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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1294",
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"results": [
{
"id": "jvasp-87209",
"created_at": "2022-09-04T14:35:53.983250Z",
"updated_at": "2022-09-04T14:35:53.983279Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n5.592091 0.000000 0.000000\n0.000000 5.592091 -0.000000\n0.000000 0.000000 7.908598\nSr Ru O\n4 4 12\ndirect\n0.000000 0.000000 0.250000 Sr\n0.500000 0.500000 0.250000 Sr\n0.500000 0.500000 0.750000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.250000 0.750000 0.500000 O\n0.750000 0.750000 0.000000 O\n0.500000 0.000000 0.250000 O\n0.250000 0.750000 0.000000 O\n0.750000 0.750000 0.500000 O\n0.250000 0.250000 0.000000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.000000 0.750000 O\n0.000000 0.500000 0.750000 O\n0.000000 0.500000 0.250000 O\n0.750000 0.250000 0.000000 O\n0.250000 0.250000 0.500000 O\n",
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"elements": [
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"density": 6.356788103800729,
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"volume": 247.31357804312597,
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"formula_full": "Sr4 Ru4 O12",
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{
"id": "jvasp-107581",
"created_at": "2022-09-04T14:36:59.088938Z",
"updated_at": "2022-09-04T14:36:59.088954Z",
"structure_string": "Sr2 Ru1 N2\n1.0\n3.732748 -0.000000 -1.101736\n-0.326747 3.717408 -1.107039\n0.004169 0.013815 6.888381\nSr Ru N\n2 1 2\ndirect\n0.142674 0.142675 0.785349 Sr\n0.857326 0.857327 0.214650 Sr\n0.500000 0.500001 0.500000 Ru\n0.644943 0.644944 0.789885 N\n0.355057 0.355057 0.210115 N\n",
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"density": 5.2824935349011515,
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"volume": 95.66332476164487,
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"formula_full": "Sr2 Ru1 N2",
"formula_reduced": "Sr2RuN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-19091",
"created_at": "2022-09-04T14:37:03.453295Z",
"updated_at": "2022-09-04T14:37:03.453314Z",
"structure_string": "Sr6 Rh5 O15\n1.0\n7.097583 0.026862 0.511441\n0.477837 7.081530 0.511441\n0.028626 0.026862 7.115928\nSr Rh O\n6 5 15\ndirect\n0.144499 0.500000 0.855502 Sr\n0.500000 0.855501 0.144498 Sr\n0.855501 0.144498 0.500000 Sr\n0.320397 -0.000000 0.679604 Sr\n0.000000 0.679603 0.320396 Sr\n0.679603 0.320396 -0.000000 Sr\n0.500000 0.500000 0.500000 Rh\n0.708429 0.708428 0.708428 Rh\n0.096013 0.096013 0.096013 Rh\n0.903988 0.903987 0.903987 Rh\n0.291572 0.291572 0.291572 Rh\n0.208448 0.016851 0.348207 O\n0.791552 0.651793 0.983149 O\n0.563467 0.263901 0.349192 O\n0.348207 0.208448 0.016851 O\n0.016852 0.348207 0.208448 O\n0.165458 0.834542 -0.000000 O\n0.000001 0.165458 0.834542 O\n0.834542 -0.000000 0.165458 O\n0.436534 0.650808 0.736099 O\n0.736099 0.436533 0.650808 O\n0.650809 0.736099 0.436533 O\n0.349192 0.563467 0.263901 O\n0.263901 0.349191 0.563467 O\n0.983149 0.791552 0.651793 O\n0.651794 0.983148 0.791552 O\n",
"nsites": 26,
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"elements": [
