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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=970",
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"results": [
{
"id": "jvasp-99357",
"created_at": "2022-09-04T14:36:05.861235Z",
"updated_at": "2022-09-04T14:36:05.861264Z",
"structure_string": "Sr12 Li8\n1.0\n8.602322 0.000000 0.000000\n0.000000 9.625591 -0.000000\n0.000000 -0.000000 9.625591\nSr Li\n12 8\ndirect\n0.500000 0.649675 0.649675 Sr\n0.250000 0.500000 0.000000 Sr\n0.750000 0.500000 0.000000 Sr\n0.000000 0.287824 0.287824 Sr\n0.500000 0.212176 0.787824 Sr\n0.500000 0.787824 0.212176 Sr\n0.000000 0.712176 0.712176 Sr\n0.000000 0.850325 0.149675 Sr\n0.500000 0.350325 0.350325 Sr\n0.250000 0.000000 0.500000 Sr\n0.000000 0.149675 0.850325 Sr\n0.750000 0.000000 0.500000 Sr\n0.318767 0.112913 0.112913 Li\n0.818767 0.387087 0.612913 Li\n0.818767 0.612913 0.387087 Li\n0.318767 0.887087 0.887087 Li\n0.181233 0.612913 0.387087 Li\n0.181233 0.387087 0.612913 Li\n0.681233 0.112913 0.112913 Li\n0.681233 0.887087 0.887087 Li\n",
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{
"id": "jvasp-78999",
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"updated_at": "2022-09-04T14:36:35.177008Z",
"structure_string": "Sr3 Li1\n1.0\n-2.774208 2.774208 5.956617\n2.774208 -2.774208 5.956617\n2.774208 2.774208 -5.956617\nSr Li\n3 1\ndirect\n0.750001 0.249999 0.500001 Sr\n0.249999 0.750001 0.500001 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Li\n",
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"volume": 183.3739784652448,
"volume_molar": 27.607597750972822,
"formula_full": "Sr3 Li1",
"formula_reduced": "Sr3Li",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-117005",
"created_at": "2022-09-04T14:38:48.006232Z",
"updated_at": "2022-09-04T14:38:48.006257Z",
"structure_string": "Sr3 La1 Co2 O8\n1.0\n6.793059 0.009294 0.000000\n-4.677946 4.925704 0.000000\n-0.000000 -0.000000 5.366777\nSr La Co O\n3 1 2 8\ndirect\n0.643213 0.356785 -0.000000 Sr\n0.359490 0.640509 -0.000000 Sr\n0.856518 0.143480 0.500000 Sr\n0.140232 0.859766 0.500000 La\n0.497486 0.502513 0.500000 Co\n0.997279 0.002719 -0.000000 Co\n0.841886 0.158112 -0.000000 O\n0.333999 0.665999 0.500000 O\n0.658266 0.341732 0.500000 O\n0.160254 0.839744 -0.000000 O\n0.755993 0.750310 0.746361 O\n0.249689 0.244005 0.253639 O\n0.249689 0.244005 0.746361 O\n0.755993 0.750310 0.253639 O\n",
"nsites": 14,
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"elements": [
"Sr",
"La",
"Co",
"O"
],
"chemical_system": "Co-La-O-Sr",
"density": 5.98084993586607,
"density_atomic": 0.07786044064764228,
"volume": 179.80889760638595,
"volume_molar": 7.734532080614881,
"formula_full": "Sr3 La1 Co2 O8",
"formula_reduced": "Sr3La(CoO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.119089552142857,
"spacegroup": 38
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{
"id": "jvasp-102984",
"created_at": "2022-09-04T14:36:39.678687Z",
"updated_at": "2022-09-04T14:36:39.678708Z",
