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=-nsites&page=3554",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=3552",
"results": [
{
"id": "jvasp-117935",
"created_at": "2022-09-04T14:38:51.920486Z",
"updated_at": "2022-09-04T14:38:51.920512Z",
"structure_string": "Y1 C2 N1\n1.0\n3.468369 0.000000 0.000000\n-0.000000 3.468369 -0.000000\n-0.000000 0.000000 3.563212\nY C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Y\n0.000000 0.499999 0.000030 C\n0.499999 0.000000 -0.000030 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"C",
"N"
],
"chemical_system": "C-N-Y",
"density": 4.91738982542579,
"density_atomic": 0.09331849740984072,
"volume": 42.86395635403992,
"volume_molar": 6.453319467363119,
"formula_full": "Y1 C2 N1",
"formula_reduced": "YC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.461084675,
"spacegroup": 123
},
{
"id": "jvasp-113993",
"created_at": "2022-09-04T14:38:51.883762Z",
"updated_at": "2022-09-04T14:38:51.883786Z",
"structure_string": "Cu1 B1 O2\n1.0\n2.521894 0.000000 0.000000\n0.000000 2.521894 0.000000\n-0.000000 0.000000 5.243028\nCu B O\n1 1 2\ndirect\n0.499999 0.499999 0.595165 Cu\n0.000000 0.000000 0.095612 B\n0.000000 0.000000 0.342032 O\n0.499999 0.499999 0.977192 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O",
"density": 5.296322747647263,
"density_atomic": 0.11995660267796991,
"volume": 33.34539250614007,
"volume_molar": 5.020266184235617,
"formula_full": "Cu1 B1 O2",
"formula_reduced": "CuBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0185100083333336,
"spacegroup": 99
},
{
"id": "jvasp-117625",
"created_at": "2022-09-04T14:38:51.928939Z",
"updated_at": "2022-09-04T14:38:51.928967Z",
"structure_string": "Ba3 Se1\n1.0\n4.338195 0.551697 -0.371328\n0.600346 -8.014236 -4.870288\n-0.123522 -4.571102 -8.208125\nBa Se\n3 1\ndirect\n0.908198 0.734557 0.053009 Ba\n0.408192 0.069940 0.387770 Ba\n0.408190 0.394445 0.714090 Ba\n0.908176 0.917532 0.237300 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 4.2188973741306635,
"density_atomic": 0.020700486492502588,
"volume": 193.23217362300838,
"volume_molar": 29.09178372296289,
"formula_full": "Ba3 Se1",
"formula_reduced": "Ba3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2802604849999999,
"spacegroup": 38
},
{
"id": "jvasp-123613",
"created_at": "2022-09-04T14:38:52.096510Z",
"updated_at": "2022-09-04T14:38:52.096534Z",
"structure_string": "P3 Ru1\n1.0\n2.995789 -0.000000 -0.959289\n-0.226217 3.577999 -0.706459\n0.223561 -0.800856 5.855621\nP Ru\n3 1\ndirect\n0.586527 0.125317 0.173054 P\n0.138476 0.573807 0.276951 P\n0.908799 0.423933 0.817600 P\n0.366196 0.876941 0.732394 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 5.2239063078799175,
"density_atomic": 0.06486703555122852,
"volume": 61.66460307625764,
"volume_molar": 9.283822990868813,
"formula_full": "P3 Ru1",
"formula_reduced": "P3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3346567500000006,
"spacegroup": 8
},
{
"id": "jvasp-123618",
"created_at": "2022-09-04T14:38:52.242118Z",
"updated_at": "2022-09-04T14:38:52.242143Z",
"structure_string": "Si1 P3\n1.0\n3.280116 0.000000 -1.050334\n0.049084 4.116736 0.153286\n-0.035926 0.188632 5.534750\nSi P\n1 3\ndirect\n0.395047 0.942750 0.790100 Si\n0.611337 0.060408 0.222672 P\n0.102110 0.420283 0.204221 P\n0.891503 0.576561 0.783009 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"P"
],
"chemical_system": "P-Si",
"density": 2.6979353746791648,
"density_atomic": 0.053707224628926194,
"volume": 74.47787569804228,
"volume_molar": 11.212906273984848,
"formula_full": "Si1 P3",
"formula_reduced": "SiP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0470862750000007,
"spacegroup": 8
},
{
"id": "jvasp-117557",
"created_at": "2022-09-04T14:38:52.014598Z",
"updated_at": "2022-09-04T14:38:52.014625Z",
"structure_string": "Ba1 Sb1 Cl2\n1.0\n4.376008 0.000000 0.000000\n0.000000 4.376008 0.000000\n-0.000000 0.000000 6.341483\nBa Sb Cl\n1 1 2\ndirect\n0.500000 0.500000 0.576965 Ba\n0.000000 0.000000 0.904816 Sb\n0.000000 0.000000 0.421830 Cl\n0.500000 0.500000 0.106389 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Cl"
],
"chemical_system": "Ba-Cl-Sb",
"density": 4.51239155560368,
"density_atomic": 0.03293919219070898,
"volume": 121.43588637028758,
"volume_molar": 18.282600025930932,
"formula_full": "Ba1 Sb1 Cl2",
"formula_reduced": "BaSbCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0877200512499999,
