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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1089",
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"results": [
{
"id": "jvasp-111850",
"created_at": "2022-09-04T14:38:42.312961Z",
"updated_at": "2022-09-04T14:38:42.312980Z",
"structure_string": "Sr6 Ir4 N8\n1.0\n7.364437 0.042641 -0.237745\n-5.903369 7.175533 0.000000\n0.011325 0.009317 5.551675\nSr Ir N\n6 4 8\ndirect\n0.236973 0.967076 0.056230 Sr\n0.763027 0.730102 0.443772 Sr\n0.763027 0.032924 0.943772 Sr\n0.236974 0.269898 0.556230 Sr\n0.000000 0.596677 0.750001 Sr\n0.000000 0.403323 0.250000 Sr\n0.532197 0.379686 0.086184 Ir\n0.467804 0.847490 0.413818 Ir\n0.532197 0.152510 0.586184 Ir\n0.467804 0.620314 0.913818 Ir\n0.328691 0.729823 0.075694 N\n0.214127 0.936973 0.540238 N\n0.785875 0.722847 0.959764 N\n0.785874 0.063026 0.459764 N\n0.214126 0.277152 0.040237 N\n0.671310 0.270177 0.924308 N\n0.328691 0.598868 0.575694 N\n0.671309 0.401131 0.424308 N\n",
"nsites": 18,
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"elements": [
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"Ir",
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],
"chemical_system": "Ir-N-Sr",
"density": 7.923246905343684,
"density_atomic": 0.0610580795293314,
"volume": 294.8012800067363,
"volume_molar": 9.862971135715222,
"formula_full": "Sr6 Ir4 N8",
"formula_reduced": "Sr3(IrN2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 15
},
{
"id": "jvasp-17668",
"created_at": "2022-09-04T14:38:15.916777Z",
"updated_at": "2022-09-04T14:38:15.916792Z",
"structure_string": "Np3 Sn3 Ir3\n1.0\n3.712794 -6.430748 0.000000\n3.712794 6.430748 -0.000000\n0.000000 -0.000000 4.013257\nNp Sn Ir\n3 3 3\ndirect\n0.412038 -0.000000 0.500000 Np\n-0.000000 0.412038 0.500000 Np\n0.587961 0.587961 0.500000 Np\n0.744576 -0.000001 0.000000 Sn\n0.255424 0.255424 0.000000 Sn\n-0.000001 0.744576 0.000000 Sn\n0.333332 0.666667 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.666667 0.333332 0.000000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Np",
"Sn",
"Ir"
],
"chemical_system": "Ir-Np-Sn",
"density": 14.243074347520196,
"density_atomic": 0.046962715072748754,
"volume": 191.64139011252496,
"volume_molar": 12.823238074441084,
"formula_full": "Np3 Sn3 Ir3",
"formula_reduced": "NpSnIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.442484266666667,
"spacegroup": 189
},
{
"id": "jvasp-23793",
"created_at": "2022-09-04T14:37:50.682755Z",
"updated_at": "2022-09-04T14:37:50.682775Z",
"structure_string": "Np2 Si4 Ir4\n1.0\n4.104305 0.000000 0.000000\n0.000000 4.104305 -0.000000\n0.000000 0.000000 9.883648\nNp Si Ir\n2 4 4\ndirect\n0.499999 0.000000 0.254869 Np\n0.000000 0.499999 0.745131 Np\n0.499999 0.499999 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.499999 0.000000 0.867496 Si\n0.000000 0.499999 0.132505 Si\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.000000 Ir\n0.499999 0.000000 0.629689 Ir\n0.000000 0.499999 0.370311 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Np",
"Si",
"Ir"
],
"chemical_system": "Ir-Np-Si",
"density": 13.516341992906487,
"density_atomic": 0.060062509920758365,
"volume": 166.4932087119435,
"volume_molar": 10.02645538447382,
"formula_full": "Np2 Si4 Ir4",
"formula_reduced": "Np(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.70013588,
"spacegroup": 129
},
{
"id": "jvasp-20410",
"created_at": "2022-09-04T14:37:40.520885Z",
"updated_at": "2022-09-04T14:37:40.520905Z",
