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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=382",
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"results": [
{
"id": "jvasp-119071",
"created_at": "2022-09-04T14:38:52.936319Z",
"updated_at": "2022-09-04T14:38:52.936344Z",
"structure_string": "Te2 Rh4 O12\n1.0\n4.648176 -0.000000 0.000000\n0.000000 4.648176 0.000000\n-0.000000 -0.000000 9.544458\nTe Rh O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.332376 Rh\n0.000000 0.000000 0.667624 Rh\n0.500000 0.500000 0.832376 Rh\n0.500000 0.500000 0.167624 Rh\n0.304326 0.304326 0.668992 O\n0.195675 0.804326 0.168992 O\n0.195675 0.804326 0.831008 O\n0.695675 0.695675 0.331008 O\n0.695675 0.695675 0.668992 O\n0.187892 0.812109 0.500000 O\n0.812109 0.187892 0.500000 O\n0.804326 0.195675 0.168992 O\n0.687893 0.687893 -0.000000 O\n0.312108 0.312108 -0.000000 O\n0.304326 0.304326 0.331008 O\n0.804326 0.195675 0.831008 O\n",
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"formula_full": "Te2 Rh4 O12",
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{
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"created_at": "2022-09-04T14:36:44.087964Z",
"updated_at": "2022-09-04T14:36:44.087978Z",
"structure_string": "Ta1 Rh1 O4\n1.0\n4.663238 -0.002133 0.000000\n-0.052561 4.662942 0.000000\n-0.000000 -0.000000 3.135053\nTa Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Rh\n0.192192 0.807808 0.500000 O\n0.807809 0.192192 0.500000 O\n0.302656 0.302656 -0.000000 O\n0.697345 0.697344 -0.000000 O\n",
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"volume": 68.16952107728203,
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"formula_full": "Ta1 Rh1 O4",
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"spacegroup": 65
},
{
"id": "jvasp-23090",
"created_at": "2022-09-04T14:37:31.331125Z",
"updated_at": "2022-09-04T14:37:31.331144Z",
"structure_string": "Sr6 Zn2 Rh2 O12\n1.0\n6.699790 0.020373 -0.238839\n-0.248230 6.695221 -0.238839\n0.019572 0.020373 6.704016\nSr Zn Rh O\n6 2 2 12\ndirect\n0.884693 0.249999 0.615307 Sr\n0.384693 0.115306 0.750000 Sr\n0.750000 0.384693 0.115307 Sr\n0.115307 0.750000 0.384693 Sr\n0.615307 0.884693 0.250000 Sr\n0.250000 0.615306 0.884693 Sr\n0.750000 0.749999 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.499999 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.091920 0.285638 0.959059 O\n0.785639 0.591920 0.459058 O\n0.540942 0.214361 0.408080 O\n0.408079 0.540941 0.214361 O\n0.214361 0.408079 0.540942 O\n0.714361 0.040941 0.908080 O\n0.908079 0.714361 0.040942 O\n0.040941 0.908079 0.714361 O\n0.459058 0.785638 0.591921 O\n0.591920 0.459058 0.785639 O\n0.959058 0.091920 0.285639 O\n0.285639 0.959058 0.091920 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"chemical_system": "O-Rh-Sr-Zn",
"density": 5.820047734243061,
"density_atomic": 0.07313389522715938,
"volume": 300.8181080970232,
"volume_molar": 8.234404500532587,
"formula_full": "Sr6 Zn2 Rh2 O12",
"formula_reduced": "Sr3ZnRhO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-23047",
"created_at": "2022-09-04T14:38:06.439965Z",
"updated_at": "2022-09-04T14:38:06.439996Z",
"structure_string": "Sr6 Yb2 Rh2 O12\n1.0\n6.772907 0.025505 -0.234436\n-0.243570 6.768574 -0.234436\n0.024512 0.025505 6.776919\nYb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.750000 0.384174 0.115826 Sr\n0.115826 0.750000 0.384173 Sr\n0.384174 0.115827 0.750000 Sr\n0.884174 0.250001 0.615826 Sr\n0.250000 0.615827 0.884173 Sr\n0.615827 0.884174 0.249999 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.499999 Rh\n0.084188 0.286305 0.951489 O\n0.786305 0.584189 0.451489 O\n0.548511 0.213696 0.415812 O\n0.415812 0.548511 0.213695 O\n0.213696 0.415812 0.548510 O\n0.713696 0.048512 0.915812 O\n0.915812 0.713696 0.048510 O\n0.048511 0.915812 0.713695 O\n0.451489 0.786305 0.584187 O\n0.584188 0.451490 0.786304 O\n0.951490 0.084189 0.286304 O\n0.286305 0.951489 0.084187 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"chemical_system": "O-Rh-Sr-Yb",
"density": 6.783301011673562,
"density_atomic": 0.07078585126517743,
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"formula_full": "Sr6 Yb2 Rh2 O12",
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},
{
"id": "jvasp-55255",
"created_at": "2022-09-04T14:38:37.017142Z",
"updated_at": "2022-09-04T14:38:37.017158Z",
