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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1516",
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"results": [
{
"id": "jvasp-16631",
"created_at": "2022-09-04T14:37:49.153570Z",
"updated_at": "2022-09-04T14:37:49.153598Z",
"structure_string": "Pr1 B2 Ir3\n1.0\n2.777518 -4.810801 0.000000\n2.777518 4.810801 0.000000\n0.000000 0.000000 3.167879\nPr B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Pr",
"density": 14.498625484889663,
"density_atomic": 0.07087260484432505,
"volume": 84.65894562757045,
"volume_molar": 8.497134786040265,
"formula_full": "Pr1 B2 Ir3",
"formula_reduced": "PrB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.432293052777778,
"spacegroup": 191
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{
"id": "jvasp-93343",
"created_at": "2022-09-04T14:35:51.186372Z",
"updated_at": "2022-09-04T14:35:51.186392Z",
"structure_string": "Pu1 B2 Ir3\n1.0\n-0.027020 0.000000 -3.099941\n-2.744741 -4.754182 0.023843\n-2.744741 4.754182 0.023843\nPu B Ir\n1 2 3\ndirect\n0.500001 0.500000 0.500000 Pu\n0.500001 0.833326 0.166674 B\n0.500001 0.166674 0.833326 B\n0.000000 0.000000 0.000000 Ir\n0.000000 -0.000000 0.500000 Ir\n0.000000 0.500000 -0.000000 Ir\n",
"nsites": 6,
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"elements": [
"Pu",
"B",
"Ir"
],
"chemical_system": "B-Ir-Pu",
"density": 17.286556802376648,
"density_atomic": 0.07415795948982559,
"volume": 80.90837505882554,
"volume_molar": 8.120693721118679,
"formula_full": "Pu1 B2 Ir3",
"formula_reduced": "PuB2Ir3",
"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-93688",
"created_at": "2022-09-04T14:35:57.265232Z",
"updated_at": "2022-09-04T14:35:57.265253Z",
"structure_string": "Sc1 B2 Ir3\n1.0\n0.055987 0.000000 3.077295\n-5.443448 0.000000 0.099066\n-2.721724 -4.714959 0.049533\nSc B Ir\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Sc\n0.499999 0.166657 0.666683 B\n0.500000 0.833341 0.333317 B\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n-0.000001 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 13.519161303467019,
"density_atomic": 0.07594275459566889,
"volume": 79.00687869362837,
"volume_molar": 7.929842408354582,
"formula_full": "Sc1 B2 Ir3",
"formula_reduced": "ScB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.604950619444445,
"spacegroup": 191
},
{
"id": "jvasp-21571",
"created_at": "2022-09-04T14:37:39.962226Z",
"updated_at": "2022-09-04T14:37:39.962253Z",
"structure_string": "Sc2 B8 Ir6\n1.0\n3.825092 -6.625254 0.000000\n3.825092 6.625254 -0.000000\n0.000000 -0.000000 3.469003\nSc B Ir\n2 8 6\ndirect\n0.333333 0.666667 0.749999 Sc\n0.666667 0.333333 0.250000 Sc\n0.599907 0.548542 0.749999 B\n0.051365 0.599907 0.250000 B\n0.548542 0.948634 0.250000 B\n0.451457 0.051365 0.749999 B\n0.000000 0.000000 0.000000 B\n0.400092 0.451457 0.250000 B\n0.000000 0.000000 0.500000 B\n0.948634 0.400092 0.749999 B\n0.744867 0.076563 0.749999 Ir\n0.331695 0.255133 0.749999 Ir\n0.668304 0.744867 0.250000 Ir\n0.076563 0.331695 0.250000 Ir\n0.255133 0.923437 0.250000 Ir\n0.923437 0.668304 0.749999 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 12.55810970828613,
"density_atomic": 0.09099989547004676,
"volume": 175.8243777902636,
"volume_molar": 6.617744700577408,
"formula_full": "Sc2 B8 Ir6",
"formula_reduced": "ScB4Ir3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.9365423604166665,
"spacegroup": 176
},
{
"id": "jvasp-61654",
"created_at": "2022-09-04T14:35:44.059093Z",
"updated_at": "2022-09-04T14:35:44.059114Z",
