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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=963",
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"results": [
{
"id": "jvasp-117057",
"created_at": "2022-09-04T14:38:48.221941Z",
"updated_at": "2022-09-04T14:38:48.221969Z",
"structure_string": "Sr6 Zr6 N10\n1.0\n5.908171 0.008828 -1.194319\n-2.515188 7.449002 -2.904621\n0.028110 -0.035135 9.021639\nSr Zr N\n6 6 10\ndirect\n0.746612 0.438958 0.591817 Sr\n0.253387 0.561042 0.408184 Sr\n0.645801 0.800642 0.898589 Sr\n0.354199 0.199358 0.101412 Sr\n0.728857 0.687080 0.253361 Sr\n0.271142 0.312921 0.746640 Sr\n0.891442 0.132783 0.297614 Zr\n0.332124 0.013292 0.358981 Zr\n0.108557 0.867218 0.702387 Zr\n0.123589 0.684122 0.005614 Zr\n0.876410 0.315879 0.994387 Zr\n0.667876 0.986708 0.641019 Zr\n0.180700 0.666295 0.776528 N\n0.995282 0.093601 0.843779 N\n0.004717 0.906399 0.156222 N\n0.731040 0.737493 0.562928 N\n0.268960 0.262508 0.437072 N\n0.763872 0.502117 0.913325 N\n0.236128 0.497884 0.086675 N\n0.271320 0.899055 0.524413 N\n0.728680 0.100945 0.475587 N\n0.819300 0.333705 0.223472 N\n",
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{
"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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],
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"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-27488",
"created_at": "2022-09-04T14:38:11.431136Z",
"updated_at": "2022-09-04T14:38:11.431164Z",
"structure_string": "Sr6 Zn2 Pt2 O12\n1.0\n6.732853 0.026546 -0.189587\n-0.195747 6.730060 -0.189587\n0.025685 0.026546 6.735473\nSr Zn Pt O\n6 2 2 12\ndirect\n0.885634 0.250001 0.614365 Sr\n0.385634 0.114366 0.749999 Sr\n0.749999 0.385635 0.114365 Sr\n0.114365 0.750000 0.385634 Sr\n0.614365 0.885635 0.249999 Sr\n0.249999 0.614366 0.885634 Sr\n0.749999 0.750001 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500001 0.499999 Pt\n0.000000 0.000000 0.000000 Pt\n0.960074 0.093038 0.287388 O\n0.593036 0.460076 0.787388 O\n0.212611 0.406963 0.539924 O\n0.539924 0.212612 0.406962 O\n0.406962 0.539925 0.212611 O\n0.906962 0.712612 0.039924 O\n0.039924 0.906963 0.712610 O\n0.712610 0.039926 0.906962 O\n0.787388 0.593038 0.460074 O\n0.460074 0.787389 0.593036 O\n0.287388 0.960075 0.093037 O\n0.093036 0.287389 0.960074 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "O-Pt-Sr-Zn",
"density": 6.737252084085985,
"density_atomic": 0.07205940369037127,
"volume": 305.3036643840516,
"volume_molar": 8.357189279384352,
"formula_full": "Sr6 Zn2 Pt2 O12",
"formula_reduced": "Sr3ZnPtO6",
"formula_anonymous": "ABC3D6",
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},
{
"id": "jvasp-21417",
"created_at": "2022-09-04T14:36:53.395438Z",
"updated_at": "2022-09-04T14:36:53.395455Z",
"structure_string": "Sr6 Zn2 Ir2 O12\n1.0\n6.730047 0.035891 -0.193457\n-0.200125 6.727167 -0.193457\n0.034654 0.035891 6.732738\nSr Zn Ir O\n6 2 2 12\ndirect\n0.613751 0.886249 0.249999 Sr\n0.249999 0.613752 0.886248 Sr\n0.886248 0.250000 0.613751 Sr\n0.386248 0.113752 0.750000 Sr\n0.750000 0.386248 0.113751 Sr\n0.113751 0.750000 0.386248 Sr\n0.749999 0.750000 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.093921 0.286199 0.959533 O\n0.786199 0.593921 0.459532 O\n0.540467 0.213801 0.406078 O\n0.406078 0.540467 0.213800 O\n0.213800 0.406079 0.540467 O\n0.713801 0.040467 0.906079 O\n0.906079 0.713801 0.040466 O\n0.040466 0.906079 0.713801 O\n0.459532 0.786199 0.593921 O\n0.593921 0.459533 0.786199 O\n0.959533 0.093921 0.286199 O\n0.286199 0.959533 0.093921 O\n",
