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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3674",
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"results": [
{
"id": "jvasp-88027",
"created_at": "2022-09-04T14:35:56.713722Z",
"updated_at": "2022-09-04T14:35:56.713743Z",
"structure_string": "Sr6 Cu2 Ir2 O12\n1.0\n6.742267 0.043354 -0.133473\n-0.140490 6.759185 -0.251228\n0.041571 0.046502 6.765024\nSr Cu Ir O\n6 2 2 12\ndirect\n0.750000 0.603280 0.396719 Sr\n0.250000 0.396719 0.603280 Sr\n0.618970 0.743139 0.890333 Sr\n0.881031 0.109665 0.256860 Sr\n0.381030 0.256860 0.109666 Sr\n0.118970 0.890333 0.743139 Sr\n0.250000 0.803682 0.196317 Cu\n0.750000 0.196316 0.803682 Cu\n0.000000 0.500000 -0.000000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.073344 0.432617 0.280191 O\n0.426656 0.719807 0.567382 O\n0.717227 0.399860 0.035311 O\n0.782773 0.964688 0.600139 O\n0.282773 0.600138 0.964689 O\n0.539266 0.902319 0.216233 O\n0.039266 0.216232 0.902319 O\n0.460734 0.097680 0.783767 O\n0.960734 0.783766 0.097680 O\n0.573345 0.280191 0.432618 O\n0.217227 0.035310 0.399861 O\n0.926656 0.567381 0.719808 O\n",
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"elements": [
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"density": 6.617491128918842,
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"volume": 308.4551244293081,
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"formula_full": "Sr6 Cu2 Ir2 O12",
"formula_reduced": "Sr3CuIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6746746799999996,
"spacegroup": 15
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{
"id": "jvasp-21389",
"created_at": "2022-09-04T14:37:07.246892Z",
"updated_at": "2022-09-04T14:37:07.246916Z",
"structure_string": "Sr6 Cu2 Pt2 O12\n1.0\n6.733078 0.033209 -0.124149\n-0.131215 6.781741 -0.264387\n0.032151 0.024720 6.788039\nSr Cu Pt O\n6 2 2 12\ndirect\n0.377631 0.611636 0.758701 Sr\n0.122370 0.241299 0.388364 Sr\n0.622370 0.388364 0.241299 Sr\n0.877631 0.758701 0.611635 Sr\n0.750001 0.899434 0.100566 Sr\n0.250000 0.100566 0.899434 Sr\n0.750000 0.304825 0.695175 Cu\n0.250001 0.695175 0.304824 Cu\n0.000000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.214749 0.896907 0.524721 O\n0.462281 0.283341 0.604206 O\n0.785251 0.103093 0.475279 O\n0.928782 0.216788 0.074361 O\n0.571219 0.925639 0.783212 O\n0.071219 0.783212 0.925639 O\n0.428782 0.074361 0.216788 O\n0.962281 0.604206 0.283341 O\n0.537720 0.716659 0.395794 O\n0.037720 0.395794 0.716659 O\n0.714749 0.524721 0.896907 O\n0.285252 0.475279 0.103092 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Pt",
"O"
],
"chemical_system": "Cu-O-Pt-Sr",
"density": 6.614029676881416,
"density_atomic": 0.07095488984152203,
"volume": 310.0561504518867,
"volume_molar": 8.487280825113633,
"formula_full": "Sr6 Cu2 Pt2 O12",
"formula_reduced": "Sr3CuPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.4567337981818178,
"spacegroup": 15
},
{
"id": "jvasp-55278",
"created_at": "2022-09-04T14:38:15.048982Z",
"updated_at": "2022-09-04T14:38:15.049011Z",
