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{
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{
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"structure_string": "Sr4 N8 O24\n1.0\n7.776440 0.000000 0.000000\n0.000000 7.776440 0.000000\n0.000000 0.000000 7.776440\nSr N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.843541 0.156459 0.656459 N\n0.156459 0.656459 0.843541 N\n0.656459 0.656459 0.656459 N\n0.656459 0.843541 0.156459 N\n0.156459 0.843541 0.343541 N\n0.343541 0.156459 0.843541 N\n0.343541 0.343541 0.343541 N\n0.843541 0.343541 0.156459 N\n0.781573 0.023664 0.727778 O\n0.281573 0.023664 0.772222 O\n0.023664 0.772222 0.281573 O\n0.781573 0.476336 0.227778 O\n0.718427 0.523664 0.727778 O\n0.523664 0.727778 0.718427 O\n0.727778 0.718427 0.523664 O\n0.227778 0.718427 0.976336 O\n0.727778 0.781573 0.023664 O\n0.772222 0.218427 0.523664 O\n0.523664 0.772222 0.218427 O\n0.476336 0.272222 0.281573 O\n0.718427 0.976336 0.227778 O\n0.976336 0.227778 0.718427 O\n0.218427 0.523664 0.772222 O\n0.281573 0.476336 0.272222 O\n0.976336 0.272222 0.218427 O\n0.272222 0.281573 0.476336 O\n0.272222 0.218427 0.976336 O\n0.227778 0.781573 0.476336 O\n0.218427 0.976336 0.272222 O\n0.772222 0.281573 0.023664 O\n0.023664 0.727778 0.781573 O\n0.476336 0.227778 0.781573 O\n",
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"volume": 470.264804444706,
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"formula_full": "Sr4 N8 O24",
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{
"id": "jvasp-116048",
"created_at": "2022-09-04T14:38:40.686948Z",
"updated_at": "2022-09-04T14:38:40.686981Z",
"structure_string": "Sr1 N1 F2\n1.0\n3.673363 0.000000 0.000000\n0.000000 3.673363 0.000000\n0.000000 0.000000 4.776491\nSr N F\n1 1 2\ndirect\n0.499999 0.499999 0.502670 Sr\n0.000000 0.000000 0.002274 N\n0.000000 0.000000 0.502322 F\n0.499999 0.499999 0.002734 F\n",
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"elements": [
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"formula_full": "Sr1 N1 F2",
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"spacegroup": 123
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{
"id": "jvasp-116050",
"created_at": "2022-09-04T14:38:40.941441Z",
"updated_at": "2022-09-04T14:38:40.941463Z",
"structure_string": "Sr2 N1 F1\n1.0\n1.885029 1.088322 6.133539\n-1.885029 1.088322 6.133539\n-0.000000 -2.176644 6.133539\nSr N F\n2 1 1\ndirect\n0.758673 0.758673 0.758673 Sr\n0.241327 0.241327 0.241327 Sr\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:40.988811Z",
"updated_at": "2022-09-04T14:38:40.988830Z",
"structure_string": "Sr1 N1 F1\n1.0\n4.117042 -1.482714 0.000000\n-0.769898 4.307587 0.000000\n0.000000 0.000000 4.746315\nSr N F\n1 1 1\ndirect\n0.055685 0.420084 0.000000 Sr\n0.389067 0.086665 0.000000 N\n-0.277605 -0.246701 0.000000 F\n",
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"formula_full": "Sr1 N1 F1",
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},
{
"id": "jvasp-118099",
"created_at": "2022-09-04T14:38:37.212068Z",
"updated_at": "2022-09-04T14:38:37.212088Z",
"structure_string": "Sr2 N1 Cl1\n1.0\n1.941098 1.120694 7.032493\n-1.941098 1.120694 7.032493\n-0.000000 -2.241387 7.032493\nSr N Cl\n2 1 1\ndirect\n0.769471 0.769471 0.769472 Sr\n0.230528 0.230528 0.230528 Sr\n0.499999 0.499999 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
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"formula_full": "Sr2 N1 Cl1",
"formula_reduced": "Sr2NCl",
"formula_anonymous": "ABC2",
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{
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"created_at": "2022-09-04T14:35:44.810044Z",
"updated_at": "2022-09-04T14:35:44.810062Z",
"structure_string": "Sr2 N1 Cl1\n1.0\n3.764677 0.011392 6.346890\n1.749431 3.333530 6.346890\n0.018780 0.011392 7.379394\nSr N Cl\n2 1 1\ndirect\n0.769376 0.769375 0.769376 Sr\n0.230624 0.230624 0.230624 Sr\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:50.575115Z",
"updated_at": "2022-09-04T14:38:50.575142Z",
"structure_string": "Sr1 N1 Cl1\n1.0\n4.093384 -0.000000 -0.000000\n0.000000 4.093384 0.000000\n0.000000 0.000000 6.588596\nSr N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.681764 Sr\n0.000000 0.000000 0.014201 N\n0.000000 0.000000 0.263084 Cl\n",
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{
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"created_at": "2022-09-04T14:38:52.856290Z",
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"structure_string": "Sr1 N1 Cl1\n1.0\n5.293755 -1.420732 0.000000\n-0.811887 4.589257 0.000000\n0.000000 0.000000 4.821862\nSr N Cl\n1 1 1\ndirect\n0.141002 0.477871 0.000000 Sr\n0.315664 0.064869 0.000000 N\n-0.255967 -0.220537 0.000000 Cl\n",
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},
{
"id": "jvasp-57709",
"created_at": "2022-09-04T14:38:32.125258Z",
"updated_at": "2022-09-04T14:38:32.125285Z",
"structure_string": "Sr1 Mo6 S8\n1.0\n6.604856 0.004857 0.120291\n0.118209 6.603801 0.120291\n0.004940 0.004857 6.605950\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.769797 0.582108 0.437103 Mo\n0.437104 0.769797 0.582107 Mo\n0.582108 0.437104 0.769796 Mo\n0.417893 0.562897 0.230203 Mo\n0.562897 0.230204 0.417892 Mo\n0.230204 0.417893 0.562896 Mo\n0.754641 0.754641 0.754640 S\n0.875422 0.257346 0.616709 S\n0.257346 0.616710 0.875421 S\n0.616710 0.875422 0.257346 S\n0.124579 0.742655 0.383291 S\n0.742655 0.383291 0.124579 S\n0.245360 0.245360 0.245360 S\n0.383291 0.124579 0.742654 S\n",
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],
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"density": 5.300999775745695,
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},
{
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"created_at": "2022-09-04T14:36:01.217692Z",
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"structure_string": "Sr1 Mo6 S8\n1.0\n6.604880 -0.042952 0.101854\n0.166315 6.603058 0.105754\n0.024172 0.018570 6.605994\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.562898 0.417871 0.230213 Mo\n0.582125 0.769813 0.437082 Mo\n0.417875 0.230187 0.562916 Mo\n0.769794 0.437117 0.582100 Mo\n0.230207 0.562884 0.417898 Mo\n0.437103 0.582129 0.769785 Mo\n0.257345 0.875429 0.616708 S\n0.742656 0.124572 0.383291 S\n0.616671 0.257356 0.875423 S\n0.383330 0.742644 0.124575 S\n0.754655 0.754700 0.754583 S\n0.245346 0.245301 0.245415 S\n0.875452 0.616680 0.257323 S\n0.124548 0.383320 0.742675 S\n",
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}
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}