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"chemical_system": "O-Rh-Sr",
"density": 5.94864084614267,
"density_atomic": 0.07275303511665597,
"volume": 357.37340659823,
"volume_molar": 8.277511378520208,
"formula_full": "Sr6 Rh5 O15",
"formula_reduced": "Sr6(RhO3)5",
"formula_anonymous": "A5B6C15",
"energy_above_hull": 2.248315206153846,
"spacegroup": 155
},
{
"id": "jvasp-101654",
"created_at": "2022-09-04T14:36:52.543555Z",
"updated_at": "2022-09-04T14:36:52.543577Z",
"structure_string": "Sr2 Rh2 O6\n1.0\n4.815988 0.013027 -2.898210\n-1.532782 4.565577 -2.898210\n-0.009341 -0.013027 5.620789\nSr Rh O\n2 2 6\ndirect\n0.750001 0.250000 0.500001 Sr\n0.250001 0.750000 0.500001 Sr\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.000001 Rh\n0.690178 0.190178 0.880357 O\n0.309823 0.809823 0.119644 O\n0.190178 0.309822 0.500000 O\n0.809823 0.690179 0.500001 O\n0.250000 0.250000 0.000000 O\n0.750001 0.750001 0.000001 O\n",
"nsites": 10,
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"elements": [
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"chemical_system": "O-Rh-Sr",
"density": 6.422648947569093,
"density_atomic": 0.08107809837700249,
"volume": 123.33787052455665,
"volume_molar": 7.427580173375352,
"formula_full": "Sr2 Rh2 O6",
"formula_reduced": "SrRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6648159619999996,
"spacegroup": 140
},
{
"id": "jvasp-25645",
"created_at": "2022-09-04T14:38:17.682051Z",
"updated_at": "2022-09-04T14:38:17.682078Z",
"structure_string": "Sr8 Rh2 O12\n1.0\n6.889432 0.017230 -0.017171\n-0.017257 6.889431 -0.017171\n0.017144 0.017230 6.889431\nSr Rh O\n8 2 12\ndirect\n0.617832 0.882167 0.250000 Sr\n0.382167 0.117833 0.750000 Sr\n0.882166 0.250000 0.617833 Sr\n0.249999 0.617833 0.882167 Sr\n0.749999 0.750000 0.750000 Sr\n0.750000 0.382167 0.117833 Sr\n0.250000 0.250000 0.250000 Sr\n0.117832 0.750000 0.382167 Sr\n0.000000 0.000000 0.000000 Rh\n0.499999 0.500000 0.500000 Rh\n0.058548 0.926769 0.715197 O\n0.941451 0.073230 0.284803 O\n0.926769 0.715197 0.058549 O\n0.441451 0.784803 0.573231 O\n0.715196 0.058549 0.926770 O\n0.573230 0.441452 0.784803 O\n0.426769 0.558548 0.215197 O\n0.284803 0.941451 0.073231 O\n0.784802 0.573230 0.441452 O\n0.215196 0.426770 0.558549 O\n0.558548 0.215197 0.426770 O\n0.073230 0.284803 0.941451 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "O-Rh-Sr",
"density": 5.579498834849255,
"density_atomic": 0.06727666146602719,
"volume": 327.0079031955142,
"volume_molar": 8.951307375799274,
"formula_full": "Sr8 Rh2 O12",
"formula_reduced": "Sr4RhO6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.429984476363636,
"spacegroup": 167
},
{
"id": "jvasp-36639",
"created_at": "2022-09-04T14:37:19.742912Z",
"updated_at": "2022-09-04T14:37:19.742936Z",
"structure_string": "Sr1 Rh1 O3\n1.0\n3.965772 0.000000 0.000000\n0.000000 3.965772 0.000000\n-0.000000 -0.000000 3.965772\nSr Rh O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"density": 6.3503462924001495,
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"volume": 62.37107457178977,
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"formula_full": "Sr1 Rh1 O3",
"formula_reduced": "SrRhO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-94836",
"created_at": "2022-09-04T14:35:52.887416Z",