"structure_string": "Sr3 La1\n1.0\n5.562668 0.000000 3.211608\n1.854222 5.244533 3.211608\n-0.000000 -0.000000 6.423215\nSr La\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Sr\n0.000000 0.000000 0.000000 La\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "La-Sr",
"density": 3.560240069412079,
"density_atomic": 0.02134605230738322,
"volume": 187.38827875056182,
"volume_molar": 28.211964785250007,
"formula_full": "Sr3 La1",
"formula_reduced": "Sr3La",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0821184825,
"spacegroup": 225
},
{
"id": "jvasp-111850",
"created_at": "2022-09-04T14:38:42.312961Z",
"updated_at": "2022-09-04T14:38:42.312980Z",
"structure_string": "Sr6 Ir4 N8\n1.0\n7.364437 0.042641 -0.237745\n-5.903369 7.175533 0.000000\n0.011325 0.009317 5.551675\nSr Ir N\n6 4 8\ndirect\n0.236973 0.967076 0.056230 Sr\n0.763027 0.730102 0.443772 Sr\n0.763027 0.032924 0.943772 Sr\n0.236974 0.269898 0.556230 Sr\n0.000000 0.596677 0.750001 Sr\n0.000000 0.403323 0.250000 Sr\n0.532197 0.379686 0.086184 Ir\n0.467804 0.847490 0.413818 Ir\n0.532197 0.152510 0.586184 Ir\n0.467804 0.620314 0.913818 Ir\n0.328691 0.729823 0.075694 N\n0.214127 0.936973 0.540238 N\n0.785875 0.722847 0.959764 N\n0.785874 0.063026 0.459764 N\n0.214126 0.277152 0.040237 N\n0.671310 0.270177 0.924308 N\n0.328691 0.598868 0.575694 N\n0.671309 0.401131 0.424308 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ir",
"N"
],
"chemical_system": "Ir-N-Sr",
"density": 7.923246905343684,
"density_atomic": 0.0610580795293314,
"volume": 294.8012800067363,
"volume_molar": 9.862971135715222,
"formula_full": "Sr6 Ir4 N8",
"formula_reduced": "Sr3(IrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.666597125555556,
"spacegroup": 15
},
{
"id": "jvasp-54487",
"created_at": "2022-09-04T14:38:36.881195Z",
"updated_at": "2022-09-04T14:38:36.881215Z",
"structure_string": "Sr12 In4 P12\n1.0\n4.346039 0.000000 0.000000\n0.000000 12.862268 0.000000\n0.000000 0.000000 13.890282\nSr In P\n12 4 12\ndirect\n0.750000 0.644666 0.003610 Sr\n0.250000 0.773796 0.793208 Sr\n0.250000 0.855334 0.503610 Sr\n0.750000 0.144666 0.496389 Sr\n0.750000 0.927855 0.105120 Sr\n0.250000 0.355334 0.996389 Sr\n0.750000 0.726205 0.293208 Sr\n0.750000 0.427855 0.394880 Sr\n0.250000 0.572145 0.605120 Sr\n0.250000 0.072145 0.894880 Sr\n0.250000 0.273796 0.706791 Sr\n0.750000 0.226205 0.206791 Sr\n0.250000 0.552592 0.201518 In\n0.250000 0.052592 0.298482 In\n0.750000 0.947409 0.701518 In\n0.750000 0.447409 0.798482 In\n0.750000 0.256176 0.872317 P\n0.250000 0.596814 0.386237 P\n0.250000 0.096814 0.113763 P\n0.750000 0.403186 0.613763 P\n0.250000 0.243824 0.372317 P\n0.250000 0.547927 0.858126 P\n0.750000 0.452073 0.141873 P\n0.750000 0.952073 0.358127 P\n0.250000 0.047927 0.641873 P\n0.750000 0.756176 0.627683 P\n0.750000 0.903186 0.886237 P\n0.250000 0.743824 0.127683 P\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"chemical_system": "In-P-Sr",
"density": 4.025669490975862,
"density_atomic": 0.03606083634260014,
"volume": 776.4656297480948,
"volume_molar": 16.699947563018107,
"formula_full": "Sr12 In4 P12",
