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{
"id": "jvasp-120709",
"created_at": "2022-09-04T14:38:51.832157Z",
"updated_at": "2022-09-04T14:38:51.832183Z",
"structure_string": "Sr1 Mn7 O12\n1.0\n6.060915 -0.000000 -2.142857\n-3.030458 5.248907 -2.142857\n-0.000000 -0.000000 6.428571\nSr Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.311233 0.820054 0.131286 O\n0.688768 0.179947 0.868714 O\n0.491180 0.311233 0.179946 O\n0.508821 0.688768 0.820053 O\n0.131286 0.311233 0.820053 O\n0.820054 0.131286 0.311232 O\n0.179947 0.491180 0.311232 O\n0.820054 0.508821 0.688767 O\n0.688768 0.820054 0.508820 O\n0.179947 0.868715 0.688767 O\n0.868715 0.688768 0.179946 O\n0.311233 0.179947 0.491179 O\n",
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{
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"created_at": "2022-09-04T14:36:15.926429Z",
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"structure_string": "Sr1 Mo1 O3\n1.0\n-2.822338 -2.822338 -0.000000\n-2.822338 2.822338 0.000000\n0.000000 0.000000 -3.991661\nSr Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Sr1 Mo1 O3",
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{
"id": "jvasp-7851",
"created_at": "2022-09-04T14:37:02.973524Z",
"updated_at": "2022-09-04T14:37:02.973536Z",
"structure_string": "Sr1 Mo1 O3\n1.0\n3.991484 0.000000 0.000000\n-0.000000 3.991484 -0.000000\n-0.000000 0.000000 3.991484\nSr Mo O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n0.499999 0.000000 0.000000 O\n",
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"volume": 63.592101649472454,
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"formula_full": "Sr1 Mo1 O3",
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"spacegroup": 221
},
{
"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",
"nsites": 15,
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"elements": [
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"chemical_system": "Mo-S-Sr",
"density": 5.300999775745695,
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"volume": 288.121238877528,
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"formula_full": "Sr1 Mo6 S8",
"formula_reduced": "Sr(Mo3S4)2",
"formula_anonymous": "AB6C8",
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{
"id": "jvasp-87101",
"created_at": "2022-09-04T14:36:01.217692Z",
"updated_at": "2022-09-04T14:36:01.217722Z",
"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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"formula_full": "Sr1 Mo6 S8",
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{
"id": "jvasp-78406",
"created_at": "2022-09-04T14:37:14.311789Z",
"updated_at": "2022-09-04T14:37:14.311807Z",
"structure_string": "Sr1 N1\n1.0\n-2.677171 -2.677171 0.000000\n-2.677171 0.000000 -2.677171\n-0.000000 -2.677171 -2.677171\nSr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 N\n",
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"density": 4.397426502359885,
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"volume": 38.37587858923294,
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"formula_full": "Sr1 N1",
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{
"id": "jvasp-118098",
"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",
"nsites": 3,
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"volume": 110.39714791312473,
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"formula_full": "Sr1 N1 Cl1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-118096",
"created_at": "2022-09-04T14:38:52.856290Z",
"updated_at": "2022-09-04T14:38:52.856316Z",
"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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"density": 2.0399836575131123,
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"formula_full": "Sr1 N1 Cl1",
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"spacegroup": 38
},
{
"id": "jvasp-116046",
"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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},
{
"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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{
"id": "jvasp-16257",
"created_at": "2022-09-04T14:38:31.994130Z",
"updated_at": "2022-09-04T14:38:31.994157Z",
"structure_string": "Sr1 N2\n1.0\n3.386913 -0.000000 -1.756880\n-0.911340 3.261999 -1.756880\n0.002737 0.003606 4.148362\nSr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.599461 0.599462 0.198922 N\n0.400539 0.400539 0.801078 N\n",
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"volume": 45.87446284733821,
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},
{
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"created_at": "2022-09-04T14:38:39.679205Z",
"updated_at": "2022-09-04T14:38:39.679226Z",
"structure_string": "Sr1 Nb1 N1 O2\n1.0\n4.080223 0.000000 -0.000000\n0.000000 4.080223 -0.000000\n-0.000000 -0.000000 4.107939\nSr Nb N O\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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