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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=876",
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"results": [
{
"id": "jvasp-54838",
"created_at": "2022-09-04T14:37:43.846302Z",
"updated_at": "2022-09-04T14:37:43.846321Z",
"structure_string": "Sr6 Ga6 N10\n1.0\n5.992450 0.017825 -0.006112\n-0.667785 7.193823 0.006614\n-2.083257 -2.952078 7.952091\nSr Ga N\n6 6 10\ndirect\n0.668093 0.862946 0.873061 Sr\n0.331907 0.137054 0.126938 Sr\n0.183157 0.591191 0.392169 Sr\n0.655501 0.653893 0.201394 Sr\n0.344499 0.346107 0.798605 Sr\n0.816844 0.408809 0.607831 Sr\n0.124726 0.876828 0.716951 Ga\n0.875275 0.123172 0.283049 Ga\n0.908041 0.315486 0.972715 Ga\n0.289840 0.046712 0.432874 Ga\n0.710160 0.953288 0.567125 Ga\n0.091959 0.684514 0.027285 Ga\n0.234994 0.472106 0.095515 N\n0.611487 0.052113 0.380019 N\n0.739102 0.225063 0.107859 N\n0.042834 0.891003 0.223241 N\n0.159173 0.289943 0.474832 N\n0.957167 0.108997 0.776758 N\n0.260899 0.774937 0.892141 N\n0.388514 0.947886 0.619981 N\n0.765006 0.527894 0.904485 N\n0.840828 0.710057 0.525168 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-N-Sr",
"density": 5.249844526961092,
"density_atomic": 0.06415650038960631,
"volume": 342.9114722031209,
"volume_molar": 9.3866416083001,
"formula_full": "Sr6 Ga6 N10",
"formula_reduced": "Sr3Ga3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 2.436551105,
"spacegroup": 2
},
{
"id": "jvasp-9977",
"created_at": "2022-09-04T14:37:18.321803Z",
"updated_at": "2022-09-04T14:37:18.321824Z",
"structure_string": "Sr6 Ga2 O8 F2\n1.0\n6.047642 -0.000000 -3.098023\n-1.587022 5.835695 -3.098023\n0.013522 0.017691 7.478201\nSr Ga O F\n6 2 8 2\ndirect\n0.250000 0.250000 0.500000 Sr\n0.166089 0.666089 0.000000 Sr\n0.333911 0.166089 0.000000 Sr\n0.666089 0.833910 0.000000 Sr\n0.833911 0.333911 0.000000 Sr\n0.750000 0.749999 0.500000 Sr\n0.250000 0.749999 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.495348 0.995347 0.288098 O\n0.995348 0.792749 0.288098 O\n0.292750 0.495348 0.288098 O\n0.004652 0.207250 0.711902 O\n0.707249 0.504652 0.711902 O\n0.504652 0.004652 0.711902 O\n0.207250 0.707249 0.711902 O\n0.792750 0.292750 0.288098 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"O",
"F"
],
"chemical_system": "F-Ga-O-Sr",
"density": 5.21635855145308,
"density_atomic": 0.06803106196030848,
"volume": 264.5850216258829,
"volume_molar": 8.852045795659505,
"formula_full": "Sr6 Ga2 O8 F2",
"formula_reduced": "Sr3GaO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6330339486111113,
"spacegroup": 140
},
{
"id": "jvasp-10094",
"created_at": "2022-09-04T14:37:10.606530Z",
"updated_at": "2022-09-04T14:37:10.606554Z",
"structure_string": "Sr6 Ga2 N6\n1.0\n3.790506 -6.565349 0.000000\n3.790506 6.565349 -0.000000\n-0.000000 -0.000000 5.418132\nSr Ga N\n6 2 6\ndirect\n0.284492 0.357452 0.250000 Sr\n0.357451 0.072961 0.750000 Sr\n0.927040 0.284492 0.750000 Sr\n0.072961 0.715509 0.250000 Sr\n0.642550 0.927040 0.250000 Sr\n0.715509 0.642550 0.750000 Sr\n0.333334 0.666668 0.750000 Ga\n0.666668 0.333334 0.250000 Ga\n0.400142 0.092992 0.250000 N\n0.092992 0.692851 0.750000 N\n0.307150 0.400142 0.750000 N\n0.692851 0.599859 0.250000 N\n0.907009 0.307151 0.250000 N\n0.599859 0.907009 0.750000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 4.613344402837809,
"density_atomic": 0.05191507108321809,
"volume": 269.6712093017936,
"volume_molar": 11.599985580963017,
"formula_full": "Sr6 Ga2 N6",
"formula_reduced": "Sr3GaN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.0550701435714287,
"spacegroup": 176
},
{
"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,
"nelements": 4,
"elements": [
