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{
"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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{
"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",
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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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"elements": [
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"density_atomic": 0.052116070654891454,
"volume": 38.37587858923294,
"volume_molar": 11.555247132651548,
"formula_full": "Sr1 N1",
"formula_reduced": "SrN",
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"spacegroup": 225
},
{
"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,
"nelements": 3,
"elements": [
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"Mo",
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],
"chemical_system": "Mo-S-Sr",
"density": 5.300999775745695,
"density_atomic": 0.05206141712578178,
"volume": 288.121238877528,
"volume_molar": 11.567377709773721,
"formula_full": "Sr1 Mo6 S8",
"formula_reduced": "Sr(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.117514780666667,
"spacegroup": 148
},
{
"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",
"nsites": 15,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mo-S-Sr",
"density": 5.300995747869039,
"density_atomic": 0.052061377567778455,
"volume": 288.12145780183346,
"volume_molar": 11.567386499060277,
"formula_full": "Sr1 Mo6 S8",
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"formula_anonymous": "AB6C8",
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"spacegroup": 148
},
{
"id": "jvasp-93220",
"created_at": "2022-09-04T14:36:15.926429Z",
"updated_at": "2022-09-04T14:36:15.926474Z",
"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",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mo-O-Sr",
"density": 6.046548902116835,
"density_atomic": 0.07862638553364695,
"volume": 63.59188415014101,
"volume_molar": 7.659185550915243,
"formula_full": "Sr1 Mo1 O3",
"formula_reduced": "SrMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.162462542,
"spacegroup": 221
},
{
"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",
"nsites": 5,
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"elements": [
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],
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"density": 6.046528221555733,
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"volume": 63.592101649472454,
"volume_molar": 7.659211747147026,
"formula_full": "Sr1 Mo1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"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",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mn-O-Sr",
"density": 5.392781153994922,
"density_atomic": 0.09779315993233452,
"volume": 204.51328102945533,
"volume_molar": 6.158038828244087,
"formula_full": "Sr1 Mn7 O12",
"formula_reduced": "SrMn7O12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 3.5684484499827587,
"spacegroup": 204
},
{
"id": "jvasp-51162",
"created_at": "2022-09-04T14:36:54.504591Z",
"updated_at": "2022-09-04T14:36:54.504600Z",
"structure_string": "Sr1 Mn2 Si1\n1.0\n-0.000000 3.430100 3.430100\n3.430100 -0.000000 3.430100\n3.430100 3.430100 0.000000\nSr Mn Si\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Si-Sr",
"density": 4.640902139130846,
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"volume": 80.714273145802,
"volume_molar": 12.15181785562769,
"formula_full": "Sr1 Mn2 Si1",
"formula_reduced": "SrMn2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.903169848189655,
"spacegroup": 216
},
{
"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",
"nsites": 5,
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"elements": [
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],
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"density": 5.418794071734434,
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"volume": 135.14528080410722,
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"formula_full": "Sr1 Mn2 Sb2",
"formula_reduced": "Sr(MnSb)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-14398",
"created_at": "2022-09-04T14:37:26.967180Z",
"updated_at": "2022-09-04T14:37:26.967200Z",
"structure_string": "Sr1 Mn2 P2\n1.0\n1.922656 -3.330138 0.000000\n1.922656 3.330138 -0.000000\n0.000000 -0.000000 7.114373\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.611896 Mn\n0.333334 0.666668 0.388103 Mn\n0.666668 0.333334 0.293041 P\n0.333334 0.666668 0.706959 P\n",
"nsites": 5,
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],
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"density": 4.728916412121197,
"density_atomic": 0.054883216909531386,
"volume": 91.10253154879605,
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"formula_full": "Sr1 Mn2 P2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-15605",
"created_at": "2022-09-04T14:35:42.736782Z",
"updated_at": "2022-09-04T14:35:42.736811Z",
"structure_string": "Sr1 Mn2 P2\n1.0\n1.922656 -3.330138 0.000000\n1.922656 3.330138 -0.000000\n0.000000 -0.000000 7.114373\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.611896 Mn\n0.333334 0.666668 0.388103 Mn\n0.666668 0.333334 0.293041 P\n0.333334 0.666668 0.706959 P\n",
"nsites": 5,
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"elements": [
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"volume": 91.10253154879605,
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"formula_full": "Sr1 Mn2 P2",
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}
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}