"structure_string": "Sr6 Dy2 Rh2 O12\n1.0\n6.814803 -0.002654 -0.236975\n-0.245266 6.810388 -0.236975\n-0.002562 -0.002654 6.818921\nSr Dy Rh O\n6 2 2 12\ndirect\n0.749999 0.380250 0.119750 Sr\n0.119751 0.750001 0.380248 Sr\n0.380249 0.119752 0.750000 Sr\n0.880249 0.250001 0.619750 Sr\n0.250000 0.619752 0.880248 Sr\n0.619750 0.880250 0.249999 Sr\n0.250000 0.250000 0.250000 Dy\n0.749999 0.750001 0.749999 Dy\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500001 0.499999 Rh\n0.089673 0.292147 0.955604 O\n0.792146 0.589674 0.455604 O\n0.544395 0.207855 0.410326 O\n0.410326 0.544396 0.207853 O\n0.207854 0.410327 0.544395 O\n0.707854 0.044396 0.910326 O\n0.910326 0.707855 0.044394 O\n0.044395 0.910327 0.707853 O\n0.455604 0.792147 0.589672 O\n0.589673 0.455606 0.792145 O\n0.955604 0.089674 0.292145 O\n0.292145 0.955605 0.089672 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Dy-O-Rh-Sr",
"density": 6.551231767799278,
"density_atomic": 0.06951839261338116,
"volume": 316.4630132107709,
"volume_molar": 8.662658231313646,
"formula_full": "Sr6 Dy2 Rh2 O12",
"formula_reduced": "Sr3DyRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6212835845454543,
"spacegroup": 167
},
{
"id": "jvasp-102561",
"created_at": "2022-09-04T14:36:47.551928Z",
"updated_at": "2022-09-04T14:36:47.551950Z",
"structure_string": "Sr6 Er2\n1.0\n7.958379 -0.000000 0.000000\n-3.979189 6.892158 0.000000\n-0.000000 -0.000000 6.458713\nSr Er\n6 2\ndirect\n0.171558 0.343116 0.250000 Sr\n0.656884 0.828442 0.250000 Sr\n0.171558 0.828442 0.250000 Sr\n0.828442 0.656884 0.750000 Sr\n0.343116 0.171558 0.750000 Sr\n0.828442 0.171558 0.750000 Sr\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Er-Sr",
"density": 4.032198385610556,
"density_atomic": 0.022582091243384297,
"volume": 354.2630270056897,
"volume_molar": 26.66777268364931,
"formula_full": "Sr6 Er2",
"formula_reduced": "Sr3Er",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-49295",
"created_at": "2022-09-04T14:38:32.893983Z",
"updated_at": "2022-09-04T14:38:32.894010Z",
"structure_string": "Sr6 Er2 Rh2 O12\n1.0\n6.796958 -0.000588 -0.251755\n-0.261230 6.791936 -0.251755\n-0.000565 -0.000588 6.801618\nSr Er Rh O\n6 2 2 12\ndirect\n0.750000 0.380227 0.119774 Sr\n0.119773 0.750000 0.380228 Sr\n0.380228 0.119773 0.750001 Sr\n0.880228 0.250000 0.619774 Sr\n0.250001 0.619773 0.880228 Sr\n0.619773 0.880227 0.250001 Sr\n0.250000 0.250000 0.250000 Er\n0.750001 0.750000 0.750001 Er\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500000 0.500001 Rh\n0.091449 0.292316 0.957639 O\n0.792317 0.591448 0.457640 O\n0.542362 0.207684 0.408553 O\n0.408552 0.542361 0.207685 O\n0.207684 0.408552 0.542362 O\n0.707685 0.042361 0.908553 O\n0.908552 0.707684 0.042363 O\n0.042362 0.908552 0.707685 O\n0.457639 0.792316 0.591449 O\n0.591449 0.457638 0.792317 O\n0.957639 0.091448 0.292317 O\n0.292316 0.957639 0.091449 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Er-O-Rh-Sr",
"density": 6.653160296255144,
"density_atomic": 0.07006586680730578,
"volume": 313.9902637685781,
"volume_molar": 8.59497075310866,
"formula_full": "Sr6 Er2 Rh2 O12",
"formula_reduced": "Sr3ErRhO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-12627",
"created_at": "2022-09-04T14:37:15.258979Z",
"updated_at": "2022-09-04T14:37:15.259016Z",
"structure_string": "Sr3 Fe2 Cl2 O5\n1.0\n3.864390 -0.000090 -0.631805\n-0.103391 3.863005 -0.631803\n0.023376 0.024014 12.276467\nSr Fe Cl O\n3 2 2 5\ndirect\n0.655793 0.655790 0.311600 Sr\n0.344209 0.344207 0.688401 Sr\n0.499998 0.499999 0.000000 Sr\n0.920663 0.920661 0.841318 Fe\n0.079338 0.079337 0.158683 Fe\n0.205079 0.205077 0.410172 Cl\n0.794924 0.794921 0.589829 Cl\n0.912275 0.412272 0.824536 O\n0.412274 0.912272 0.824536 O\n0.087728 0.587726 0.175465 O\n0.000000 0.000000 0.000000 O\n0.587728 0.087727 0.175465 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-Sr",