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"Fe",
"Cl",
"O"
],
"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",
"energy_above_hull": 1.440863824090909,
"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,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"N"
],
"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
},
{
"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": [
"Sr",
"Er",
"Rh",
"O"
],
"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",
"energy_above_hull": 1.6149184481818175,
"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": [
"Sr",
"Er"
],
"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-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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"Dy",
"Rh",
"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-85984",
"created_at": "2022-09-04T14:35:57.800987Z",
"updated_at": "2022-09-04T14:35:57.801009Z",
"structure_string": "Sr6 Cu3 Cl3 O6\n1.0\n4.016601 0.000000 0.000000\n-2.008302 3.478480 -0.000000\n0.000000 -0.000000 27.634953\nSr Cu Cl O\n6 3 3 6\ndirect\n0.333078 0.999623 0.576606 Sr\n0.666544 0.666922 0.243273 Sr\n0.333456 0.000377 0.090061 Sr\n0.666923 0.666544 0.756727 Sr\n0.999622 0.333078 0.423394 Sr\n0.000378 0.333456 0.909939 Sr\n0.666869 0.666869 -0.000000 Cu\n0.333131 -0.000000 0.333333 Cu\n0.000000 0.333131 0.666667 Cu\n0.000000 0.333651 0.166667 Cl\n0.666349 0.666349 0.500000 Cl\n0.333651 -0.000000 0.833333 Cl\n0.666778 0.667024 0.065819 O\n0.999753 0.332976 0.600847 O\n0.667024 0.666777 0.934181 O\n0.332976 0.999753 0.399153 O\n0.000247 0.333223 0.732486 O\n0.333222 0.000247 0.267514 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 3.9511381540610433,
"density_atomic": 0.04661928109629504,
"volume": 386.10634005316115,
"volume_molar": 12.91770404515868,
"formula_full": "Sr6 Cu3 Cl3 O6",
"formula_reduced": "Sr2CuClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.2299490229166668,
"spacegroup": 166
},
{
"id": "jvasp-86582",
"created_at": "2022-09-04T14:38:08.813427Z",
"updated_at": "2022-09-04T14:38:08.813453Z",
"structure_string": "Sr6 Cu3 Cl3 O6\n1.0\n4.016557 0.000000 -0.000000\n-2.008279 3.478441 0.000000\n-0.000000 -0.000000 27.634859\nSr Cu Cl O\n6 3 3 6\ndirect\n0.332767 0.999169 0.576609 Sr\n0.666402 0.667233 0.243276 Sr\n0.333598 0.000831 0.090058 Sr\n0.667234 0.666402 0.756724 Sr\n0.999169 0.332767 0.423391 Sr\n0.000831 0.333598 0.909942 Sr\n0.667279 0.667278 0.000000 Cu\n0.332722 -0.000000 0.333333 Cu\n-0.000000 0.332722 0.666667 Cu\n-0.000000 0.334094 0.166667 Cl\n0.665907 0.665906 0.500000 Cl\n0.334094 -0.000000 0.833333 Cl\n0.666930 0.667507 0.065817 O\n0.999423 0.332493 0.600849 O\n0.667507 0.666929 0.934183 O\n0.332493 0.999422 0.399151 O\n0.000578 0.333071 0.732484 O\n0.333071 0.000578 0.267516 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 3.9512391778459803,
"density_atomic": 0.04662047307087142,
"volume": 386.09646823267525,
"volume_molar": 12.917373770200216,
"formula_full": "Sr6 Cu3 Cl3 O6",
"formula_reduced": "Sr2CuClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.2299423562500001,
"spacegroup": 166
},
{
"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": [
"Sr",
"Cu",
"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-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",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Ir",
"O"
],
"chemical_system": "Cu-Ir-O-Sr",
"density": 6.617491128918842,
"density_atomic": 0.07132317882772594,
"volume": 308.4551244293081,
"volume_molar": 8.44345535207549,
"formula_full": "Sr6 Cu2 Ir2 O12",
"formula_reduced": "Sr3CuIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6746746799999996,
"spacegroup": 15
}
]
}