"structure_string": "Sc1 B2 Ir3\n1.0\n4.714869 2.721753 -0.050238\n-4.714869 2.721753 -0.050238\n0.000000 0.056851 3.077234\nSc B Ir\n1 2 3\ndirect\n0.499999 0.499999 0.499999 Sc\n0.166673 0.833326 0.499999 B\n0.833326 0.166673 0.499999 B\n0.000000 0.000000 0.000000 Ir\n0.500000 -0.000000 -0.000000 Ir\n-0.000000 0.500000 -0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 13.519409535926263,
"density_atomic": 0.07594414902068623,
"volume": 79.00542803324684,
"volume_molar": 7.929696807004375,
"formula_full": "Sc1 B2 Ir3",
"formula_reduced": "ScB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.604958952777778,
"spacegroup": 191
},
{
"id": "jvasp-115485",
"created_at": "2022-09-04T14:38:45.181835Z",
"updated_at": "2022-09-04T14:38:45.181859Z",
"structure_string": "Sc1 B1 Ir1\n1.0\n2.764421 0.000000 0.000000\n-0.000000 2.764421 -0.000000\n-0.000000 0.000000 6.844404\nSc B Ir\n1 1 1\ndirect\n0.000000 0.000000 0.650215 Sc\n0.000000 0.000000 0.305226 B\n0.000000 0.000000 0.028975 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 7.872788800009502,
"density_atomic": 0.057355788076840594,
"volume": 52.30509597358937,
"volume_molar": 10.499621680608815,
"formula_full": "Sc1 B1 Ir1",
"formula_reduced": "ScBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.786459644444444,
"spacegroup": 99
},
{
"id": "jvasp-15884",
"created_at": "2022-09-04T14:38:00.962820Z",
"updated_at": "2022-09-04T14:38:00.962848Z",
"structure_string": "Sc1 B1 Ir3\n1.0\n4.150873 -0.000000 -0.000000\n0.000000 4.150873 -0.000000\n0.000000 0.000000 4.150873\nSc B Ir\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 5,
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"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 14.68368034772641,
"density_atomic": 0.0699119903797196,
"volume": 71.51849021667138,
"volume_molar": 8.61388830054956,
"formula_full": "Sc1 B1 Ir3",
"formula_reduced": "ScBIr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.333422226666666,
"spacegroup": 221
},
{
"id": "jvasp-23721",
"created_at": "2022-09-04T14:37:37.173063Z",
"updated_at": "2022-09-04T14:37:37.173087Z",
"structure_string": "Sc4 Si2 B4 Ir10\n1.0\n9.247272 0.000000 -0.000000\n0.000000 9.247272 0.000000\n-0.000000 0.000000 3.139898\nSc Si B Ir\n4 2 4 10\ndirect\n0.175236 0.675236 0.000000 Sc\n0.675236 0.824763 0.000000 Sc\n0.324763 0.175236 0.000000 Sc\n0.824763 0.324763 0.000000 Sc\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.124020 0.375980 0.000000 B\n0.624020 0.124020 0.000000 B\n0.375980 0.875980 0.000000 B\n0.875980 0.624020 0.000000 B\n0.212266 0.929445 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.287733 0.429446 0.500000 Ir\n0.712267 0.570554 0.500000 Ir\n0.570554 0.287733 0.500000 Ir\n0.429446 0.712267 0.500000 Ir\n0.929445 0.787732 0.500000 Ir\n0.787732 0.070554 0.500000 Ir\n0.070554 0.212266 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Si",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc-Si",
"density": 13.61466504653186,
"density_atomic": 0.07448815049699087,
"volume": 268.49908161980676,
"volume_molar": 8.084696317226026,
"formula_full": "Sc4 Si2 B4 Ir10",
"formula_reduced": "Sc2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.758375976666668,
"spacegroup": 127
},
{
"id": "jvasp-23445",
"created_at": "2022-09-04T14:37:38.767663Z",
"updated_at": "2022-09-04T14:37:38.767688Z",