"density": 4.758015452635203,
"density_atomic": 0.06543711152988295,
"volume": 183.38217747462767,
"volume_molar": 9.20294404689591,
"formula_full": "Sr3 Fe2 Cl2 O5",
"formula_reduced": "Sr3Fe2Cl2O5",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 1.575309630416667,
"spacegroup": 139
},
{
"id": "jvasp-121957",
"created_at": "2022-09-04T14:38:50.242663Z",
"updated_at": "2022-09-04T14:38:50.242696Z",
"structure_string": "Sr6 Fe4 Cl4 O8\n1.0\n5.419472 -0.000128 1.374225\n0.000116 5.591047 0.000064\n-0.057707 -0.000130 11.600454\nSr Fe Cl O\n6 4 4 8\ndirect\n0.499999 0.500000 0.000001 Sr\n-0.000000 0.000000 0.000001 Sr\n0.151417 0.000000 0.697150 Sr\n0.651417 0.500000 0.697150 Sr\n0.348583 0.500000 0.302849 Sr\n0.848582 -0.000000 0.302849 Sr\n0.430710 -0.000000 0.138617 Fe\n0.069289 0.500000 0.861381 Fe\n0.930711 0.500000 0.138618 Fe\n0.569288 -0.000001 0.861383 Fe\n0.703710 1.000000 0.592577 Cl\n0.203710 0.500000 0.592576 Cl\n0.296290 -0.000000 0.407422 Cl\n0.796290 0.500000 0.407423 Cl\n0.173744 0.249998 0.152527 O\n0.826257 0.249999 0.847473 O\n0.326254 0.749996 0.847472 O\n0.326254 0.250004 0.847472 O\n0.826257 0.750001 0.847473 O\n0.673744 0.250003 0.152527 O\n0.173744 0.750003 0.152527 O\n0.673745 0.749997 0.152527 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Cl-Fe-O-Sr",
"density": 4.807409821440315,
"density_atomic": 0.06251008631658965,
"volume": 351.94320303092246,
"volume_molar": 9.633870491715788,
"formula_full": "Sr6 Fe4 Cl4 O8",
"formula_reduced": "Sr3Fe2(ClO2)2",
"formula_anonymous": "A2B2C3D4",
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},
{
"id": "jvasp-9493",
"created_at": "2022-09-04T14:38:31.182009Z",
"updated_at": "2022-09-04T14:38:31.182031Z",
"structure_string": "Sr3 Fe2 Cu2 S2 O5\n1.0\n3.891184 -0.000000 -0.000000\n-0.000000 3.891184 -0.000000\n-1.945592 -1.945592 13.247603\nSr Fe Cu S O\n3 2 2 2 5\ndirect\n0.499999 0.499999 0.000000 Sr\n0.640332 0.640332 0.280665 Sr\n0.359668 0.359668 0.719335 Sr\n0.072050 0.072050 0.144100 Fe\n0.927949 0.927949 0.855900 Fe\n0.250000 0.749999 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.195392 0.195392 0.390783 S\n0.804608 0.804608 0.609217 S\n0.079372 0.579372 0.158745 O\n0.579372 0.079372 0.158745 O\n0.920627 0.420627 0.841255 O\n0.420627 0.920627 0.841255 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cu-Fe-O-S-Sr",
"density": 5.345956869399473,
"density_atomic": 0.06979546352604944,
"volume": 200.5861024875183,
"volume_molar": 8.628269597711583,
"formula_full": "Sr3 Fe2 Cu2 S2 O5",
"formula_reduced": "Sr3Fe2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
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"spacegroup": 139
},
{
"id": "jvasp-57304",
"created_at": "2022-09-04T14:36:38.635921Z",
"updated_at": "2022-09-04T14:36:38.635949Z",
"structure_string": "Sr3 Fe2 Cu2 Se2 O5\n1.0\n3.894940 0.000000 -0.558208\n-0.080000 3.894117 -0.558208\n0.005939 0.006063 13.909169\nSr Fe Cu Se O\n3 2 2 2 5\ndirect\n0.364867 0.364866 0.729733 Sr\n0.500000 0.500000 -0.000000 Sr\n0.635134 0.635134 0.270267 Sr\n0.930240 0.930239 0.860479 Fe\n0.069760 0.069760 0.139521 Fe\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.807873 0.807873 0.615747 Se\n0.192127 0.192127 0.384253 Se\n0.576774 0.076773 0.153546 O\n0.000000 0.000000 0.000000 O\n0.923227 0.423226 0.846454 O\n0.076774 0.576774 0.153546 O\n0.423227 0.923226 0.846454 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.820451910570458,