"updated_at": "2022-09-04T14:35:52.887450Z",
"structure_string": "Sr2 Rh1 O4\n1.0\n3.911005 -0.000000 -0.000000\n-0.000000 3.911005 -0.000000\n-1.955502 -1.955502 6.344375\nSr Rh O\n2 1 4\ndirect\n0.645202 0.645202 0.290407 Sr\n0.354796 0.354796 0.709592 Sr\n0.000000 0.000000 0.000000 Rh\n0.837535 0.837535 0.675070 O\n0.162464 0.162464 0.324930 O\n0.000000 0.499999 0.000000 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Rh-Sr",
"density": 5.854520027519211,
"density_atomic": 0.0721327438434404,
"volume": 97.04330692303985,
"volume_molar": 8.348692201520405,
"formula_full": "Sr2 Rh1 O4",
"formula_reduced": "Sr2RhO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5419756599999996,
"spacegroup": 139
},
{
"id": "jvasp-103654",
"created_at": "2022-09-04T14:36:54.081899Z",
"updated_at": "2022-09-04T14:36:54.081916Z",
"structure_string": "Sr2 Rh2 O6\n1.0\n4.887844 -0.002733 -2.701428\n-1.625512 4.521074 -2.847163\n0.015980 0.002733 5.584664\nSr Rh O\n2 2 6\ndirect\n0.256570 0.749999 0.506570 Sr\n0.743429 0.250000 0.493429 Sr\n0.500000 0.500000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.297257 0.297257 0.499999 O\n0.702742 0.702742 0.499999 O\n0.702742 0.202743 -0.000000 O\n0.297258 0.797257 0.000000 O\n0.831579 0.750000 0.081580 O\n0.168420 0.249999 0.918419 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "O-Rh-Sr",
"density": 6.407362581212275,
"density_atomic": 0.08088512667242659,
"volume": 123.63212386992477,
"volume_molar": 7.445300524024429,
"formula_full": "Sr2 Rh2 O6",
"formula_reduced": "SrRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6627519619999995,
"spacegroup": 74
},
{
"id": "jvasp-96784",
"created_at": "2022-09-04T14:36:01.395253Z",
"updated_at": "2022-09-04T14:36:01.395273Z",
"structure_string": "Sr8 Rh4 F28\n1.0\n5.526801 0.011828 0.000000\n-0.129647 8.670283 0.000000\n0.000000 0.000000 11.735853\nSr Rh F\n8 4 28\ndirect\n0.773984 0.845581 0.559642 Sr\n0.226015 0.654418 0.059642 Sr\n0.226015 0.154419 0.440357 Sr\n0.773984 0.345581 0.940357 Sr\n0.234983 0.554792 0.707742 Sr\n0.765016 0.945208 0.207742 Sr\n0.765017 0.445208 0.292258 Sr\n0.234983 0.054792 0.792258 Sr\n0.687963 0.320835 0.632556 Rh\n0.312037 0.179165 0.132557 Rh\n0.687963 0.820835 0.867443 Rh\n0.312036 0.679165 0.367443 Rh\n0.761982 0.043100 0.835359 F\n0.418872 0.396977 0.101345 F\n0.238017 0.956900 0.164641 F\n0.761982 0.543099 0.664641 F\n0.238018 0.456900 0.335359 F\n0.010723 0.212617 0.226739 F\n0.514411 0.687010 0.223694 F\n0.514411 0.187010 0.276306 F\n0.485588 0.312990 0.776306 F\n0.989277 0.287383 0.726739 F\n0.581127 0.103023 0.601345 F\n0.485588 0.812990 0.723693 F\n0.581127 0.603023 0.898655 F\n0.866754 0.824498 0.015697 F\n0.617179 0.126045 0.053966 F\n0.382820 0.373955 0.553966 F\n0.382820 0.873955 0.946034 F\n0.617179 0.626045 0.446034 F\n0.010722 0.712617 0.273261 F\n0.133245 0.675501 0.515697 F\n0.133245 0.175501 0.984303 F\n0.866755 0.324499 0.484303 F\n0.894101 0.489114 0.105448 F\n0.105898 0.010886 0.605448 F\n0.105898 0.510885 0.894551 F\n0.894101 0.989114 0.394552 F\n0.418872 0.896977 0.398655 F\n0.989277 0.787383 0.773261 F\n",
"nsites": 40,
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"elements": [
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"Rh",
