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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=902",
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"results": [
{
"id": "jvasp-52989",
"created_at": "2022-09-04T14:36:47.692461Z",
"updated_at": "2022-09-04T14:36:47.692482Z",
"structure_string": "Sr3 Mn4 O12\n1.0\n2.711445 -4.696361 -0.000000\n2.711445 4.696361 0.000000\n-0.000000 0.000000 9.113668\nSr Mn O\n3 4 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.333334 0.666668 0.240514 Sr\n0.666668 0.333334 0.759486 Sr\n0.333334 0.666668 0.893046 Mn\n0.333334 0.666668 0.614463 Mn\n0.666668 0.333334 0.385537 Mn\n0.666668 0.333334 0.106955 Mn\n0.816927 0.633853 0.251429 O\n0.500000 0.000000 0.000000 O\n0.366149 0.183075 0.251429 O\n0.500001 0.500001 0.500000 O\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.500000 O\n0.183075 0.366149 0.748571 O\n0.816926 0.183076 0.251429 O\n0.183076 0.816926 0.748571 O\n0.000000 0.500000 0.500000 O\n0.633853 0.816927 0.748571 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 19,
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"elements": [
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"density": 4.826287272482591,
"density_atomic": 0.08185931935300624,
"volume": 232.10552140148275,
"volume_molar": 7.356695373962745,
"formula_full": "Sr3 Mn4 O12",
"formula_reduced": "Sr3Mn4O12",
"formula_anonymous": "A3B4C12",
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"spacegroup": 164
},
{
"id": "jvasp-59576",
"created_at": "2022-09-04T14:36:59.185481Z",
"updated_at": "2022-09-04T14:36:59.185502Z",
"structure_string": "Sr3 Mn2 O7\n1.0\n3.764384 0.000000 -0.698612\n-0.129652 3.762150 -0.698612\n-0.013150 -0.013610 10.420414\nSr Mn O\n3 2 7\ndirect\n0.499999 0.500000 0.000000 Sr\n0.316991 0.316993 0.633983 Sr\n0.683009 0.683007 0.366015 Sr\n0.097037 0.097037 0.194074 Mn\n0.902962 0.902963 0.805926 Mn\n0.904502 0.404504 0.809007 O\n0.404504 0.904504 0.809007 O\n0.095498 0.595496 0.190993 O\n0.595496 0.095496 0.190993 O\n0.807985 0.807987 0.615972 O\n0.000000 0.000000 0.000000 O\n0.192013 0.192013 0.384028 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.456905226179124,
"density_atomic": 0.08135363587665786,
"volume": 147.50416340572016,
"volume_molar": 7.402423622627398,
"formula_full": "Sr3 Mn2 O7",
"formula_reduced": "Sr3Mn2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.1872948260632183,
"spacegroup": 139
},
{
"id": "jvasp-93388",
"created_at": "2022-09-04T14:35:55.244039Z",
"updated_at": "2022-09-04T14:35:55.244067Z",
"structure_string": "Sr3 Mg3\n1.0\n4.048202 0.000000 -0.000000\n-2.024102 3.505847 -0.000000\n-0.000000 0.000000 16.638978\nSr Mg\n3 3\ndirect\n0.666667 0.333333 0.711072 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.288928 Sr\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.875539 Mg\n0.000000 0.000000 0.124461 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.361107026613386,
"density_atomic": 0.025407940797149215,
"volume": 236.14664596011667,
"volume_molar": 23.701805699561795,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3863647058823529,
"spacegroup": 187
},
{
"id": "jvasp-93389",
"created_at": "2022-09-04T14:35:56.645088Z",
"updated_at": "2022-09-04T14:35:56.645114Z",
"structure_string": "Sr3 Mg3\n1.0\n4.034508 0.000000 -0.000000\n-2.017254 3.493987 0.000000\n-0.000000 0.000000 16.742149\nSr Mg\n3 3\ndirect\n0.000000 -0.000000 0.986683 Sr\n0.666668 0.333333 0.528420 Sr\n0.000000 -0.000000 0.318073 Sr\n0.666668 0.333333 0.820782 Mg\n0.000000 -0.000000 0.693270 Mg\n0.666668 0.333333 0.152772 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3625139783939892,
"density_atomic": 0.025423081045830482,
"volume": 236.00601316511285,
"volume_molar": 23.68769052477871,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.378014705882353,
"spacegroup": 156
},
{
"id": "jvasp-94368",
"created_at": "2022-09-04T14:36:21.244611Z",
