HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1001",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=999",
"results": [
{
"id": "jvasp-35457",
"created_at": "2022-09-04T14:37:31.926938Z",
"updated_at": "2022-09-04T14:37:31.926950Z",
"structure_string": "Sr2 Cu1 O2 F2\n1.0\n3.990864 0.000000 0.000000\n0.000000 3.990864 0.000000\n-1.995432 -1.995432 6.422503\nSr Cu O F\n2 1 2 2\ndirect\n0.365615 0.365615 0.731231 Sr\n0.634384 0.634384 0.268769 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.250000 0.749999 0.500000 F\n0.749999 0.250000 0.500000 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O-Sr",
"density": 5.012591894044191,
"density_atomic": 0.06843210003509023,
"volume": 102.29117616455696,
"volume_molar": 8.800169448127413,
"formula_full": "Sr2 Cu1 O2 F2",
"formula_reduced": "Sr2Cu(OF)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0732315192857145,
"spacegroup": 139
},
{
"id": "jvasp-100346",
"created_at": "2022-09-04T14:36:39.128731Z",
"updated_at": "2022-09-04T14:36:39.128757Z",
"structure_string": "Sr2 Cu1 O2 F2\n1.0\n4.181799 -0.001391 -5.564521\n-0.373948 3.644540 -5.918517\n0.028372 0.001391 6.960641\nSr Cu O F\n2 1 2 2\ndirect\n0.651178 0.651178 -0.000000 Sr\n0.351454 0.351454 -0.000000 Sr\n0.999409 0.999409 -0.000000 Cu\n0.764208 0.264208 0.500000 O\n0.003892 0.503893 0.499999 O\n0.235972 0.735972 0.499999 F\n0.493885 0.993886 0.499999 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O-Sr",
"density": 4.805715834822656,
"density_atomic": 0.06560782000616264,
"volume": 106.69459828633964,
"volume_molar": 9.178998417314174,
"formula_full": "Sr2 Cu1 O2 F2",
"formula_reduced": "Sr2Cu(OF)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.1117658050000002,
"spacegroup": 44
},
{
"id": "jvasp-49762",
"created_at": "2022-09-04T14:36:55.355468Z",
"updated_at": "2022-09-04T14:36:55.355498Z",
"structure_string": "Sr2 Cu1 O4\n1.0\n-1.941166 1.941166 6.179071\n1.941166 -1.941166 6.179071\n1.941166 1.941166 -6.179071\nSr Cu O\n2 1 4\ndirect\n0.359361 0.359361 0.000000 Sr\n0.640639 0.640639 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500001 0.000000 0.500001 O\n0.157930 0.157930 0.000000 O\n0.842070 0.842070 0.000000 O\n-0.000000 0.500001 0.500001 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.398497655534619,
"density_atomic": 0.07516047417950011,
"volume": 93.13405851169094,
"volume_molar": 8.012377284392558,
"formula_full": "Sr2 Cu1 O4",
"formula_reduced": "Sr2CuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0260552957142854,
"spacegroup": 139
},
{
"id": "jvasp-15581",
"created_at": "2022-09-04T14:36:46.612471Z",
"updated_at": "2022-09-04T14:36:46.612494Z",
"structure_string": "Sr2 Cu1 O3\n1.0\n3.401487 -0.000000 -0.894424\n-0.296008 3.780250 -1.125716\n-0.010668 -0.022995 6.874559\nSr Cu O\n2 1 3\ndirect\n0.647063 0.147063 0.294127 Sr\n0.352936 0.852936 0.705873 Sr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.000000 O\n0.844821 0.344820 0.689641 O\n0.155179 0.655179 0.310358 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.395234528206829,
"density_atomic": 0.06797625902675641,
"volume": 88.26611063780835,
"volume_molar": 8.859182376643588,
"formula_full": "Sr2 Cu1 O3",
"formula_reduced": "Sr2CuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6603739283333334,
"spacegroup": 71
},
{
"id": "jvasp-26361",
"created_at": "2022-09-04T14:37:44.612598Z",
"updated_at": "2022-09-04T14:37:44.612613Z",
"structure_string": "Sr2 Cu1 I2 O2\n1.0\n3.975406 0.000000 -0.791459\n-0.157571 3.972282 -0.791459\n-0.007158 -0.007447 10.343775\nSr Cu I O\n2 1 2 2\ndirect\n0.416184 0.416183 0.832367 Sr\n0.583812 0.583811 0.167623 Sr\n0.000015 0.000015 0.000030 Cu\n0.170967 0.170967 0.341933 I\n0.829023 0.829022 0.658044 I\n0.500001 0.000001 0.000000 O\n0.000001 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"I",
"O"
],
"chemical_system": "Cu-I-O-Sr",
"density": 5.334530391556715,
"density_atomic": 0.04286689551859309,
"volume": 163.2961733131297,
"volume_molar": 14.048464875157466,
"formula_full": "Sr2 Cu1 I2 O2",
"formula_reduced": "Sr2Cu(IO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.1551360885714288,
"spacegroup": 139
},
{
"id": "jvasp-25664",
"created_at": "2022-09-04T14:38:15.485879Z",
"updated_at": "2022-09-04T14:38:15.485903Z",
