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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=939",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=937",
"results": [
{
"id": "jvasp-23870",
"created_at": "2022-09-04T14:37:39.801457Z",
"updated_at": "2022-09-04T14:37:39.801473Z",
"structure_string": "Sr2 Br2 F2\n1.0\n4.224630 0.000000 0.000000\n0.000000 4.224630 0.000000\n0.000000 0.000000 7.332647\nSr Br F\n2 2 2\ndirect\n0.500000 0.000000 0.812449 Sr\n0.000000 0.500000 0.187551 Sr\n0.000000 0.500000 0.646907 Br\n0.500000 0.000000 0.353094 Br\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
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"elements": [
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"Br",
"F"
],
"chemical_system": "Br-F-Sr",
"density": 4.733386413392521,
"density_atomic": 0.04584723138947646,
"volume": 130.8694073373689,
"volume_molar": 13.135233202723539,
"formula_full": "Sr2 Br2 F2",
"formula_reduced": "SrBrF",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-22526",
"created_at": "2022-09-04T14:37:18.288987Z",
"updated_at": "2022-09-04T14:37:18.289006Z",
"structure_string": "Sr2 Br2 F2\n1.0\n4.224630 0.000000 0.000000\n-0.000000 4.224630 0.000000\n-0.000000 0.000000 7.332647\nSr Br F\n2 2 2\ndirect\n0.750000 0.750000 0.812449 Sr\n0.250000 0.250000 0.187551 Sr\n0.250000 0.250000 0.646907 Br\n0.750000 0.750000 0.353094 Br\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 6,
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"elements": [
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"density": 4.733386413392521,
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"volume": 130.8694073373689,
"volume_molar": 13.135233202723539,
"formula_full": "Sr2 Br2 F2",
"formula_reduced": "SrBrF",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-37581",
"created_at": "2022-09-04T14:38:01.809771Z",
"updated_at": "2022-09-04T14:38:01.809794Z",
"structure_string": "Sr2 Br6\n1.0\n3.341315 -5.787328 -0.000000\n3.341315 5.787328 0.000000\n-0.000000 0.000000 5.898844\nSr Br\n2 6\ndirect\n0.333334 0.666668 0.250000 Sr\n0.666668 0.333334 0.749999 Sr\n0.171590 0.828411 0.749999 Br\n0.656821 0.828412 0.749999 Br\n0.171590 0.343180 0.749999 Br\n0.828411 0.171590 0.250000 Br\n0.343180 0.171590 0.250000 Br\n0.828412 0.656821 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Br"
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"chemical_system": "Br-Sr",
"density": 4.765134167523925,
"density_atomic": 0.03506691518950952,
"volume": 228.13526529967618,
"volume_molar": 17.17328349943242,
"formula_full": "Sr2 Br6",
"formula_reduced": "SrBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1628860262499999,
"spacegroup": 194
},
{
"id": "jvasp-100757",
"created_at": "2022-09-04T14:36:59.514750Z",
"updated_at": "2022-09-04T14:36:59.514776Z",
"structure_string": "Sr2 Br4\n1.0\n7.070457 -0.000000 0.000000\n0.000000 7.070457 0.000000\n-0.000000 -0.000000 4.653333\nSr Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.303096 0.303096 -0.000000 Br\n0.696904 0.696904 -0.000000 Br\n0.196904 0.803097 0.500000 Br\n0.803097 0.196904 0.500000 Br\n",
"nsites": 6,
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"elements": [
"Sr",
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],
"chemical_system": "Br-Sr",
"density": 3.5323915285976373,
"density_atomic": 0.025792423264947233,
"volume": 232.6264553883233,
"volume_molar": 23.348487647472393,
"formula_full": "Sr2 Br4",
"formula_reduced": "SrBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0148566666666666,