"updated_at": "2022-09-04T14:36:21.244634Z",
"structure_string": "Sr3 Mg3\n1.0\n4.020283 0.000000 0.000000\n-2.010142 3.481668 -0.000000\n-0.000000 0.000000 16.824616\nSr Mg\n3 3\ndirect\n0.333333 0.666667 0.166667 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.666667 0.333333 0.833333 Sr\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.333333 Mg\n0.333333 0.666667 0.666667 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Mg-Sr",
"density": 2.367599900504568,
"density_atomic": 0.025477810800317666,
"volume": 235.49904059752222,
"volume_molar": 23.636806188720556,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3707197058823529,
"spacegroup": 166
},
{
"id": "jvasp-11587",
"created_at": "2022-09-04T14:37:13.290664Z",
"updated_at": "2022-09-04T14:37:13.290682Z",
"structure_string": "Sr3 Mg1 Fe2 S2 O5\n1.0\n3.874221 0.000000 -0.000000\n-0.000000 3.874221 0.000000\n-1.937110 -1.937110 13.662099\nSr Mg Fe S O\n3 1 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.636932 0.636932 0.273865 Sr\n0.363068 0.363068 0.726136 Sr\n0.750000 0.250000 0.500000 Mg\n0.069981 0.069981 0.139963 Fe\n0.930019 0.930019 0.860037 Fe\n0.193045 0.193045 0.386091 S\n0.806955 0.806955 0.613909 S\n0.076907 0.576907 0.153814 O\n0.577609 0.077609 0.155218 O\n0.922391 0.422391 0.844782 O\n0.423093 0.923093 0.846186 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
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"Mg",
"Fe",
"S",
"O"
],
"chemical_system": "Fe-Mg-O-S-Sr",
"density": 4.3969175361246675,
"density_atomic": 0.06339531184891463,
"volume": 205.06248208040904,
"volume_molar": 9.499347166793854,
"formula_full": "Sr3 Mg1 Fe2 S2 O5",
"formula_reduced": "Sr3MgFe2S2O5",
"formula_anonymous": "AB2C2D3E5",
"energy_above_hull": 1.7405935753846156,
"spacegroup": 119
},
{
"id": "jvasp-80479",
"created_at": "2022-09-04T14:37:17.633942Z",
"updated_at": "2022-09-04T14:37:17.633961Z",
"structure_string": "Sr3 Mg1\n1.0\n4.158348 0.000000 0.000000\n-2.079174 3.601235 -0.000000\n-0.000000 -0.000000 12.332054\nSr Mg\n3 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.281382 Sr\n0.000000 0.000000 0.718617 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.582099017789966,
"density_atomic": 0.02165969215853267,
"volume": 184.6748315129784,
"volume_molar": 27.80344575501099,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0809861764705882,
"spacegroup": 187
},
{
"id": "jvasp-79000",
"created_at": "2022-09-04T14:36:35.297581Z",
"updated_at": "2022-09-04T14:36:35.297591Z",
"structure_string": "Sr3 Lu1\n1.0\n-2.823874 2.823874 5.569018\n2.823874 -2.823874 5.569018\n2.823874 2.823874 -5.569018\nSr Lu\n3 1\ndirect\n0.749998 0.250000 0.499998 Sr\n0.250000 0.749998 0.499998 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Lu"
],
"chemical_system": "Lu-Sr",
"density": 4.0928176453466225,
"density_atomic": 0.02251804842899755,
"volume": 177.63528720584026,
"volume_molar": 26.74361758741493,
"formula_full": "Sr3 Lu1",
"formula_reduced": "Sr3Lu",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-116544",
"created_at": "2022-09-04T14:38:42.029259Z",
"updated_at": "2022-09-04T14:38:42.029279Z",
"structure_string": "Sr3 Li6 Si3 O12\n1.0\n5.036270 -0.000000 0.000000\n-2.518135 4.361538 0.000000\n-0.000000 -0.000000 12.486220\nSr Li Si O\n3 6 3 12\ndirect\n0.416019 0.000000 0.833333 Sr\n0.583981 0.583981 0.500000 Sr\n0.000000 0.416019 0.166667 Sr\n0.663436 0.591506 0.745896 Li\n0.928071 0.336565 0.412562 Li\n0.408494 0.071930 0.079229 Li\n0.336566 0.928071 0.587438 Li\n0.591506 0.663436 0.254104 Li\n0.071930 0.408495 0.920771 Li\n0.721523 0.721523 -0.000000 Si\n0.000000 0.278478 0.666667 Si\n0.278477 0.000000 0.333333 Si\n0.761055 0.068868 0.003418 O\n0.547927 0.512266 0.106813 O\n0.964341 0.452074 0.773480 O\n0.487735 0.035660 0.440146 O\n0.452075 0.964341 0.226520 O\n0.512266 0.547927 0.893188 O\n0.035660 0.487735 0.559855 O\n0.068869 0.761055 0.996582 O\n0.692188 0.931133 0.663248 O\n0.238946 0.307813 0.329915 O\n0.931133 0.692187 0.336752 O\n0.307813 0.238945 0.670085 O\n",
