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{
"id": "jvasp-123851",
"created_at": "2022-09-04T14:38:54.583820Z",
"updated_at": "2022-09-04T14:38:54.583847Z",
"structure_string": "Sr1 Bi5\n1.0\n2.283295 -3.954793 0.000000\n2.283295 3.954793 -0.000000\n-0.000000 -0.000000 12.139996\nSr Bi\n1 5\ndirect\n0.000000 0.000000 0.249992 Sr\n0.666665 0.333332 0.067058 Bi\n0.666665 0.333332 0.585339 Bi\n0.333332 0.666665 0.432941 Bi\n0.333332 0.666665 0.914662 Bi\n0.000000 0.000000 0.750008 Bi\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Bi-Sr",
"density": 8.577513751032745,
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"volume": 219.24733429398913,
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"spacegroup": 164
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{
"id": "jvasp-90129",
"created_at": "2022-09-04T14:35:59.350653Z",
"updated_at": "2022-09-04T14:35:59.350669Z",
"structure_string": "Sr1 Br2 O6\n1.0\n-0.184507 -0.106525 -4.310797\n-2.323629 -5.151829 -0.066659\n-3.299801 5.715423 0.000000\nSr Br O\n1 2 6\ndirect\n0.000000 0.000000 0.046503 Sr\n0.686574 0.304196 0.720183 Br\n0.313427 0.695804 0.415987 Br\n0.490855 0.343514 0.257931 O\n0.509146 0.656487 0.914418 O\n0.500000 0.000000 0.747353 O\n0.038889 0.633005 0.554197 O\n0.961112 0.366995 0.921193 O\n0.000000 0.000000 0.422236 O\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Br-O-Sr",
"density": 4.371908877099585,
"density_atomic": 0.06899750160791474,
"volume": 130.4395056380941,
"volume_molar": 8.728056262415734,
"formula_full": "Sr1 Br2 O6",
"formula_reduced": "Sr(BrO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 5
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{
"id": "jvasp-117924",
"created_at": "2022-09-04T14:38:51.783347Z",
"updated_at": "2022-09-04T14:38:51.783373Z",
"structure_string": "Sr1 C1 N1\n1.0\n6.015546 2.233407 0.000000\n2.061969 3.645393 0.000000\n0.000000 0.000000 4.183526\nSr C N\n1 1 1\ndirect\n-0.225639 0.083464 0.000000 Sr\n0.363825 0.083668 0.000000 C\n0.176021 0.083596 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"chemical_system": "C-N-Sr",
"density": 2.6036608896214357,
"density_atomic": 0.041393799155979405,
"volume": 72.47462328102456,
"volume_molar": 14.5484127642101,
"formula_full": "Sr1 C1 N1",
"formula_reduced": "SrCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.044526519999999,
"spacegroup": 38
},
{
"id": "jvasp-117922",
"created_at": "2022-09-04T14:38:50.320940Z",
"updated_at": "2022-09-04T14:38:50.320963Z",
"structure_string": "Sr1 C1 N1\n1.0\n4.288684 0.000000 -0.000000\n-2.144342 3.714110 0.000000\n-0.000000 0.000000 4.179320\nSr C N\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 C\n0.333332 0.666667 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
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],
"chemical_system": "C-N-Sr",
"density": 2.834561938009064,
"density_atomic": 0.04506473482197248,
"volume": 66.57090099057395,
"volume_molar": 13.363311209508659,
"formula_full": "Sr1 C1 N1",
"formula_reduced": "SrCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.828776519999999,
"spacegroup": 187
},
{
"id": "jvasp-1762",
"created_at": "2022-09-04T14:36:16.376186Z",
"updated_at": "2022-09-04T14:36:16.376207Z",
"structure_string": "Sr1 C1 N2\n1.0\n3.724712 0.021954 4.149025\n1.603913 3.361759 4.149025\n0.034573 0.021954 5.575543\nSr C N\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Sr\n0.000000 0.000000 0.000000 C\n0.081018 0.081018 0.081018 N\n0.918981 0.918981 0.918982 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"chemical_system": "C-N-Sr",
"density": 3.074259074979516,
"density_atomic": 0.05801637800300038,
"volume": 68.94604830024267,
"volume_molar": 10.380070192745501,
"formula_full": "Sr1 C1 N2",
"formula_reduced": "SrCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6958707025,
"spacegroup": 166
},
{
"id": "jvasp-104926",
"created_at": "2022-09-04T14:36:55.635408Z",
"updated_at": "2022-09-04T14:36:55.635442Z",
"structure_string": "Sr1 C1 O3\n1.0\n4.136810 -0.033326 1.279066\n0.933727 4.030194 1.279066\n-0.042278 -0.033326 4.329829\nSr C O\n1 1 3\ndirect\n0.500000 0.499999 0.500001 Sr\n0.000000 0.000000 0.000000 C\n0.748874 0.251125 0.000001 O\n0.000001 0.748873 0.251127 O\n0.251126 -0.000001 0.748875 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"chemical_system": "C-O-Sr",