"structure_string": "Sc4 V2 B4 Ir10\n1.0\n9.296206 0.000000 0.000000\n0.000000 9.296206 -0.000000\n0.000000 0.000000 3.160453\nSc V B Ir\n4 2 4 10\ndirect\n0.176087 0.676088 0.000000 Sc\n0.823913 0.323913 0.000000 Sc\n0.323913 0.176087 0.000000 Sc\n0.676088 0.823913 0.000000 Sc\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.122268 0.377732 0.000000 B\n0.622269 0.122268 0.000000 B\n0.377732 0.877732 0.000000 B\n0.877732 0.622269 0.000000 B\n0.215045 0.928611 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.715045 0.571389 0.500000 Ir\n0.571389 0.284955 0.500000 Ir\n0.428611 0.715045 0.500000 Ir\n0.284955 0.428611 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.928611 0.784955 0.500000 Ir\n0.784955 0.071389 0.500000 Ir\n0.071389 0.215045 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"V",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc-V",
"density": 13.662012354624908,
"density_atomic": 0.07322665257521371,
"volume": 273.1245973514532,
"volume_molar": 8.223973851343871,
"formula_full": "Sc4 V2 B4 Ir10",
"formula_reduced": "Sc2VB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.912020536666667,
"spacegroup": 127
},
{
"id": "jvasp-93384",
"created_at": "2022-09-04T14:35:45.138508Z",
"updated_at": "2022-09-04T14:35:45.138534Z",
"structure_string": "Sm1 B2 Ir3\n1.0\n-0.022442 0.000000 -3.175269\n-2.749960 -4.763071 0.019507\n-2.749960 4.763071 0.019507\nSm B Ir\n1 2 3\ndirect\n0.499999 0.500000 0.500000 Sm\n0.499999 0.833338 0.166662 B\n0.499999 0.166662 0.833338 B\n0.000000 0.000000 0.000000 Ir\n-0.000000 0.000000 0.500000 Ir\n-0.000000 0.500000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"B",
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],
"chemical_system": "B-Ir-Sm",
"density": 14.944188617266823,
"density_atomic": 0.0721282717392404,
"volume": 83.18513469574486,
"volume_molar": 8.34920983795559,
"formula_full": "Sm1 B2 Ir3",
"formula_reduced": "SmB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.394947890277778,
"spacegroup": 191
},
{
"id": "jvasp-25448",
"created_at": "2022-09-04T14:37:27.524904Z",
"updated_at": "2022-09-04T14:37:27.524925Z",
"structure_string": "Sn5 B2 Ir6\n1.0\n3.362854 -5.824634 -0.000000\n3.362854 5.824634 0.000000\n0.000000 -0.000000 5.655392\nSn B Ir\n5 2 6\ndirect\n0.666666 0.333333 0.500000 Sn\n0.403871 -0.000000 0.000000 Sn\n0.596128 0.596128 0.000000 Sn\n-0.000000 0.403871 0.000000 Sn\n0.333333 0.666666 0.500000 Sn\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.746787 -0.000000 0.254409 Ir\n0.746787 -0.000000 0.745590 Ir\n0.253212 0.253212 0.745590 Ir\n-0.000000 0.746787 0.254409 Ir\n-0.000000 0.746787 0.745590 Ir\n0.253212 0.253212 0.254409 Ir\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Sn",
"density": 13.254959780029338,
"density_atomic": 0.058677822613382315,
"volume": 221.54877977757758,
"volume_molar": 10.263061054052415,
"formula_full": "Sn5 B2 Ir6",
"formula_reduced": "Sn5(BIr3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.6477161743589743,
"spacegroup": 189
},
{
"id": "jvasp-21451",
"created_at": "2022-09-04T14:38:31.132166Z",
"updated_at": "2022-09-04T14:38:31.132192Z",
"structure_string": "Sr2 B4 Ir4\n1.0\n5.433096 0.006193 -1.492458\n-2.842905 4.629953 -1.492458\n-0.007826 -0.014008 6.188154\nSr B Ir\n2 4 4\ndirect\n0.875000 0.124999 0.249999 Sr\n0.125000 0.874999 0.749999 Sr\n0.549397 0.450602 0.249999 B\n0.799397 0.200602 0.749999 B\n0.200603 0.799396 0.249999 B\n0.450603 0.549396 0.749999 B\n0.506350 0.756349 0.512699 Ir\n0.756350 0.506349 0.012699 Ir\n0.493650 0.243649 0.487299 Ir\n0.243650 0.493649 0.987299 Ir\n",
"nsites": 10,
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"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Sr",
"density": 10.540606231643231,
"density_atomic": 0.0642901563420391,
"volume": 155.54480761872148,
"volume_molar": 9.367127259670612,
"formula_full": "Sr2 B4 Ir4",
"formula_reduced": "Sr(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.6233727353333336,
"spacegroup": 70
}
]
}