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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=979",
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{
"id": "jvasp-65011",
"created_at": "2022-09-04T14:35:49.892344Z",
"updated_at": "2022-09-04T14:35:49.892370Z",
"structure_string": "Sr1 Mg4 Be1\n1.0\n0.000000 4.242342 4.242342\n4.242342 0.000000 4.242342\n4.242342 4.242342 -0.000000\nSr Mg Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.122625 0.625792 0.625792 Mg\n0.625792 0.625792 0.625792 Mg\n0.625792 0.122625 0.625792 Mg\n0.625792 0.625792 0.122625 Mg\n0.000000 0.000000 0.000000 Be\n",
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"elements": [
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"density": 2.1080104805516666,
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"volume": 152.7028087983757,
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"formula_full": "Sr1 Mg4 Be1",
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"spacegroup": 216
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{
"id": "jvasp-105396",
"created_at": "2022-09-04T14:37:02.261354Z",
"updated_at": "2022-09-04T14:37:02.261371Z",
"structure_string": "Sr1 Mg3 O4\n1.0\n3.280579 -0.000000 0.000000\n0.000000 3.280579 0.000000\n-0.000000 -0.000000 8.914675\nSr Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.727455 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.272544 Mg\n0.000000 0.000000 0.275543 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.724456 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Mg-O-Sr",
"density": 3.88617171906242,
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"volume": 95.94150258373656,
"volume_molar": 7.222165416064566,
"formula_full": "Sr1 Mg3 O4",
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{
"id": "jvasp-78791",
"created_at": "2022-09-04T14:37:10.875742Z",
"updated_at": "2022-09-04T14:37:10.875774Z",
"structure_string": "Sr1 Mg3\n1.0\n7.291263 0.043623 0.000000\n-1.803926 3.124492 0.000000\n0.000000 0.000000 5.297683\nSr Mg\n1 3\ndirect\n0.162185 0.662185 0.250000 Sr\n0.657965 0.657965 0.250000 Mg\n0.383665 0.383665 0.750000 Mg\n0.796182 0.296182 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Sr",
"density": 2.2011675946366656,
"density_atomic": 0.03302891231403376,
"volume": 121.10601650967561,
"volume_molar": 18.232936957603762,
"formula_full": "Sr1 Mg3",
"formula_reduced": "SrMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1310807352941176,
"spacegroup": 25
},
{
"id": "jvasp-80489",
"created_at": "2022-09-04T14:37:17.933936Z",
"updated_at": "2022-09-04T14:37:17.933946Z",
"structure_string": "Sr1 Mg3\n1.0\n4.943900 0.000000 0.000000\n0.000000 4.943900 0.000000\n0.000000 0.000000 4.943900\nSr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 2.20602178397835,
"density_atomic": 0.03310175029080248,
"volume": 120.83953159151902,
"volume_molar": 18.19281671541486,
"formula_full": "Sr1 Mg3",
"formula_reduced": "SrMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1184907352941176,
"spacegroup": 221
},
{
"id": "jvasp-2997",
"created_at": "2022-09-04T14:36:57.038322Z",
"updated_at": "2022-09-04T14:36:57.038354Z",
"structure_string": "Sr1 Mg2 Sb2\n1.0\n2.363196 -4.093175 0.000000\n2.363196 4.093175 0.000000\n0.000000 0.000000 7.834092\nSr Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.371677 Mg\n0.333334 0.666668 0.628322 Mg\n0.333334 0.666668 0.255519 Sb\n0.666668 0.333334 0.744481 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sb-Sr",
"density": 4.160716844982006,
"density_atomic": 0.03299068138465267,
"volume": 151.55794879477722,
"volume_molar": 18.254066018780414,
"formula_full": "Sr1 Mg2 Sb2",
"formula_reduced": "Sr(MgSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0354293219999998,
"spacegroup": 164
},
{
"id": "jvasp-3114",
"created_at": "2022-09-04T14:37:40.102679Z",
"updated_at": "2022-09-04T14:37:40.102703Z",
"structure_string": "Sr1 Mg2 N2\n1.0\n1.812359 -3.139099 0.000000\n1.812359 3.139099 0.000000\n0.000000 0.000000 6.370894\nSr Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.868605 Mg\n0.666667 0.333333 0.131394 Mg\n0.333333 0.666667 0.219908 N\n0.666667 0.333333 0.780091 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"N"
],
"chemical_system": "Mg-N-Sr",
"density": 3.7623345253148957,
"density_atomic": 0.06897479017569037,