"structure_string": "Np2 Ir4\n1.0\n4.633668 0.000000 2.675249\n1.544556 4.368664 2.675249\n0.000000 0.000000 5.350498\nNp Ir\n2 4\ndirect\n0.875001 0.874999 0.875000 Np\n0.125000 0.125000 0.125000 Np\n0.500001 0.500000 0.500000 Ir\n0.500001 0.500000 -0.000000 Ir\n0.000001 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Ir"
],
"chemical_system": "Ir-Np",
"density": 19.054885367712437,
"density_atomic": 0.05539664802200277,
"volume": 108.30980238401581,
"volume_molar": 10.870947927405446,
"formula_full": "Np2 Ir4",
"formula_reduced": "NpIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.662094066666667,
"spacegroup": 227
},
{
"id": "jvasp-20598",
"created_at": "2022-09-04T14:38:16.303429Z",
"updated_at": "2022-09-04T14:38:16.303451Z",
"structure_string": "Np2 Ir4\n1.0\n4.587324 0.000000 2.648493\n1.529108 4.324971 2.648493\n0.000000 0.000000 5.296985\nNp Ir\n2 4\ndirect\n0.875000 0.875000 0.875000 Np\n0.125000 0.125000 0.125000 Np\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Ir"
],
"chemical_system": "Ir-Np",
"density": 19.638248256410034,
"density_atomic": 0.05709260934586557,
"volume": 105.09241158784937,
"volume_molar": 10.5480215898314,
"formula_full": "Np2 Ir4",
"formula_reduced": "NpIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.719470733333333,
"spacegroup": 227
},
{
"id": "jvasp-59628",
"created_at": "2022-09-04T14:37:33.383762Z",
"updated_at": "2022-09-04T14:37:33.383791Z",
"structure_string": "Tl3 Ir1 N6 O12\n1.0\n6.857030 -0.000000 3.958908\n2.285677 6.464870 3.958908\n-0.000000 -0.000000 7.917817\nTl Ir N O\n3 1 6 12\ndirect\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Ir\n0.821224 0.821224 0.178777 N\n0.178777 0.821224 0.178776 N\n0.178776 0.178776 0.821224 N\n0.821224 0.178776 0.821224 N\n0.178777 0.821224 0.821224 N\n0.821224 0.178776 0.178777 N\n0.418371 0.000000 0.581629 O\n0.000000 0.418371 0.581629 O\n0.000000 0.000000 0.581629 O\n0.000000 0.581629 0.000000 O\n0.000000 0.581629 0.418371 O\n0.418371 0.000000 0.000000 O\n0.000000 0.418371 0.000000 O\n0.581629 0.000000 0.418372 O\n0.581629 0.418371 0.000000 O\n0.418371 0.581629 0.000000 O\n0.581629 0.000000 0.000000 O\n0.000000 0.000000 0.418371 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tl",
"Ir",
"N",
"O"
],
"chemical_system": "Ir-N-O-Tl",
"density": 5.116042185054358,
"density_atomic": 0.06267890130460835,
"volume": 350.9953037160607,
"volume_molar": 9.607923295804857,
"formula_full": "Tl3 Ir1 N6 O12",
"formula_reduced": "Tl3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.656840472727272,
"spacegroup": 225
},
{
"id": "jvasp-98012",
"created_at": "2022-09-04T14:36:13.937643Z",
"updated_at": "2022-09-04T14:36:13.937663Z",
"structure_string": "Rb3 Ir1 N6 O12\n1.0\n6.467427 -0.000000 3.733970\n2.155809 6.097548 3.733970\n0.000000 -0.000000 7.467941\nRb Ir N O\n3 1 6 12\ndirect\n0.750000 0.750000 0.749999 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.808077 0.808076 0.191923 N\n0.191924 0.808076 0.191924 N\n0.191924 0.191924 0.808076 N\n0.808076 0.191924 0.808076 N\n0.191924 0.808076 0.808076 N\n0.808076 0.191924 0.191924 N\n0.410792 0.000000 0.589208 O\n0.000000 0.410792 0.589208 O\n0.000000 0.000000 0.589208 O\n0.000000 0.589208 -0.000000 O\n0.000000 0.589208 0.410792 O\n0.410792 0.000000 -0.000000 O\n0.000000 0.410792 -0.000000 O\n0.589209 0.000000 0.410791 O\n0.589209 0.410792 -0.000000 O\n0.410792 0.589208 -0.000000 O\n0.589209 0.000000 -0.000000 O\n0.000000 0.000000 0.410792 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Ir",
"N",
"O"
],
"chemical_system": "Ir-N-O-Rb",
"density": 4.085938169122155,