"structure_string": "Sr4 Cu2 F12\n1.0\n5.450174 -0.000000 -1.891621\n-0.000000 5.764685 -0.000000\n-0.021323 0.000000 8.735948\nSr Cu F\n4 2 12\ndirect\n0.661764 0.500000 0.323528 Sr\n0.161764 0.000000 0.323528 Sr\n0.838236 0.000000 0.676472 Sr\n0.338236 0.500000 0.676472 Sr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.414156 0.167538 0.162561 F\n0.492733 0.250000 0.500000 F\n0.585843 0.832463 0.837439 F\n0.748404 0.832463 0.162561 F\n0.085844 0.667538 0.837439 F\n0.507266 0.750001 0.500000 F\n0.248404 0.667538 0.162561 F\n0.251596 0.167538 0.837439 F\n0.992733 0.250000 0.500000 F\n0.751595 0.332463 0.837439 F\n0.007267 0.750001 0.500000 F\n0.914156 0.332463 0.162561 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"F"
],
"chemical_system": "Cu-F-Sr",
"density": 4.272191600107349,
"density_atomic": 0.06563637476987107,
"volume": 274.23818062941683,
"volume_molar": 9.175005141759188,
"formula_full": "Sr4 Cu2 F12",
"formula_reduced": "Sr2CuF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-107524",
"created_at": "2022-09-04T14:36:59.153725Z",
"updated_at": "2022-09-04T14:36:59.153760Z",
"structure_string": "Sr2 Cu1 C1 O5\n1.0\n3.682056 -0.000000 0.000000\n0.000000 4.316407 0.000000\n-0.000000 -0.000000 7.476226\nSr Cu C O\n2 1 1 5\ndirect\n0.500000 0.508329 0.771755 Sr\n0.500000 0.508329 0.228245 Sr\n-0.000000 0.004467 -0.000000 Cu\n-0.000000 0.971489 0.500000 C\n0.500000 0.029329 -0.000000 O\n-0.000000 0.525628 -0.000000 O\n-0.000000 0.669149 0.500000 O\n-0.000000 0.112641 0.346940 O\n-0.000000 0.112641 0.653061 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O-Sr",
"density": 4.622864120632741,
"density_atomic": 0.07574383856942336,
"volume": 118.82154601593116,
"volume_molar": 7.95066750476394,
"formula_full": "Sr2 Cu1 C1 O5",
"formula_reduced": "Sr2CuCO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.937035618888889,
"spacegroup": 25
},
{
"id": "jvasp-35241",
"created_at": "2022-09-04T14:38:05.159633Z",
"updated_at": "2022-09-04T14:38:05.159655Z",
"structure_string": "Sr2 Cu1 C1 N2 O2\n1.0\n3.825920 -0.000000 0.000000\n0.000000 3.825920 -0.000000\n0.000000 0.000000 8.122920\nSr Cu C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.712910 Sr\n0.500000 0.500000 0.287090 Sr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.847001 N\n0.000000 0.000000 0.152999 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 8,
"nelements": 5,
"elements": [
"Sr",
"Cu",
"C",
"N",
"O"
],
"chemical_system": "C-Cu-N-O-Sr",
"density": 4.3406882761849435,
"density_atomic": 0.06728310753907239,
"volume": 118.9005724111995,
"volume_molar": 8.9504497938102,
"formula_full": "Sr2 Cu1 C1 N2 O2",
"formula_reduced": "Sr2CuC(NO)2",
"formula_anonymous": "ABC2D2E2",
"energy_above_hull": 2.67722082125,
"spacegroup": 123
},
{
"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": [
"Sr",
"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-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": [
"Sr",
"Cu",
"Cl",
"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-98482",
"created_at": "2022-09-04T14:35:53.299782Z",
"updated_at": "2022-09-04T14:35:53.299800Z",
"structure_string": "Sr2 Cu1 Cl2 O2\n1.0\n3.858918 -0.000000 -0.951349\n-0.234539 3.851784 -0.951349\n0.005732 0.006092 8.325312\nSr Cu Cl O\n2 1 2 2\ndirect\n0.608492 0.608491 0.216984 Sr\n0.391508 0.391507 0.783016 Sr\n0.000000 0.000000 0.000000 Cu\n0.184511 0.184511 0.369023 Cl\n0.815488 0.815487 0.630976 Cl\n0.500000 0.000000 -0.000000 O\n-0.000000 0.499999 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 4.583502156605083,
"density_atomic": 0.056547459338281106,
"volume": 123.78982330796228,
"volume_molar": 10.649710580229682,
"formula_full": "Sr2 Cu1 Cl2 O2",
"formula_reduced": "Sr2Cu(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.2349740292857145,
"spacegroup": 139
},
{
"id": "jvasp-26407",
"created_at": "2022-09-04T14:37:41.991190Z",
"updated_at": "2022-09-04T14:37:41.991205Z",
"structure_string": "Sr2 Cu1 Br1 O2\n1.0\n3.946015 -0.007602 8.943616\n1.879223 3.469815 8.943616\n-0.012790 -0.007602 9.775436\nSr Cu Br O\n2 1 1 2\ndirect\n0.253428 0.253428 0.253429 Sr\n0.746570 0.746572 0.746574 Sr\n0.499999 0.500000 0.500002 Cu\n0.000000 0.000000 0.000000 Br\n0.436147 0.436147 0.436149 O\n0.563851 0.563852 0.563854 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Cu-O-Sr",
"density": 4.328880286096585,
"density_atomic": 0.04460215397538497,
"volume": 134.52265115517244,
"volume_molar": 13.501905677747086,
"formula_full": "Sr2 Cu1 Br1 O2",
"formula_reduced": "Sr2CuBrO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.2106156958333334,
"spacegroup": 166
}
]
}