"density_atomic": 0.06635334433916838,
"volume": 210.99162580921785,
"volume_molar": 9.075866212888277,
"formula_full": "Sr3 Fe2 Cu2 Se2 O5",
"formula_reduced": "Sr3Fe2Cu2Se2O5",
"formula_anonymous": "A2B2C2D3E5",
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"spacegroup": 139
},
{
"id": "jvasp-11814",
"created_at": "2022-09-04T14:37:31.601066Z",
"updated_at": "2022-09-04T14:37:31.601094Z",
"structure_string": "Sr3 Fe2 O5\n1.0\n3.505572 0.000013 -0.578967\n-0.117338 3.810434 -0.710638\n-0.060309 -0.010035 10.538284\nSr Fe O\n3 2 5\ndirect\n0.314660 0.314656 0.629286 Sr\n0.685339 0.685343 0.370713 Sr\n0.500000 0.499999 -0.000000 Sr\n0.094819 0.094825 0.189674 Fe\n0.905181 0.905174 0.810325 Fe\n0.190339 0.190348 0.380725 O\n0.809661 0.809651 0.619273 O\n0.094721 0.594727 0.189478 O\n0.905278 0.405273 0.810520 O\n0.000000 0.000001 0.999999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "Fe-O-Sr",
"density": 5.368025798573165,
"density_atomic": 0.07111917353648914,
"volume": 140.609058046341,
"volume_molar": 8.467675396860761,
"formula_full": "Sr3 Fe2 O5",
"formula_reduced": "Sr3Fe2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.828753743,
"spacegroup": 71
},
{
"id": "jvasp-97343",
"created_at": "2022-09-04T14:35:58.165823Z",
"updated_at": "2022-09-04T14:35:58.165843Z",
"structure_string": "Sr3 Fe2 O7\n1.0\n3.760875 0.000000 -0.708313\n-0.133402 3.758508 -0.708313\n0.007799 0.008081 10.379980\nSr Fe O\n3 2 7\ndirect\n0.682828 0.682827 0.365656 Sr\n0.317172 0.317172 0.634345 Sr\n0.500000 0.500001 0.000000 Sr\n0.904164 0.904165 0.808329 Fe\n0.095836 0.095836 0.191672 Fe\n0.000000 0.000000 0.000000 O\n0.807826 0.807828 0.615655 O\n0.192172 0.192173 0.384346 O\n0.904849 0.404849 0.809700 O\n0.404850 0.904851 0.809700 O\n0.595150 0.095150 0.190301 O\n0.095152 0.595152 0.190301 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Fe-O-Sr",
"density": 5.504837651970536,
"density_atomic": 0.08176226915345862,
"volume": 146.76696383606165,
"volume_molar": 7.365427626154941,
"formula_full": "Sr3 Fe2 O7",
"formula_reduced": "Sr3Fe2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.0396245358333336,
"spacegroup": 139
},
{
"id": "jvasp-52999",
"created_at": "2022-09-04T14:36:54.478737Z",
"updated_at": "2022-09-04T14:36:54.478772Z",
"structure_string": "Sr6 Fe2 N6\n1.0\n3.796580 -6.575871 -0.000000\n3.796580 6.575871 -0.000000\n0.000000 0.000000 5.291808\nSr Fe N\n6 2 6\ndirect\n0.727161 0.639520 0.750000 Sr\n0.639520 0.912360 0.250000 Sr\n0.087640 0.727161 0.250000 Sr\n0.912360 0.272839 0.750000 Sr\n0.360480 0.087640 0.750000 Sr\n0.272839 0.360480 0.250000 Sr\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.688274 0.573253 0.250000 N\n0.573253 0.884979 0.750000 N\n0.115021 0.688274 0.750000 N\n0.884979 0.311726 0.250000 N\n0.426747 0.115021 0.250000 N\n0.311726 0.426747 0.750000 N\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Fe-N-Sr",
"density": 4.533937622598177,
"density_atomic": 0.052984412226504796,
"volume": 264.2286554043658,
"volume_molar": 11.36587254050447,
"formula_full": "Sr6 Fe2 N6",
"formula_reduced": "Sr3FeN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.681782025714286,
"spacegroup": 176
}
]
}