"density": 3.3729834277686037,
"density_atomic": 0.06879608596348487,
"volume": 72.67855329231763,
"volume_molar": 8.753609563189965,
"formula_full": "Sr1 C1 O3",
"formula_reduced": "SrCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.228547362,
"spacegroup": 155
},
{
"id": "jvasp-8012",
"created_at": "2022-09-04T14:36:50.655421Z",
"updated_at": "2022-09-04T14:36:50.655445Z",
"structure_string": "Sr1 C2\n1.0\n3.622059 -0.000000 -1.898672\n-0.995277 3.482633 -1.898672\n0.030332 0.040214 4.462064\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.407550 0.407549 0.815100 C\n0.592449 0.592449 0.184898 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"chemical_system": "C-Sr",
"density": 3.261582820865396,
"density_atomic": 0.052780718052004995,
"volume": 56.83893873978924,
"volume_molar": 11.409736324667595,
"formula_full": "Sr1 C2",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-36235",
"created_at": "2022-09-04T14:37:11.445859Z",
"updated_at": "2022-09-04T14:37:11.445878Z",
"structure_string": "Sr1 C2\n1.0\n2.491174 1.438280 2.305371\n-2.491174 1.438280 2.305371\n0.000000 -2.876560 2.305371\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.591117 0.591117 0.591117 C\n0.408883 0.408883 0.408883 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
"chemical_system": "C-Sr",
"density": 3.740544203363458,
"density_atomic": 0.060531533246917395,
"volume": 49.56094516493644,
"volume_molar": 9.948766266062956,
"formula_full": "Sr1 C2",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.388992103333332,
"spacegroup": 166
},
{
"id": "jvasp-106734",
"created_at": "2022-09-04T14:36:49.688987Z",
"updated_at": "2022-09-04T14:36:49.689016Z",
"structure_string": "Sr1 Ca1\n1.0\n3.855092 -0.002116 5.794590\n1.749879 3.435063 5.794590\n-0.003455 -0.002116 6.959812\nSr Ca\n1 1\ndirect\n0.500000 0.499998 0.500001 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.297731494290266,
"density_atomic": 0.021671854676005856,
"volume": 92.2855948371744,
"volume_molar": 27.787842111489677,
"formula_full": "Sr1 Ca1",
"formula_reduced": "SrCa",
"formula_anonymous": "AB",
"energy_above_hull": 0.16678125,
"spacegroup": 166
},
{
"id": "jvasp-104924",
"created_at": "2022-09-04T14:36:56.185828Z",
"updated_at": "2022-09-04T14:36:56.185852Z",
"structure_string": "Sr1 Ca1\n1.0\n4.001410 0.593015 0.000000\n-0.605693 3.999510 0.000000\n-0.000000 -0.000000 5.642201\nSr Ca\n1 1\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.2968112643886105,
"density_atomic": 0.021663175207257336,
"volume": 92.32256956173184,
"volume_molar": 27.798975461282033,
"formula_full": "Sr1 Ca1",
"formula_reduced": "SrCa",
"formula_anonymous": "AB",
"energy_above_hull": 0.16250125,
"spacegroup": 123
},
{
"id": "jvasp-80871",
"created_at": "2022-09-04T14:37:09.543886Z",
"updated_at": "2022-09-04T14:37:09.543913Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-12.452187 2.380669 -3.301667\n-9.252249 0.244247 0.417955\n-7.704697 4.621401 -2.262495\nSr Ca Ag\n1 1 2\ndirect\n0.500001 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.749487 0.000249 0.000248 Ag\n0.250514 -0.000250 -0.000249 Ag\n",
"nsites": 4,
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"elements": [
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"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Sr",
"density": 5.261310440559481,
"density_atomic": 0.03690294515174513,
"volume": 108.3924327327257,
"volume_molar": 16.31886218088264,
"formula_full": "Sr1 Ca1 Ag2",
"formula_reduced": "SrCaAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101113",
"created_at": "2022-09-04T14:36:55.523982Z",
"updated_at": "2022-09-04T14:36:55.524003Z",
"structure_string": "Sr1 Ca1 Al4\n1.0\n4.999904 -0.000000 2.886696\n1.666635 4.713955 2.886696\n0.000000 -0.000000 5.773392\nSr Ca Al\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Sr\n0.749999 0.749999 0.750002 Ca\n0.625603 0.124799 0.124800 Al\n0.124799 0.625603 0.124800 Al\n0.124799 0.124799 0.625604 Al\n0.124799 0.124799 0.124799 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Al-Ca-Sr",
"density": 2.875350302710523,
"density_atomic": 0.04409335105895748,
"volume": 136.07493773783182,
"volume_molar": 13.657707149424322,
"formula_full": "Sr1 Ca1 Al4",
"formula_reduced": "SrCaAl4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
}
]
}