"spacegroup": 136
},
{
"id": "jvasp-56890",
"created_at": "2022-09-04T14:36:43.960037Z",
"updated_at": "2022-09-04T14:36:43.960054Z",
"structure_string": "Sr4 Br8\n1.0\n4.688560 -0.000000 0.000000\n-0.000000 7.770300 0.000000\n0.000000 0.000000 11.306242\nSr Br\n4 8\ndirect\n0.250000 0.138793 0.831977 Sr\n0.750000 0.861207 0.168023 Sr\n0.250000 0.361207 0.331977 Sr\n0.750000 0.638793 0.668023 Sr\n0.750000 0.617605 0.390138 Br\n0.250000 0.382395 0.609862 Br\n0.250000 0.615371 0.121687 Br\n0.250000 0.117605 0.109862 Br\n0.250000 0.884629 0.621687 Br\n0.750000 0.384629 0.878313 Br\n0.750000 0.882395 0.890138 Br\n0.750000 0.115371 0.378313 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Br"
],
"chemical_system": "Br-Sr",
"density": 3.9899034992471414,
"density_atomic": 0.029133033245533634,
"volume": 411.90355631230784,
"volume_molar": 20.671176630477536,
"formula_full": "Sr4 Br8",
"formula_reduced": "SrBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-21370",
"created_at": "2022-09-04T14:37:50.218487Z",
"updated_at": "2022-09-04T14:37:50.218505Z",
"structure_string": "Sr3 B3 P3 O15\n1.0\n3.441639 -5.961093 0.000000\n3.441639 5.961093 -0.000000\n0.000000 0.000000 6.857818\nSr B P O\n3 3 3 15\ndirect\n0.000000 0.605448 0.166667 Sr\n0.605448 0.000000 0.833333 Sr\n0.394552 0.394552 0.500000 Sr\n0.900748 0.900748 0.500000 B\n0.000000 0.099252 0.166667 B\n0.099252 0.000000 0.833333 B\n0.000000 0.593479 0.666667 P\n0.593479 0.000000 0.333333 P\n0.406521 0.406521 0.000000 P\n0.588239 0.450970 0.146481 O\n0.187867 0.338540 0.127597 O\n0.661460 0.849327 0.460930 O\n0.150673 0.812133 0.794264 O\n0.849327 0.661460 0.539070 O\n0.812133 0.150673 0.205737 O\n0.044044 0.000000 0.333333 O\n0.137269 0.549030 0.520185 O\n0.411762 0.862731 0.186852 O\n0.450970 0.588239 0.853519 O\n0.549030 0.137269 0.479815 O\n0.955956 0.955956 0.000000 O\n0.000000 0.044044 0.666667 O\n0.338540 0.187867 0.872403 O\n0.862731 0.411762 0.813148 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-O-P-Sr",
"density": 3.707178700820063,
"density_atomic": 0.0852911713953102,
"volume": 281.3890301583976,
"volume_molar": 7.060684783057314,
"formula_full": "Sr3 B3 P3 O15",
"formula_reduced": "SrBPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.401707736666667,
"spacegroup": 152
},
{
"id": "jvasp-99255",
"created_at": "2022-09-04T14:35:50.644003Z",
"updated_at": "2022-09-04T14:35:50.644028Z",
"structure_string": "Sr4 B8 O16\n1.0\n4.374604 -0.000000 0.000000\n0.000000 6.522676 0.000000\n0.000000 0.000000 12.121713\nSr B O\n4 8 16\ndirect\n0.738334 0.250000 0.500000 Sr\n0.261665 0.750001 0.500000 Sr\n0.238334 0.250000 0.000000 Sr\n0.761665 0.750001 0.000000 Sr\n0.330776 0.872198 0.805643 B\n0.330776 0.627803 0.194356 B\n0.669223 0.372198 0.805643 B\n0.169224 0.127802 0.305644 B\n0.669223 0.127802 0.194356 B\n0.830776 0.872198 0.694356 B\n0.830776 0.627803 0.305644 B\n0.169224 0.372198 0.694356 B\n0.236689 0.903489 0.908858 O\n0.763310 0.403488 0.908858 O\n0.263310 0.403488 0.591141 O\n0.263310 0.096512 0.408859 O\n0.350554 0.351817 0.788572 O\n0.350554 0.148183 0.211427 O\n0.149446 0.851817 0.711427 O\n0.649445 0.648184 0.211427 O\n0.649445 0.851817 0.788572 O\n0.850553 0.351817 0.711427 O\n0.736689 0.596512 0.408859 O\n0.763310 0.096512 0.091141 O\n0.736689 0.903489 0.591141 O\n0.236689 0.596512 0.091141 O\n0.149446 0.648184 0.288572 O\n0.850553 0.148183 0.288572 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
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"density": 3.326807805298358,