"nsites": 22,
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"elements": [
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"volume": 304.9603272762083,
"volume_molar": 8.347790986695426,
"formula_full": "Sr6 Zn2 Ir2 O12",
"formula_reduced": "Sr3ZnIrO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-116546",
"created_at": "2022-09-04T14:38:43.456295Z",
"updated_at": "2022-09-04T14:38:43.456319Z",
"structure_string": "Sr6 Zn2 Co2 O12\n1.0\n6.594155 0.017415 -0.293067\n-0.307152 6.587021 -0.293067\n0.016578 0.017415 6.600645\nSr Zn Co O\n6 2 2 12\ndirect\n0.884659 0.615341 0.249999 Sr\n0.250001 0.884657 0.615341 Sr\n0.615343 0.249999 0.884657 Sr\n0.750001 0.115341 0.384657 Sr\n0.384658 0.750000 0.115342 Sr\n0.115343 0.384657 0.749999 Sr\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.749999 Zn\n0.500001 0.499999 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.087505 0.958431 0.276401 O\n0.458432 0.587504 0.776401 O\n0.587506 0.776401 0.458431 O\n0.776403 0.458431 0.587504 O\n0.041569 0.723597 0.912494 O\n0.223598 0.541568 0.412494 O\n0.912496 0.041567 0.723597 O\n0.541569 0.412495 0.223597 O\n0.412496 0.223597 0.541568 O\n0.276403 0.087504 0.958431 O\n0.723599 0.912494 0.041568 O\n0.958432 0.276401 0.087504 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Co-O-Sr-Zn",
"density": 5.595192362963446,
"density_atomic": 0.07670663777645273,
"volume": 286.8069913859987,
"volume_molar": 7.850873059448144,
"formula_full": "Sr6 Zn2 Co2 O12",
"formula_reduced": "Sr3ZnCoO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-109597",
"created_at": "2022-09-04T14:38:18.922671Z",
"updated_at": "2022-09-04T14:38:18.922697Z",
"structure_string": "Sr3 Zn1\n1.0\n5.393564 -0.000000 0.000000\n0.000000 5.393564 0.000000\n-0.000000 -0.000000 5.393564\nSr Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zn\n",
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"density": 3.4741731563741363,
"density_atomic": 0.02549367717271959,
"volume": 156.90164949136255,
"volume_molar": 23.62209546782919,
"formula_full": "Sr3 Zn1",
"formula_reduced": "Sr3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"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,
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"elements": [
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"density_atomic": 0.06951697393486773,
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"formula_full": "Sr6 Y2 Rh2 O12",
"formula_reduced": "Sr3YRhO6",
"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",
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"volume": 310.7965731397898,
"volume_molar": 8.507548687152042,
"formula_full": "Sr6 Yb2 Rh2 O12",
"formula_reduced": "Sr3YbRhO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-102129",
"created_at": "2022-09-04T14:36:42.187199Z",
"updated_at": "2022-09-04T14:36:42.187229Z",
"structure_string": "Sr6 Yb2\n1.0\n8.209185 0.000000 -0.000000\n-4.104593 7.109363 0.000000\n-0.000000 0.000000 6.740644\nYb Sr\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.168008 0.336017 0.250000 Sr\n0.663983 0.831991 0.250000 Sr\n0.168009 0.831991 0.250000 Sr\n0.831991 0.663983 0.750000 Sr\n0.336017 0.168008 0.750000 Sr\n0.831991 0.168008 0.750000 Sr\n",
