Be1\n1.0\n3.587006 0.000000 -0.000000\n0.000000 3.587006 0.000000\n-0.000000 0.000000 9.544258\nSr Sc Be\n2 1 1\ndirect\n0.000000 0.000000 0.955814 Sr\n0.500001 0.500001 0.326846 Sr\n0.500001 0.500001 0.666104 Sc\n0.000000 0.000000 0.551236 Be\n",
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{
"id": "jvasp-98530",
"created_at": "2022-09-04T14:35:45.025281Z",
"updated_at": "2022-09-04T14:35:45.025307Z",
"structure_string": "Sr2 Sc2 B4 O11\n1.0\n5.114013 0.007506 0.055097\n1.594798 5.973182 1.327391\n-0.011479 0.034242 7.290310\nSr Sc B O\n2 2 4 11\ndirect\n0.774906 0.805763 0.836242 Sr\n0.225093 0.194236 0.163758 Sr\n0.813594 0.718208 0.352222 Sc\n0.186406 0.281792 0.647779 Sc\n0.277944 0.779573 0.608064 B\n0.647968 0.343096 0.898870 B\n0.352032 0.656904 0.101130 B\n0.722056 0.220427 0.391936 B\n0.910690 0.341899 0.867206 O\n0.175485 0.946857 0.706095 O\n0.889806 0.355758 0.420497 O\n0.489705 0.796203 0.151186 O\n0.089310 0.658100 0.132794 O\n0.538393 0.743540 0.555553 O\n0.461607 0.256460 0.444447 O\n0.824515 0.053143 0.293906 O\n0.110193 0.644242 0.579504 O\n0.500000 0.500000 0.000000 O\n0.510294 0.203797 0.848814 O\n",
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"density_atomic": 0.08543797396076973,
"volume": 222.38355053602007,
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"formula_full": "Sr2 Sc2 B4 O11",
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{
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"created_at": "2022-09-04T14:38:36.776775Z",
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"structure_string": "Sr8 Sb4 N12\n1.0\n6.538267 -0.015835 -0.000376\n-10.409610 5.284792 -0.000000\n0.000436 0.000859 12.413127\nSr Sb N\n8 4 12\ndirect\n0.499995 0.037571 0.855159 Sr\n0.500005 0.537576 0.644841 Sr\n0.500004 0.962428 0.144841 Sr\n0.499994 0.462423 0.355159 Sr\n0.500060 0.866824 0.575127 Sr\n0.499940 0.366764 0.924873 Sr\n0.499940 0.133175 0.424873 Sr\n0.500059 0.633234 0.075127 Sr\n0.499936 0.753687 0.340495 Sb\n0.500063 0.253750 0.159505 Sb\n0.500063 0.246312 0.659505 Sb\n0.499937 0.746249 0.840495 Sb\n0.000001 0.069351 0.750000 N\n0.000000 0.569437 0.750000 N\n-0.000000 0.430563 0.250000 N\n0.500193 0.075595 0.642164 N\n0.499807 0.575402 0.857836 N\n0.499806 0.924404 0.357836 N\n0.500192 0.424597 0.142164 N\n0.499922 0.153148 0.028190 N\n0.500077 0.653225 0.471810 N\n0.500078 0.846851 0.971810 N\n0.499922 0.346774 0.528190 N\n-0.000000 0.930649 0.250000 N\n",
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],
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"formula_full": "Sr8 Sb4 N12",
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{
"id": "jvasp-22729",
"created_at": "2022-09-04T14:35:58.417168Z",
"updated_at": "2022-09-04T14:35:58.417189Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n0.000000 3.930797 3.930797\n3.930797 0.000000 3.930797\n3.930797 3.930797 -0.000000\nSr Sb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sb\n0.249999 0.249999 0.249999 Au\n",
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{
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"created_at": "2022-09-04T14:38:27.542769Z",
"updated_at": "2022-09-04T14:38:27.542796Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n4.815598 -0.000000 2.780287\n1.605199 4.540189 2.780287\n-0.000000 -0.000000 5.560574\nSr Sb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:37:12.878882Z",
"updated_at": "2022-09-04T14:37:12.878913Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n-0.000000 3.930798 3.930798\n3.930798 -0.000000 3.930798\n3.930798 3.930798 0.000000\nSr Sb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.749999 0.749999 0.749999 Sb\n0.249999 0.249999 0.249999 Au\n",
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{
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"updated_at": "2022-09-04T14:37:03.211854Z",
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{
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"created_at": "2022-09-04T14:38:32.232585Z",
"updated_at": "2022-09-04T14:38:32.232616Z",
"structure_string": "Sr4 Sb2\n1.0\n4.820691 -0.000000 -1.331517\n-0.367776 4.806641 -1.331517\n0.046985 0.050718 9.562407\nSr Sb\n4 2\ndirect\n0.500000 0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.322189 0.322188 0.644377 Sr\n0.677811 0.677812 0.355623 Sr\n0.135041 0.135041 0.270082 Sb\n0.864959 0.864959 0.729918 Sb\n",
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}