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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=875",
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"results": [
{
"id": "jvasp-21125",
"created_at": "2022-09-04T14:37:05.868421Z",
"updated_at": "2022-09-04T14:37:05.868452Z",
"structure_string": "Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n",
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"elements": [
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"density": 6.123754290068519,
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"volume": 302.6263520821281,
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"formula_full": "Sr6 Li2 Ir2 O12",
"formula_reduced": "Sr3LiIrO6",
"formula_anonymous": "ABC3D6",
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{
"id": "jvasp-57323",
"created_at": "2022-09-04T14:38:14.958350Z",
"updated_at": "2022-09-04T14:38:14.958377Z",
"structure_string": "Sr6 Li2 Cr2 N8 O1\n1.0\n6.162044 -0.003735 -0.005010\n2.331941 6.444382 -0.006377\n1.935512 0.363379 7.249626\nSr Li Cr N O\n6 2 2 8 1\ndirect\n0.199937 0.379369 0.300727 Sr\n0.293589 0.864710 0.071715 Sr\n0.700962 0.188691 0.464813 Sr\n0.299037 0.811308 0.535187 Sr\n0.706410 0.135289 0.928285 Sr\n0.800063 0.620630 0.699273 Sr\n0.226794 0.509965 0.908218 Li\n0.773206 0.490034 0.091782 Li\n0.212517 0.212877 0.750389 Cr\n0.787482 0.787122 0.249611 Cr\n0.014036 0.181167 0.634115 N\n0.532808 0.010096 0.264874 N\n0.985963 0.818832 0.365885 N\n0.713067 0.568446 0.356406 N\n0.923104 0.743807 0.016813 N\n0.286932 0.431553 0.643594 N\n0.467191 0.989903 0.735126 N\n0.076895 0.256192 0.983187 N\n0.500000 0.499999 -0.000000 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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"chemical_system": "Cr-Li-N-O-Sr",
"density": 4.448786102070701,
"density_atomic": 0.06596707749527755,
"volume": 288.0224609216646,
"volume_molar": 9.129009482694018,
"formula_full": "Sr6 Li2 Cr2 N8 O1",
"formula_reduced": "Sr6Li2Cr2N8O",
"formula_anonymous": "AB2C2D6E8",
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"spacegroup": 2
},
{
"id": "jvasp-18998",
"created_at": "2022-09-04T14:37:05.268239Z",
"updated_at": "2022-09-04T14:37:05.268266Z",
"structure_string": "Sr6 Li23\n1.0\n8.967966 -0.000000 5.177657\n2.989322 8.455080 5.177657\n0.000000 0.000000 10.355314\nSr Li\n6 23\ndirect\n0.205374 0.794626 0.794626 Sr\n0.794626 0.205374 0.794626 Sr\n0.205374 0.205374 0.794626 Sr\n0.794626 0.794626 0.205374 Sr\n0.794626 0.205374 0.205374 Sr\n0.205374 0.794626 0.205374 Sr\n0.822461 0.822461 0.822461 Li\n0.177539 0.177539 0.467382 Li\n0.177539 0.467383 0.177539 Li\n0.467383 0.177539 0.177539 Li\n0.822461 0.532617 0.822461 Li\n0.532617 0.822461 0.822461 Li\n0.822461 0.822461 0.532618 Li\n0.177539 0.177539 0.177539 Li\n0.500000 0.500000 0.500000 Li\n0.378095 0.865715 0.378095 Li\n0.865715 0.378095 0.378095 Li\n0.621905 0.134285 0.621905 Li\n0.134285 0.621905 0.621905 Li\n0.621905 0.621905 0.134285 Li\n0.378095 0.378095 0.378095 Li\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.378095 0.378095 0.865715 Li\n0.621905 0.621905 0.621905 Li\n",
"nsites": 29,
"nelements": 2,
"elements": [
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],
"chemical_system": "Li-Sr",
"density": 1.4494218559747292,
"density_atomic": 0.03693371990743358,
"volume": 785.1903375203542,
"volume_molar": 16.30526460668787,
"formula_full": "Sr6 Li23",
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"formula_anonymous": "A6B23",
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"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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],
"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",
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"spacegroup": 15
},
{
"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,
"nelements": 3,
"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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"spacegroup": 58
},
{
"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",
"energy_above_hull": 1.251703845454545,
"spacegroup": 15
},
{
"id": "jvasp-38038",
"created_at": "2022-09-04T14:38:14.265230Z",