"density_atomic": 0.08095235399024137,
"volume": 345.88246814138773,
"volume_molar": 7.439117534155901,
"formula_full": "Sr4 B8 O16",
"formula_reduced": "Sr(BO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5238236395238096,
"spacegroup": 60
},
{
"id": "jvasp-97949",
"created_at": "2022-09-04T14:35:40.778623Z",
"updated_at": "2022-09-04T14:35:40.778648Z",
"structure_string": "Sr12 B24 O48\n1.0\n9.265598 -0.000000 0.000000\n-0.000000 9.265598 0.000000\n0.000000 0.000000 9.265598\nSr B O\n12 24 48\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.371104 0.128897 0.871104 Sr\n0.128897 0.871104 0.371104 Sr\n0.628897 0.628897 0.628897 Sr\n0.628897 0.871104 0.128897 Sr\n0.871104 0.371104 0.128897 Sr\n0.128897 0.628897 0.871104 Sr\n0.371104 0.371104 0.371104 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.871104 0.128897 0.628897 Sr\n0.660785 0.613762 0.311847 B\n0.386238 0.811847 0.839215 B\n0.886238 0.688153 0.160785 B\n0.613762 0.311847 0.660785 B\n0.688153 0.160785 0.886238 B\n0.160785 0.886238 0.688153 B\n0.811847 0.839215 0.386238 B\n0.839215 0.386238 0.811847 B\n0.886238 0.811847 0.660785 B\n0.811847 0.660785 0.886238 B\n0.688153 0.339215 0.386238 B\n0.160785 0.613762 0.188153 B\n0.660785 0.886238 0.811847 B\n0.839215 0.113762 0.311847 B\n0.339215 0.386238 0.688153 B\n0.188153 0.160785 0.613762 B\n0.386238 0.688153 0.339215 B\n0.113762 0.311847 0.839215 B\n0.613762 0.188153 0.160785 B\n0.113762 0.188153 0.339215 B\n0.339215 0.113762 0.188153 B\n0.188153 0.339215 0.113762 B\n0.311847 0.660785 0.613762 B\n0.311847 0.839215 0.113762 B\n0.241083 0.616031 0.325500 O\n0.174500 0.758917 0.116031 O\n0.325500 0.241083 0.616031 O\n0.825500 0.258917 0.383969 O\n0.093163 0.281082 0.997130 O\n0.997130 0.093163 0.281082 O\n0.281082 0.997130 0.093163 O\n0.593163 0.218918 0.002871 O\n0.497130 0.406837 0.718918 O\n0.718918 0.497130 0.406837 O\n0.502871 0.906838 0.781082 O\n0.002871 0.593163 0.218918 O\n0.781082 0.502871 0.906838 O\n0.116031 0.174500 0.758917 O\n0.906838 0.781082 0.502871 O\n0.218918 0.002871 0.593163 O\n0.406837 0.718918 0.497130 O\n0.616031 0.325500 0.241083 O\n0.758917 0.116031 0.174500 O\n0.383969 0.825500 0.258917 O\n0.593163 0.281082 0.502871 O\n0.906838 0.718918 0.002871 O\n0.002871 0.906838 0.718918 O\n0.718918 0.002871 0.906838 O\n0.781082 0.997130 0.406837 O\n0.502871 0.593163 0.281082 O\n0.281082 0.502871 0.593163 O\n0.497130 0.093163 0.218918 O\n0.997130 0.406837 0.781082 O\n0.218918 0.497130 0.093163 O\n0.406837 0.781082 0.997130 O\n0.093163 0.218918 0.497130 O\n0.258917 0.383969 0.825500 O\n0.325500 0.258917 0.116031 O\n0.258917 0.116031 0.325500 O\n0.241083 0.883969 0.825500 O\n0.616031 0.174500 0.741083 O\n0.383969 0.674500 0.758917 O\n0.883969 0.825500 0.241083 O\n0.758917 0.383969 0.674500 O\n0.825500 0.241083 0.883969 O\n0.674500 0.758917 0.383969 O\n0.174500 0.741083 0.616031 O\n0.674500 0.741083 0.883969 O\n0.883969 0.674500 0.741083 O\n0.741083 0.883969 0.674500 O\n0.116031 0.325500 0.258917 O\n0.741083 0.616031 0.174500 O\n",
"nsites": 84,
"nelements": 3,
"elements": [
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"B",
"O"
],
"chemical_system": "B-O-Sr",
"density": 4.339674480700644,
"density_atomic": 0.10559878578034934,
"volume": 795.4636919284671,
"volume_molar": 5.702850383645838,
"formula_full": "Sr12 B24 O48",
"formula_reduced": "Sr(BO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 205
},
{
"id": "jvasp-92574",
"created_at": "2022-09-04T14:35:57.672568Z",
"updated_at": "2022-09-04T14:35:57.672603Z",