"formula_reduced": "Sr3InP3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.9472007714285712,
"spacegroup": 62
},
{
"id": "jvasp-12898",
"created_at": "2022-09-04T14:38:35.097123Z",
"updated_at": "2022-09-04T14:38:35.097133Z",
"structure_string": "Sr6 In4 P8\n1.0\n4.348030 0.000000 0.000000\n0.000000 6.834273 -0.000000\n0.000000 -0.000000 16.376944\nSr In P\n6 4 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.289872 0.801825 Sr\n0.500000 0.210128 0.301825 Sr\n0.500000 0.789872 0.698174 Sr\n0.000000 0.710128 0.198174 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.636439 0.913986 In\n0.000000 0.863560 0.413986 In\n0.500000 0.363560 0.086014 In\n0.000000 0.136439 0.586014 In\n0.500000 0.259960 0.667554 P\n0.500000 0.740040 0.332446 P\n0.500000 0.258516 0.931543 P\n0.000000 0.241483 0.431543 P\n0.000000 0.758516 0.568456 P\n0.500000 0.741483 0.068457 P\n0.000000 0.759959 0.832446 P\n0.000000 0.240040 0.167554 P\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "In-P-Sr",
"density": 4.206469041173124,
"density_atomic": 0.03698748364942651,
"volume": 486.6511107002298,
"volume_molar": 16.281563831372925,
"formula_full": "Sr6 In4 P8",
"formula_reduced": "Sr3(InP2)2",
"formula_anonymous": "A2B3C4",
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},
{
"id": "jvasp-119621",
"created_at": "2022-09-04T14:38:53.774784Z",
"updated_at": "2022-09-04T14:38:53.774811Z",
"structure_string": "Sr6 In2 Ni2 O12\n1.0\n6.633726 0.036024 -0.292554\n-0.217892 6.851483 -0.210792\n-0.046105 0.036894 6.639999\nSr In Ni O\n6 2 2 12\ndirect\n0.620454 0.877982 0.252065 Sr\n0.879835 0.249997 0.620153 Sr\n0.247936 0.622016 0.879561 Sr\n0.120164 0.750002 0.379850 Sr\n0.752066 0.377982 0.120439 Sr\n0.379549 0.122015 0.747934 Sr\n0.254504 0.250006 0.245492 In\n0.745498 0.749993 0.754510 In\n0.500001 0.499999 0.500001 Ni\n1.000000 -0.000001 1.000000 Ni\n0.964532 0.085732 0.282230 O\n0.583449 0.454822 0.779251 O\n0.782228 0.585717 0.464540 O\n0.455598 0.796103 0.596755 O\n0.720746 0.045175 0.916550 O\n0.544404 0.203895 0.403247 O\n0.035471 0.914267 0.717773 O\n0.416554 0.545180 0.220749 O\n0.217771 0.414282 0.535461 O\n0.096746 0.296094 0.955582 O\n0.903253 0.703905 0.044420 O\n0.279256 0.954822 0.083450 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "In-Ni-O-Sr",
"density": 5.858151542702023,
"density_atomic": 0.07289410538227462,
"volume": 301.80766859853196,
"volume_molar": 8.261492103399052,
"formula_full": "Sr6 In2 Ni2 O12",
"formula_reduced": "Sr3InNiO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 15
},
{
"id": "jvasp-18841",
"created_at": "2022-09-04T14:35:45.681969Z",
"updated_at": "2022-09-04T14:35:45.681981Z",
"structure_string": "Sr3 In1\n1.0\n5.222009 -0.000000 3.014928\n1.740670 4.923358 3.014928\n0.000000 -0.000000 6.029857\nSr In\n3 1\ndirect\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.025802034170367947,
"volume": 155.02653680668925,
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"formula_full": "Sr3 In1",
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"spacegroup": 225
},
{
"id": "jvasp-55279",
"created_at": "2022-09-04T14:38:14.986781Z",