"structure_string": "Sr6 Y2 Rh2 O12\n1.0\n6.814586 0.004959 -0.239881\n-0.248648 6.810050 -0.239881\n0.004778 0.004959 6.818805\nSr Y Rh O\n6 2 2 12\ndirect\n0.250000 0.619773 0.880226 Sr\n0.380227 0.119773 0.750000 Sr\n0.750000 0.380227 0.119773 Sr\n0.119773 0.750000 0.380227 Sr\n0.619773 0.880227 0.250000 Sr\n0.880227 0.250000 0.619773 Sr\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.089662 0.292131 0.955910 O\n0.792132 0.589662 0.455911 O\n0.544089 0.207869 0.410338 O\n0.410338 0.544089 0.207869 O\n0.207869 0.410338 0.544089 O\n0.707869 0.044089 0.910338 O\n0.910339 0.707869 0.044089 O\n0.044089 0.910338 0.707868 O\n0.455911 0.792131 0.589661 O\n0.589662 0.455911 0.792131 O\n0.955912 0.089662 0.292131 O\n0.292131 0.955911 0.089662 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"O"
],
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"density": 5.778790019256942,
"density_atomic": 0.06951697393486773,
"volume": 316.46947147918684,
"volume_molar": 8.662835015865767,
"formula_full": "Sr6 Y2 Rh2 O12",
"formula_reduced": "Sr3YRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7860298527272722,
"spacegroup": 167
},
{
"id": "jvasp-55288",
"created_at": "2022-09-04T14:38:09.196132Z",
"updated_at": "2022-09-04T14:38:09.196156Z",
"structure_string": "Sr6 Tb2 Rh2 O12\n1.0\n6.823463 -0.005498 -0.227643\n-0.235182 6.819411 -0.227643\n-0.005316 -0.005498 6.827257\nTb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.749999 0.750001 Tb\n0.750000 0.380241 0.119760 Sr\n0.119759 0.750000 0.380242 Sr\n0.380240 0.119759 0.750000 Sr\n0.880240 0.249999 0.619760 Sr\n0.249999 0.619759 0.880242 Sr\n0.619759 0.880241 0.250001 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n0.088850 0.292044 0.954623 O\n0.792043 0.588850 0.454623 O\n0.545378 0.207956 0.411150 O\n0.411150 0.545378 0.207957 O\n0.207956 0.411149 0.545378 O\n0.707955 0.045377 0.911150 O\n0.911150 0.707956 0.045379 O\n0.045378 0.911149 0.707957 O\n0.454622 0.792043 0.588851 O\n0.588850 0.454621 0.792045 O\n0.954621 0.088850 0.292044 O\n0.292044 0.954622 0.088851 O\n",
"nsites": 22,
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"elements": [
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"density": 6.489173662813764,
"density_atomic": 0.06925643945442643,
"volume": 317.6599919560823,
"volume_molar": 8.695423569909071,
"formula_full": "Sr6 Tb2 Rh2 O12",
"formula_reduced": "Sr3TbRhO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"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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"volume": 327.0079031955142,
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"formula_full": "Sr8 Rh2 O12",
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"spacegroup": 167
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{
"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",
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"density": 6.407362581212275,
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"volume": 123.63212386992477,
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"formula_full": "Sr2 Rh2 O6",
"formula_reduced": "SrRhO3",
"formula_anonymous": "ABC3",
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"spacegroup": 74
},
{
"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",
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"density": 6.422648947569093,
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"formula_full": "Sr2 Rh2 O6",
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"spacegroup": 140
},
{
"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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],
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"density": 5.94864084614267,
"density_atomic": 0.07275303511665597,
"volume": 357.37340659823,
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"formula_full": "Sr6 Rh5 O15",
"formula_reduced": "Sr6(RhO3)5",
"formula_anonymous": "A5B6C15",
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"spacegroup": 155
},
{
"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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"formula_full": "Sr1 Rh1 O3",
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"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",
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"volume": 97.04330692303985,
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"formula_full": "Sr2 Rh1 O4",
"formula_reduced": "Sr2RhO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 139
}
]
}