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"density_atomic": 0.02033564086662671,
"volume": 393.3979780853125,
"volume_molar": 29.61372498411434,
"formula_full": "Sr6 Yb2",
"formula_reduced": "Sr3Yb",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-37638",
"created_at": "2022-09-04T14:38:05.435858Z",
"updated_at": "2022-09-04T14:38:05.435881Z",
"structure_string": "Sr3 Yb1\n1.0\n0.000000 4.578885 4.578885\n4.578885 -0.000000 4.578885\n4.578885 4.578885 0.000000\nYb Sr\n1 3\ndirect\n0.749999 0.749999 0.749999 Yb\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.250000 0.250000 0.250000 Sr\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.769873366602158,
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"volume": 192.00352604505056,
"volume_molar": 28.906806506490515,
"formula_full": "Sr3 Yb1",
"formula_reduced": "Sr3Yb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119685",
"created_at": "2022-09-04T14:38:36.794301Z",
"updated_at": "2022-09-04T14:38:36.794334Z",
"structure_string": "Sr6 Y4 N8\n1.0\n7.643741 0.032064 -0.172939\n-7.274635 7.602826 -0.000001\n-0.039065 -0.037379 6.457171\nSr Y N\n6 4 8\ndirect\n0.222161 0.919956 0.077929 Sr\n0.777838 0.697794 0.422071 Sr\n0.777837 0.080044 0.922071 Sr\n0.222161 0.302206 0.577929 Sr\n-0.000001 0.588148 0.750000 Sr\n-0.000000 0.411852 0.250000 Sr\n0.525373 0.369082 0.091526 Y\n0.474626 0.843709 0.408474 Y\n0.525372 0.156290 0.591526 Y\n0.474626 0.630918 0.908473 Y\n0.379317 0.769943 0.063484 N\n0.213750 0.867665 0.498750 N\n0.786249 0.653913 0.001250 N\n0.786249 0.132335 0.501250 N\n0.213750 0.346087 0.998750 N\n0.620681 0.230057 0.936516 N\n0.379317 0.609375 0.563484 N\n0.620682 0.390625 0.436516 N\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.379478698357608,
"density_atomic": 0.047788454097285986,
"volume": 376.6600184085524,
"volume_molar": 12.601664719558299,
"formula_full": "Sr6 Y4 N8",
"formula_reduced": "Sr3Y2N4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.1269103144444443,
"spacegroup": 15
},
{
"id": "jvasp-116651",
"created_at": "2022-09-04T14:38:52.762509Z",
"updated_at": "2022-09-04T14:38:52.762543Z",
"structure_string": "Sr3 Y2 Fe1 Cu3 Bi1 O12\n1.0\n5.197146 0.000000 1.404768\n-0.000000 5.382775 0.000000\n0.004099 -0.000000 10.301022\nSr Y Fe Cu Bi O\n3 2 1 3 1 12\ndirect\n0.178210 0.000000 0.643580 Sr\n0.821520 0.000000 0.356960 Sr\n0.322143 0.500000 0.355716 Sr\n0.503866 0.500000 0.992270 Y\n0.001070 0.000000 0.997861 Y\n0.406013 0.000000 0.187974 Fe\n0.585804 0.000000 0.828393 Cu\n0.085472 0.500000 0.829058 Cu\n0.916372 0.500000 0.167256 Cu\n0.689601 0.500000 0.620801 Bi\n0.699569 0.000000 0.600863 O\n0.199846 0.500000 0.600308 O\n0.181992 0.755647 0.148497 O\n0.669511 0.244353 0.148497 O\n0.669511 0.755647 0.148497 O\n0.318206 0.247912 0.859244 O\n0.318206 0.752088 0.859244 O\n0.822551 0.247912 0.859244 O\n0.822551 0.752088 0.859244 O\n0.308715 0.000000 0.382571 O\n0.181992 0.244353 0.148497 O\n0.797289 0.500000 0.405422 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Bi-Cu-Fe-O-Sr-Y",
"density": 6.270819474765805,
"density_atomic": 0.07635156368603953,
"volume": 288.1407915948496,
"volume_molar": 7.887383662190951,
"formula_full": "Sr3 Y2 Fe1 Cu3 Bi1 O12",
"formula_reduced": "Sr3Y2FeCu3BiO12",
"formula_anonymous": "ABC2D3E3F12",
"energy_above_hull": 1.983299226363636,
"spacegroup": 38
}
]
}