"updated_at": "2022-09-04T14:38:14.986801Z",
"structure_string": "Sr6 Ho2 Rh2 O12\n1.0\n6.806285 -0.000847 -0.244596\n-0.253514 6.801563 -0.244596\n-0.000815 -0.000847 6.810679\nSr Ho Rh O\n6 2 2 12\ndirect\n0.750001 0.380257 0.119742 Sr\n0.119743 0.749999 0.380257 Sr\n0.380258 0.119742 0.750000 Sr\n0.880259 0.249999 0.619742 Sr\n0.250001 0.619742 0.880257 Sr\n0.619743 0.880257 0.249999 Sr\n0.250000 0.250000 0.250000 Ho\n0.750001 0.749999 0.749999 Ho\n0.000000 0.000000 0.000000 Rh\n0.500001 0.499999 0.499999 Rh\n0.090513 0.292211 0.956534 O\n0.792212 0.590511 0.456533 O\n0.543467 0.207788 0.409488 O\n0.409489 0.543466 0.207788 O\n0.207789 0.409487 0.543466 O\n0.707790 0.043465 0.909488 O\n0.909489 0.707788 0.043465 O\n0.043467 0.909487 0.707788 O\n0.456535 0.792210 0.590511 O\n0.590513 0.456533 0.792211 O\n0.956535 0.090511 0.292211 O\n0.292212 0.956533 0.090511 O\n",
"nsites": 22,
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"elements": [
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"Rh",
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],
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"density": 6.6013084547801615,
"density_atomic": 0.06977812745379638,
"volume": 315.2850442220209,
"volume_molar": 8.630413253762882,
"formula_full": "Sr6 Ho2 Rh2 O12",
"formula_reduced": "Sr3HoRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6196116815151511,
"spacegroup": 167
},
{
"id": "jvasp-109596",
"created_at": "2022-09-04T14:38:09.879309Z",
"updated_at": "2022-09-04T14:38:09.879338Z",
"structure_string": "Sr6 Ho2\n1.0\n7.968661 -0.000000 0.000000\n-3.984330 6.901063 0.000000\n-0.000000 -0.000000 6.458468\nSr Ho\n6 2\ndirect\n0.171578 0.343156 0.250000 Sr\n0.656843 0.828422 0.250000 Sr\n0.171578 0.828422 0.250000 Sr\n0.828422 0.656843 0.750000 Sr\n0.343157 0.171578 0.750000 Sr\n0.828422 0.171578 0.750000 Sr\n0.333333 0.666666 0.750000 Ho\n0.666666 0.333333 0.250000 Ho\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ho-Sr",
"density": 4.0001768345487445,
"density_atomic": 0.0225247060016399,
"volume": 355.16556795092305,
"volume_molar": 26.735713041322544,
"formula_full": "Sr6 Ho2",
"formula_reduced": "Sr3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-21889",
"created_at": "2022-09-04T14:37:40.533112Z",
"updated_at": "2022-09-04T14:37:40.533141Z",
"structure_string": "Sr6 Hg4\n1.0\n8.959639 -0.000000 -0.000000\n-0.000000 8.959639 -0.000000\n-0.000000 0.000000 4.450903\nSr Hg\n6 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.346619 0.846619 0.500000 Sr\n0.846619 0.653381 0.500000 Sr\n0.653381 0.153381 0.500000 Sr\n0.153381 0.346619 0.500000 Sr\n0.143299 0.643299 0.000000 Hg\n0.643299 0.856701 0.000000 Hg\n0.356701 0.143299 0.000000 Hg\n0.856701 0.356701 0.000000 Hg\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Hg-Sr",
"density": 6.172259564713791,
"density_atomic": 0.02798793440064455,
"volume": 357.29682143923077,
"volume_molar": 21.516917518076337,
"formula_full": "Sr6 Hg4",
"formula_reduced": "Sr3Hg2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 127
}
]
}