"density_atomic": 0.07470248336535787,
"volume": 294.5015882859145,
"volume_molar": 8.061500085006111,
"formula_full": "Rb3 Ir1 N6 O12",
"formula_reduced": "Rb3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.5922342090909094,
"spacegroup": 225
},
{
"id": "jvasp-79363",
"created_at": "2022-09-04T14:37:14.929421Z",
"updated_at": "2022-09-04T14:37:14.929431Z",
"structure_string": "Zn2 Ni1 Ir1\n1.0\n-0.000000 2.976348 2.976348\n2.976348 -0.000000 2.976348\n2.976348 2.976348 0.000000\nZn Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni-Zn",
"density": 12.020497674500545,
"density_atomic": 0.07585406695033545,
"volume": 52.73283504520532,
"volume_molar": 7.939113882902185,
"formula_full": "Zn2 Ni1 Ir1",
"formula_reduced": "Zn2NiIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5717260749999998,
"spacegroup": 225
},
{
"id": "jvasp-41554",
"created_at": "2022-09-04T14:37:42.273267Z",
"updated_at": "2022-09-04T14:37:42.273296Z",
"structure_string": "Y2 Ni1 Ir1\n1.0\n0.000000 3.403463 3.403463\n3.403463 0.000000 3.403463\n3.403463 3.403463 0.000000\nY Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.499999 0.499999 Y\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni-Y",
"density": 9.028838238831858,
"density_atomic": 0.050730237412352726,
"volume": 78.84843840738674,
"volume_molar": 11.870909869886829,
"formula_full": "Y2 Ni1 Ir1",
"formula_reduced": "Y2NiIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6782011,
"spacegroup": 225
},
{
"id": "jvasp-41509",
"created_at": "2022-09-04T14:37:52.213096Z",
"updated_at": "2022-09-04T14:37:52.213123Z",
"structure_string": "Tm2 Ni1 Ir1\n1.0\n-0.000000 3.344854 3.344854\n3.344854 0.000000 3.344854\n3.344854 3.344854 0.000000\nTm Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ni",
"Ir"
],
"chemical_system": "Ir-Ni-Tm",
"density": 13.062905432385703,
"density_atomic": 0.0534439437040761,
"volume": 74.84477609190591,
"volume_molar": 11.268144419403502,
"formula_full": "Tm2 Ni1 Ir1",
"formula_reduced": "Tm2NiIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8804705,
"spacegroup": 225
},
{
"id": "jvasp-41629",
"created_at": "2022-09-04T14:37:30.244985Z",
"updated_at": "2022-09-04T14:37:30.245010Z",
"structure_string": "Ti2 Ni1 Ir1\n1.0\n0.000000 3.064050 3.064050\n3.064051 -0.000000 3.064051\n3.064051 3.064051 -0.000000\nTi Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ni",
"Ir"
],
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"density": 10.004962451580264,
"density_atomic": 0.06952518742867629,
"volume": 57.533106316375985,
"volume_molar": 8.661811614931533,
"formula_full": "Ti2 Ni1 Ir1",
"formula_reduced": "Ti2NiIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1558950416666667,
"spacegroup": 225
},
{
"id": "jvasp-51144",
"created_at": "2022-09-04T14:36:42.789073Z",
"updated_at": "2022-09-04T14:36:42.789092Z",
"structure_string": "Sr1 Ni1 Ir2\n1.0\n-0.000000 3.271496 3.271496\n3.271496 0.000000 3.271496\n3.271496 3.271496 -0.000000\nSr Ni Ir\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Ir\n",
"nsites": 4,
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"elements": [
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"Ni",
"Ir"
],
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"density": 12.58542240153656,
"density_atomic": 0.05712034406748086,
"volume": 70.02758938697005,
"volume_molar": 10.542900009295394,
"formula_full": "Sr1 Ni1 Ir2",
"formula_reduced": "SrNiIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5821502275,
"spacegroup": 225
}
]
}