"updated_at": "2022-09-04T14:38:14.265257Z",
"structure_string": "Sr6 In2 N1 F1\n1.0\n0.000000 5.266925 5.266925\n5.266925 -0.000000 5.266925\n5.266925 5.266925 0.000000\nSr In N F\n6 2 1 1\ndirect\n0.241523 0.758478 0.758478 Sr\n0.241523 0.758478 0.241523 Sr\n0.758478 0.241523 0.758478 Sr\n0.758478 0.758478 0.241523 Sr\n0.241523 0.241523 0.758478 Sr\n0.758478 0.241523 0.241523 Sr\n0.250000 0.250000 0.250000 In\n0.750001 0.750001 0.750001 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"N",
"F"
],
"chemical_system": "F-In-N-Sr",
"density": 4.479947122337504,
"density_atomic": 0.03422146535120521,
"volume": 292.21425492371037,
"volume_molar": 17.59755375229107,
"formula_full": "Sr6 In2 N1 F1",
"formula_reduced": "Sr6In2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"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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],
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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",
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"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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],
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"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
},
{
"id": "jvasp-52552",
"created_at": "2022-09-04T14:35:59.687027Z",
"updated_at": "2022-09-04T14:35:59.687055Z",
"structure_string": "Sr6 Hf4 O14\n1.0\n5.737327 0.000000 0.000000\n0.000000 5.737124 0.000000\n-2.868664 0.000000 10.682687\nSr Hf O\n6 4 14\ndirect\n0.061467 0.250000 0.622935 Sr\n0.438534 0.250000 0.377066 Sr\n0.561467 0.749999 0.622935 Sr\n0.250000 0.250000 -0.000000 Sr\n0.750000 0.749999 -0.000000 Sr\n0.938534 0.749999 0.377066 Sr\n0.151807 0.749999 0.803614 Hf\n0.651807 0.250000 0.803614 Hf\n0.348194 0.749999 0.196387 Hf\n0.848194 0.250000 0.196387 Hf\n0.647223 0.949486 0.193373 O\n0.953851 0.449486 0.806627 O\n0.852779 0.949486 0.806627 O\n0.546151 0.449486 0.193373 O\n0.446154 0.749999 0.392307 O\n0.553847 0.250000 0.607693 O\n0.046151 0.550513 0.193373 O\n0.453850 0.550513 0.806627 O\n0.147223 0.050514 0.193373 O\n0.352778 0.050514 0.806627 O\n0.750000 0.250000 -0.000000 O\n0.053847 0.749999 0.607693 O\n0.250000 0.749999 -0.000000 O\n0.946155 0.250000 0.392307 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 6.912074331628881,
"density_atomic": 0.06825380980220468,
"volume": 351.6287232837334,
"volume_molar": 8.823156945307217,
"formula_full": "Sr6 Hf4 O14",
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"formula_anonymous": "A2B3C7",
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},
{
"id": "jvasp-22913",
"created_at": "2022-09-04T14:37:30.869390Z",
"updated_at": "2022-09-04T14:37:30.869408Z",
"structure_string": "Sr6 Ge6 O18\n1.0\n6.905969 0.003410 2.288445\n3.056843 6.192586 2.288445\n-0.020789 -0.012929 11.381826\nSr Ge O\n6 6 18\ndirect\n0.330508 0.839829 0.500659 Sr\n0.669491 0.160171 0.499343 Sr\n0.839829 0.330509 0.000658 Sr\n0.500000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.160171 0.669492 0.999343 Sr\n0.582222 0.679732 0.753441 Ge\n0.320268 0.417778 0.746561 Ge\n0.417778 0.320269 0.246561 Ge\n0.679731 0.582222 0.253440 Ge\n0.846419 0.153581 0.750001 Ge\n0.153580 0.846420 0.250001 Ge\n0.175359 0.367999 0.896202 O\n0.632001 0.824641 0.603800 O\n0.717668 0.531403 0.406375 O\n0.653958 0.346042 0.250001 O\n0.531402 0.717668 0.906376 O\n0.367999 0.175359 0.396202 O\n0.824641 0.632002 0.103799 O\n0.819724 0.417111 0.751127 O\n0.582889 0.180275 0.748874 O\n0.180275 0.582889 0.248874 O\n0.417111 0.819725 0.251127 O\n0.990193 0.111949 0.599441 O\n0.888051 0.009807 0.900560 O\n0.009806 0.888052 0.400560 O\n0.111948 0.990194 0.099441 O\n0.346042 0.653958 0.750001 O\n0.282332 0.468597 0.593626 O\n0.468597 0.282332 0.093626 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
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],
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"density": 4.260253605691012,
"density_atomic": 0.06159624661990482,
"volume": 487.0426632506128,
"volume_molar": 9.776798247401564,
"formula_full": "Sr6 Ge6 O18",
"formula_reduced": "SrGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0957045519999995,
"spacegroup": 15
}
]
}