"spacegroup": 99
},
{
"id": "jvasp-119917",
"created_at": "2022-09-04T14:38:52.017031Z",
"updated_at": "2022-09-04T14:38:52.017058Z",
"structure_string": "Rb1 B1 H2\n1.0\n3.204090 0.000000 -0.000000\n0.000000 3.204090 0.000000\n0.000000 0.000000 5.224998\nRb B H\n1 1 2\ndirect\n0.499999 0.499999 0.596954 Rb\n0.000000 0.000000 0.049368 B\n0.000000 0.000000 0.286320 H\n0.499999 0.499999 0.077360 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"B",
"H"
],
"chemical_system": "B-H-Rb",
"density": 3.0428711950518816,
"density_atomic": 0.07457005265181978,
"volume": 53.64083647193705,
"volume_molar": 8.075816692953667,
"formula_full": "Rb1 B1 H2",
"formula_reduced": "RbBH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3425831458333333,
"spacegroup": 99
},
{
"id": "jvasp-123598",
"created_at": "2022-09-04T14:38:52.023334Z",
"updated_at": "2022-09-04T14:38:52.023359Z",
"structure_string": "P3 O1\n1.0\n2.937692 0.000000 -0.940686\n0.216155 3.772000 0.675036\n0.296317 0.780454 5.982815\nP O\n3 1\ndirect\n0.643229 0.030473 0.286456 P\n0.094909 0.434809 0.189815 P\n0.876070 0.659690 0.752139 P\n0.385797 0.875025 0.771592 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"O"
],
"chemical_system": "O-P",
"density": 2.7554202587440493,
"density_atomic": 0.06093802478198367,
"volume": 65.64046035805545,
"volume_molar": 9.882402295685248,
"formula_full": "P3 O1",
"formula_reduced": "P3O",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7656825000000005,
"spacegroup": 8
},
{
"id": "jvasp-117580",
"created_at": "2022-09-04T14:38:52.024374Z",
"updated_at": "2022-09-04T14:38:52.024399Z",
"structure_string": "Ba1 I1 F2\n1.0\n3.758406 0.000000 0.000000\n0.000000 3.758406 0.000000\n0.000000 0.000000 6.986504\nBa I F\n1 1 2\ndirect\n0.500000 0.500000 0.486366 Ba\n0.000000 0.000000 0.922547 I\n0.000000 0.000000 0.450113 F\n0.500000 0.500000 0.150972 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"I",
"F"
],
"chemical_system": "Ba-F-I",
"density": 5.0853036967859016,
"density_atomic": 0.04053150161164232,
"volume": 98.68867031689335,
"volume_molar": 14.85792660163914,
"formula_full": "Ba1 I1 F2",
"formula_reduced": "BaIF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.090375070625,
"spacegroup": 99
},
{
"id": "jvasp-123603",
"created_at": "2022-09-04T14:38:52.029950Z",
"updated_at": "2022-09-04T14:38:52.029965Z",
"structure_string": "Pm1 P3\n1.0\n3.552892 -0.000000 -1.137680\n-0.043036 4.107199 -0.134400\n-0.137364 -0.203625 5.687569\nPm P\n1 3\ndirect\n0.338616 -0.017603 0.677232 Pm\n0.620420 0.079060 0.240840 P\n0.121840 0.440699 0.243680 P\n0.919124 0.497841 0.838249 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"P"
],
"chemical_system": "P-Pm",
"density": 4.803584169099778,
"density_atomic": 0.04863433703670104,
"volume": 82.24641773119002,
"volume_molar": 12.382487614574654,
"formula_full": "Pm1 P3",
"formula_reduced": "PmP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.43409691875,
"spacegroup": 8
},
{
"id": "jvasp-117656",
"created_at": "2022-09-04T14:38:52.178407Z",
"updated_at": "2022-09-04T14:38:52.178441Z",
"structure_string": "Ag1 As1 O2\n1.0\n1.597298 0.922200 6.299429\n-1.597298 0.922200 6.299429\n0.000000 -1.844401 6.299429\nAg As O\n1 1 2\ndirect\n0.157277 0.157277 0.157277 Ag\n0.998438 0.998438 0.998443 As\n0.272438 0.272438 0.272439 O\n0.730846 0.730846 0.730849 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"As",
"O"
],
"chemical_system": "Ag-As-O",
"density": 6.406143550070061,
"density_atomic": 0.0718449642124768,
"volume": 55.67544007914404,
"volume_molar": 8.382133425788775,
"formula_full": "Ag1 As1 O2",
"formula_reduced": "AgAsO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5739765025,
"spacegroup": 160
},
{
"id": "jvasp-117971",
"created_at": "2022-09-04T14:38:52.226270Z",
"updated_at": "2022-09-04T14:38:52.226284Z",
"structure_string": "Ca1 C3\n1.0\n4.731413 -0.541143 -0.035440\n-2.389266 -2.967442 0.128146\n-0.020834 3.120038 -3.609384\nCa C\n1 3\ndirect\n0.992215 0.967511 -0.065326 Ca\n0.285304 0.054409 0.521664 C\n0.402765 0.877619 0.639001 C\n0.285278 0.465883 0.639155 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.35267195556819,
"density_atomic": 0.07446119074042633,
"volume": 53.71925912310623,
"volume_molar": 8.087623499056496,
"formula_full": "Ca1 C3",
"formula_reduced": "CaC3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.442132604999999,
"spacegroup": 155
}
]
}