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],
"chemical_system": "F-Rh-Sr",
"density": 4.85575944417291,
"density_atomic": 0.07112533614054221,
"volume": 562.3875002989204,
"volume_molar": 8.466941721161602,
"formula_full": "Sr8 Rh4 F28",
"formula_reduced": "Sr2RhF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-16200",
"created_at": "2022-09-04T14:36:31.011192Z",
"updated_at": "2022-09-04T14:36:31.011212Z",
"structure_string": "Sr1 Rh1 F6\n1.0\n4.745710 -0.001466 -0.679219\n-0.783147 4.680646 -0.679219\n-0.001241 -0.001466 4.794069\nSr Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.708671 0.708672 0.070598 F\n0.708672 0.070597 0.708672 F\n0.291328 0.929402 0.291328 F\n0.291328 0.291328 0.929402 F\n0.929402 0.291328 0.291328 F\n0.070598 0.708672 0.708672 F\n",
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],
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"density": 4.74907276691597,
"density_atomic": 0.075134553929052,
"volume": 106.47564378374076,
"volume_molar": 8.015141429716323,
"formula_full": "Sr1 Rh1 F6",
"formula_reduced": "SrRhF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0286159007812499,
"spacegroup": 166
},
{
"id": "jvasp-36687",
"created_at": "2022-09-04T14:37:49.432428Z",
"updated_at": "2022-09-04T14:37:49.432440Z",
"structure_string": "Sr4 Re4 N12\n1.0\n-3.178809 5.156836 -1.300981\n0.061982 -0.044241 -7.570037\n-5.543808 -5.137937 0.423155\nSr Re N\n4 4 12\ndirect\n0.750000 0.319524 0.319525 Sr\n0.750000 0.909080 0.909081 Sr\n0.250000 0.090919 0.090919 Sr\n0.250000 0.680475 0.680476 Sr\n0.755571 0.377073 0.797322 Re\n0.744430 0.797322 0.377074 Re\n0.255570 0.202678 0.622927 Re\n0.244430 0.622927 0.202678 Re\n0.164733 0.767080 0.013450 N\n0.502459 0.323014 0.629134 N\n0.497542 0.676986 0.370867 N\n0.835267 0.232920 0.986551 N\n0.664734 0.986550 0.232921 N\n0.337222 0.402554 0.127533 N\n0.837223 0.872466 0.597446 N\n-0.002459 0.629134 0.323014 N\n0.162778 0.127533 0.402554 N\n0.335267 0.013449 0.767080 N\n0.662778 0.597446 0.872467 N\n0.002459 0.370866 0.676986 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Re",
"N"
],
"chemical_system": "N-Re-Sr",
"density": 6.157425812920305,
"density_atomic": 0.05870068931688445,
"volume": 340.71150156404167,
"volume_molar": 10.259063104848094,
"formula_full": "Sr4 Re4 N12",
"formula_reduced": "SrReN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.520422811999999,
"spacegroup": 15
},
{
"id": "jvasp-93702",
"created_at": "2022-09-04T14:36:16.311081Z",
"updated_at": "2022-09-04T14:36:16.311091Z",
"structure_string": "Sr1 Pu1 O4\n1.0\n3.790777 0.026195 5.352072\n1.722485 3.376940 5.352072\n0.042438 0.026195 6.558419\nSr Pu O\n1 1 4\ndirect\n0.500001 0.500001 0.499998 Sr\n0.000000 0.000000 0.000000 Pu\n0.107098 0.107098 0.107098 O\n0.892903 0.892905 0.892899 O\n0.358586 0.358586 0.358584 O\n0.641416 0.641417 0.641412 O\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "O-Pu-Sr",
"density": 7.952397397619758,
"density_atomic": 0.0726314347862286,
"volume": 82.60885961649265,
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"formula_full": "Sr1 Pu1 O4",
"formula_reduced": "SrPuO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6359833850000003,
"spacegroup": 166
}
]
}