"volume": 72.49025313834461,
"volume_molar": 8.73093016254286,
"formula_full": "Sr1 Mg2 N2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5261101819999996,
"spacegroup": 164
},
{
"id": "jvasp-105940",
"created_at": "2022-09-04T14:35:59.407476Z",
"updated_at": "2022-09-04T14:35:59.407502Z",
"structure_string": "Sr1 Mg2 In2\n1.0\n4.404243 -0.032732 -5.696026\n-0.539420 4.371208 -5.696026\n0.029158 0.032732 7.200084\nSr Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Mg\n0.250000 0.750000 0.499999 Mg\n0.388465 0.388465 -0.000000 In\n0.611535 0.611536 -0.000001 In\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mg",
"In"
],
"chemical_system": "In-Mg-Sr",
"density": 4.335167013020908,
"density_atomic": 0.03567834395590555,
"volume": 140.14103362475123,
"volume_molar": 16.8789806148029,
"formula_full": "Sr1 Mg2 In2",
"formula_reduced": "Sr(MgIn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-53811",
"created_at": "2022-09-04T14:36:01.398085Z",
"updated_at": "2022-09-04T14:36:01.398117Z",
"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 -0.000000\n2.241091 3.881685 0.000000\n0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"H"
],
"chemical_system": "Fe-H-Mg-Sr",
"density": 2.9175936933092386,
"density_atomic": 0.10534799542437932,
"volume": 113.90819494627988,
"volume_molar": 5.71642653070015,
"formula_full": "Sr1 Mg2 Fe1 H8",
"formula_reduced": "SrMg2FeH8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.1741558258333336,
"spacegroup": 164
},
{
"id": "jvasp-51711",
"created_at": "2022-09-04T14:38:15.062141Z",
"updated_at": "2022-09-04T14:38:15.062167Z",
"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 0.000000\n2.241091 3.881685 0.000000\n-0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Mg",
"Fe",
"H"
],
"chemical_system": "Fe-H-Mg-Sr",
"density": 2.9175936933092386,
"density_atomic": 0.10534799542437932,
"volume": 113.90819494627988,
"volume_molar": 5.71642653070015,
"formula_full": "Sr1 Mg2 Fe1 H8",
"formula_reduced": "SrMg2FeH8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.1741558258333336,
"spacegroup": 164
},
{
"id": "jvasp-92668",
"created_at": "2022-09-04T14:35:55.718264Z",
"updated_at": "2022-09-04T14:35:55.718283Z",
"structure_string": "Sr1 Mg2 Bi2\n1.0\n-2.416776 -4.186009 0.000001\n-2.416802 4.186023 -0.000000\n0.000001 0.000000 -7.979820\nSr Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333337 0.666668 0.626365 Mg\n0.666664 0.333332 0.373636 Mg\n0.333332 0.666665 0.251204 Bi\n0.666670 0.333335 0.748796 Bi\n",
"nsites": 5,
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"elements": [
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"Mg",
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],
"chemical_system": "Bi-Mg-Sr",
"density": 5.699617339114664,
"density_atomic": 0.030967581838372955,
"volume": 161.4591680453504,
"volume_molar": 19.446596739231882,
"formula_full": "Sr1 Mg2 Bi2",
"formula_reduced": "Sr(MgBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-22731",
"created_at": "2022-09-04T14:36:10.458060Z",
"updated_at": "2022-09-04T14:36:10.458088Z",
"structure_string": "Sr1 Mg2 As2\n1.0\n4.420559 -0.000004 -0.000000\n-2.210284 3.828317 0.000001\n-0.000000 0.000000 7.405534\nSr Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.370908 Mg\n0.333334 0.666668 0.629091 Mg\n0.333336 0.666668 0.260752 As\n0.666668 0.333334 0.739247 As\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.7903999258221788,
"density_atomic": 0.03989594603388749,
"volume": 125.32601672743932,
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"formula_full": "Sr1 Mg2 As2",
"formula_reduced": "Sr(MgAs)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-106192",
"created_at": "2022-09-04T14:35:43.435556Z",
"updated_at": "2022-09-04T14:35:43.435586Z",
"structure_string": "Sr1 Mg2 As2\n1.0\n4.420558 0.000000 0.000000\n-2.210280 3.828315 0.000000\n0.000000 0.000000 7.405534\nSr Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.370909 Mg\n0.333334 0.666668 0.629091 Mg\n0.333334 0.666668 0.260752 As\n0.666667 0.333333 0.739247 As\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.790400783266444,
"density_atomic": 0.039895955058937824,
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"formula_full": "Sr1 Mg2 As2",
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}
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