"structure_string": "Sr1 B2 N2\n1.0\n3.370411 1.992027 -0.724457\n3.370411 -1.992027 -0.724457\n0.802104 0.000000 -7.071352\nSr B N\n1 2 2\ndirect\n0.105112 0.894888 0.000001 Sr\n0.645767 0.435176 0.379560 B\n0.564823 0.354232 0.620441 B\n0.708955 0.498658 0.190697 N\n0.501341 0.291044 0.809304 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-N-Sr",
"density": 2.4602991308404825,
"density_atomic": 0.05397335071242088,
"volume": 92.63831009197193,
"volume_molar": 11.157618862847672,
"formula_full": "Sr1 B2 N2",
"formula_reduced": "Sr(BN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.8178275953333327,
"spacegroup": 166
},
{
"id": "jvasp-21451",
"created_at": "2022-09-04T14:38:31.132166Z",
"updated_at": "2022-09-04T14:38:31.132192Z",
"structure_string": "Sr2 B4 Ir4\n1.0\n5.433096 0.006193 -1.492458\n-2.842905 4.629953 -1.492458\n-0.007826 -0.014008 6.188154\nSr B Ir\n2 4 4\ndirect\n0.875000 0.124999 0.249999 Sr\n0.125000 0.874999 0.749999 Sr\n0.549397 0.450602 0.249999 B\n0.799397 0.200602 0.749999 B\n0.200603 0.799396 0.249999 B\n0.450603 0.549396 0.749999 B\n0.506350 0.756349 0.512699 Ir\n0.756350 0.506349 0.012699 Ir\n0.493650 0.243649 0.487299 Ir\n0.243650 0.493649 0.987299 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Sr",
"density": 10.540606231643231,
"density_atomic": 0.0642901563420391,
"volume": 155.54480761872148,
"volume_molar": 9.367127259670612,
"formula_full": "Sr2 B4 Ir4",
"formula_reduced": "Sr(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.6233727353333336,
"spacegroup": 70
},
{
"id": "jvasp-56720",
"created_at": "2022-09-04T14:38:19.665932Z",
"updated_at": "2022-09-04T14:38:19.665953Z",
"structure_string": "Sr2 Bi4 Pd4\n1.0\n0.000000 4.982566 -0.015401\n4.834349 0.000000 0.000000\n0.000000 -0.387457 -10.842775\nSr Bi Pd\n2 4 4\ndirect\n0.735036 0.250000 0.237301 Sr\n0.264964 0.750000 0.762699 Sr\n0.799073 0.250000 0.880855 Bi\n0.200927 0.750000 0.119146 Bi\n0.751496 0.750000 0.496048 Bi\n0.248504 0.250000 0.503953 Bi\n0.753803 0.250000 0.630162 Pd\n0.246197 0.750000 0.369839 Pd\n0.316014 0.250000 0.000271 Pd\n0.683987 0.750000 -0.000271 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "Bi-Pd-Sr",
"density": 9.134368302646802,
"density_atomic": 0.03828428387042181,
"volume": 261.2037888405152,
"volume_molar": 15.730059834428996,
"formula_full": "Sr2 Bi4 Pd4",
"formula_reduced": "Sr(BiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8526952620000001,
"spacegroup": 11
},
{
"id": "jvasp-12983",
"created_at": "2022-09-04T14:36:53.187919Z",
"updated_at": "2022-09-04T14:36:53.187939Z",
"structure_string": "Sr2 Bi4 O8\n1.0\n4.277317 -0.000000 -0.965832\n-0.098566 6.059454 -0.436514\n-0.007396 0.096943 9.921504\nSr Bi O\n2 4 8\ndirect\n0.234536 0.260594 0.469074 Sr\n0.765462 0.739405 0.530926 Sr\n0.426209 0.725282 0.852420 Bi\n0.573790 0.274717 0.147580 Bi\n0.100186 0.810597 0.200374 Bi\n0.899813 0.189402 0.799626 Bi\n0.090128 0.172351 0.180256 O\n0.909871 0.827648 0.819744 O\n0.206268 0.853126 0.412539 O\n0.793730 0.146873 0.587461 O\n0.326199 0.575535 0.652399 O\n0.673800 0.424464 0.347601 O\n0.588876 0.921087 0.177753 O\n0.411123 0.078912 0.822247 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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],
"chemical_system": "Bi-O-Sr",
"density": 7.351941697887638,
"density_atomic": 0.05441235033755693,
"volume": 257.2945280464536,
"volume_molar": 11.067599033382225,
"formula_full": "Sr2 Bi4 O8",
"formula_reduced": "Sr(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5056555585714282,
"spacegroup": 12
}
]
}