"nsites": 24,
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"elements": [
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"Li",
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"O"
],
"chemical_system": "Li-O-Si-Sr",
"density": 3.5161114381830068,
"density_atomic": 0.08750474294106961,
"volume": 274.2708474232407,
"volume_molar": 6.882073539780162,
"formula_full": "Sr3 Li6 Si3 O12",
"formula_reduced": "SrLi2SiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.61627111375,
"spacegroup": 152
},
{
"id": "jvasp-56780",
"created_at": "2022-09-04T14:37:14.225012Z",
"updated_at": "2022-09-04T14:37:14.225039Z",
"structure_string": "Sr3 Li4 Ge2 N6\n1.0\n5.895132 -0.004691 -0.076474\n-2.682406 5.249506 -0.076474\n-0.008304 -0.013556 6.331062\nSr Li Ge N\n3 4 2 6\ndirect\n0.811061 0.188939 0.500001 Sr\n0.188939 0.811062 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.182621 0.543512 0.118158 Li\n0.817379 0.456488 0.881844 Li\n0.456488 0.817379 0.881844 Li\n0.543512 0.182621 0.118158 Li\n0.610948 0.610949 0.318630 Ge\n0.389051 0.389051 0.681371 Ge\n0.453990 0.139861 0.803361 N\n0.546010 0.860139 0.196640 N\n0.297020 0.297020 0.367574 N\n0.702980 0.702980 0.632427 N\n0.139862 0.453990 0.803361 N\n0.860138 0.546011 0.196640 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Li",
"Ge",
"N"
],
"chemical_system": "Ge-Li-N-Sr",
"density": 4.408806533153717,
"density_atomic": 0.07659606608392178,
"volume": 195.83251160138417,
"volume_molar": 7.862206334985789,
"formula_full": "Sr3 Li4 Ge2 N6",
"formula_reduced": "Sr3Li4(GeN3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 2.7346633553333333,
"spacegroup": 12
},
{
"id": "jvasp-50394",
"created_at": "2022-09-04T14:36:59.786175Z",
"updated_at": "2022-09-04T14:36:59.786203Z",
"structure_string": "Sr3 Li1 Ta4 O12 F2\n1.0\n0.080990 5.260522 5.260522\n5.341512 0.000000 5.341512\n5.341512 5.341512 0.000000\nSr Li Ta O F\n3 1 4 12 2\ndirect\n0.625000 0.625000 0.125000 Sr\n0.625000 0.125000 0.625000 Sr\n0.625000 0.625000 0.625000 Sr\n0.125000 0.625000 0.625000 Li\n0.125000 0.125000 0.125000 Ta\n0.625000 0.125000 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.190613 0.811388 0.811388 O\n0.799058 0.802383 0.199280 O\n0.190613 0.811388 0.186611 O\n0.799058 0.199280 0.802383 O\n0.190613 0.186611 0.811388 O\n0.059386 0.438611 0.438611 O\n0.059386 0.438611 0.063389 O\n0.450942 0.447616 0.050720 O\n0.059386 0.063389 0.438611 O\n0.799058 0.199280 0.199280 O\n0.450942 0.050720 0.050720 O\n0.450942 0.050720 0.447616 O\n0.445141 0.518286 0.518286 F\n0.804858 0.731714 0.731714 F\n",
"nsites": 22,
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"elements": [
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"Li",
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"F"
],
"chemical_system": "F-Li-O-Sr-Ta",
"density": 6.821047282653129,
"density_atomic": 0.0738569755051677,
"volume": 297.87301537226745,
"volume_molar": 8.153787396261084,
"formula_full": "Sr3 Li1 Ta4 O12 F2",
"formula_reduced": "Sr3LiTa4(O6F)2",
"formula_anonymous": "AB2C3D4E12",
"energy_above_hull": 2.9991699225,
"spacegroup": 166
},
{
"id": "jvasp-78999",
"created_at": "2022-09-04T14:36:35.176994Z",
"updated_at": "2022-09-04T14:36:35.177008Z",
"structure_string": "Sr3 Li1\n1.0\n-2.774208 2.774208 5.956617\n2.774208 -2.774208 5.956617\n2.774208 2.774208 -5.956617\nSr Li\n3 1\ndirect\n0.750001 0.249999 0.500001 Sr\n0.249999 0.750001 0.500001 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Sr",
"density": 2.4431770770172805,
"density_atomic": 0.02181334578372649,
"volume": 183.3739784652448,
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"formula_full": "Sr3 Li1",
"formula_reduced": "Sr3Li",
"formula_anonymous": "AB3",
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"spacegroup": 139
}
]
}