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_anonymous&page=657",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=655",
"results": [
{
"id": "jvasp-36583",
"created_at": "2022-09-04T14:37:58.539209Z",
"updated_at": "2022-09-04T14:37:58.539226Z",
"structure_string": "Hf1 Zn1 O3\n1.0\n4.070203 -0.000000 0.000000\n-0.000000 4.070203 -0.000000\n-0.000000 -0.000000 4.070203\nHf Zn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"O"
],
"chemical_system": "Hf-O-Zn",
"density": 7.188376510491959,
"density_atomic": 0.07415181645630738,
"volume": 67.42923152727028,
"volume_molar": 8.121366471917028,
"formula_full": "Hf1 Zn1 O3",
"formula_reduced": "HfZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9287547799999991,
"spacegroup": 221
},
{
"id": "jvasp-39379",
"created_at": "2022-09-04T14:37:54.713319Z",
"updated_at": "2022-09-04T14:37:54.713342Z",
"structure_string": "Np1 Os1 O3\n1.0\n3.949583 -0.000000 0.000000\n0.000000 3.949583 -0.000000\n0.000000 0.000000 3.949583\nNp Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Os",
"O"
],
"chemical_system": "Np-O-Os",
"density": 12.808479174631952,
"density_atomic": 0.08115518453852091,
"volume": 61.61035833301214,
"volume_molar": 7.420525003108762,
"formula_full": "Np1 Os1 O3",
"formula_reduced": "NpOsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.0867591,
"spacegroup": 221
},
{
"id": "jvasp-45240",
"created_at": "2022-09-04T14:38:02.022163Z",
"updated_at": "2022-09-04T14:38:02.022177Z",
"structure_string": "Li4 Fe4 O12\n1.0\n4.756230 0.000000 0.000000\n0.000000 4.805587 0.000000\n0.000000 0.000000 7.975651\nLi Fe O\n4 4 12\ndirect\n0.000000 0.000000 0.298089 Li\n0.500000 0.000000 0.187795 Li\n0.000000 0.500000 0.687795 Li\n0.500000 0.500000 0.798089 Li\n0.000000 0.000000 0.898174 Fe\n0.500000 0.000000 0.587714 Fe\n0.000000 0.500000 0.087714 Fe\n0.500000 0.500000 0.398174 Fe\n0.201298 0.177718 0.071172 O\n0.701298 0.322282 0.571172 O\n0.798699 0.322282 0.914722 O\n0.750000 0.348527 0.242947 O\n0.250000 0.651474 0.242947 O\n0.701301 0.822282 0.414722 O\n0.298702 0.677718 0.571172 O\n0.798702 0.822282 0.071172 O\n0.298699 0.177718 0.414722 O\n0.750000 0.848527 0.742947 O\n0.201301 0.677718 0.914722 O\n0.250000 0.151474 0.742947 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.036560637847973,
"density_atomic": 0.10971210856690962,
"volume": 182.2952840962189,
"volume_molar": 5.489039303558097,
"formula_full": "Li4 Fe4 O12",
"formula_reduced": "LiFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1082431999999995,
"spacegroup": 52
},
{
"id": "jvasp-32164",
"created_at": "2022-09-04T14:37:47.780530Z",
"updated_at": "2022-09-04T14:37:47.780557Z",
"structure_string": "Pb4 C4 O12\n1.0\n5.229115 0.000000 0.000000\n-0.000000 6.080136 0.000000\n0.000000 0.000000 8.559078\nPb C O\n4 4 12\ndirect\n0.749999 0.744580 0.416707 Pb\n0.749999 0.244580 0.083293 Pb\n0.250000 0.755421 0.916707 Pb\n0.250000 0.255420 0.583293 Pb\n0.250000 0.910585 0.261397 C\n0.749999 0.589416 0.761398 C\n0.250000 0.410585 0.238603 C\n0.749999 0.089415 0.738603 C\n0.964958 0.591188 0.685104 O\n0.035041 0.908813 0.185104 O\n0.535041 0.091187 0.814896 O\n0.749999 0.599411 0.912895 O\n0.749999 0.099411 0.587106 O\n0.250000 0.900590 0.412895 O\n0.535041 0.591188 0.685104 O\n0.035041 0.408813 0.314896 O\n0.964958 0.091187 0.814896 O\n0.464958 0.908813 0.185104 O\n0.464958 0.408813 0.314896 O\n0.250000 0.400590 0.087105 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 6.522161329493107,
"density_atomic": 0.07349563131918446,
"volume": 272.12501805912683,
"volume_molar": 8.19387581534802,
"formula_full": "Pb4 C4 O12",
"formula_reduced": "PbCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.581810264,
"spacegroup": 62
},
{
"id": "jvasp-36896",
"created_at": "2022-09-04T14:38:01.691651Z",
"updated_at": "2022-09-04T14:38:01.691671Z",
"structure_string": "Rb1 Ag1 Br3\n1.0\n5.365890 0.004202 0.000114\n-0.004284 5.366010 0.007578\n-0.000139 -0.007727 5.365965\nRb Ag Br\n1 1 3\ndirect\n-0.000003 0.011788 0.001865 Rb\n0.500011 0.512080 0.502066 Ag\n0.000001 0.512006 0.501910 Br\n0.500040 0.012076 0.502110 Br\n0.499949 0.512048 0.002045 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb",
"density": 4.654177057078486,
"density_atomic": 0.03236143495568056,
"volume": 154.5048916047008,
"volume_molar": 18.60900410704101,
"formula_full": "Rb1 Ag1 Br3",
"formula_reduced": "RbAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-36962",
"created_at": "2022-09-04T14:38:01.680169Z",
"updated_at": "2022-09-04T14:38:01.680198Z",
"structure_string": "K1 Ca1 Cl3\n1.0\n5.359805 0.010379 -0.007582\n0.012134 5.338490 -0.000614\n-0.006412 0.001449 5.338377\nK Ca Cl\n1 1 3\ndirect\n0.057777 0.011022 0.994539 K\n0.483349 0.501141 0.500523 Ca\n0.459881 0.501526 0.000753 Cl\n0.979448 0.495549 0.503857 Cl\n0.459540 0.000767 0.500331 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl-K",
"density": 2.0169801336352755,
"density_atomic": 0.03273376624036726,
"volume": 152.7474707091298,
"volume_molar": 18.397335386887136,
"formula_full": "K1 Ca1 Cl3",
"formula_reduced": "KCaCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0069359999999999,
"spacegroup": 8
},
{
"id": "jvasp-16318",
"created_at": "2022-09-04T14:37:47.535673Z",
"updated_at": "2022-09-04T14:37:47.535692Z",
"structure_string": "Pr1 Rh3 C1\n1.0\n4.243752 0.000000 0.000000\n0.000000 4.243752 0.000000\n-0.000000 -0.000000 4.243752\nPr Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Rh",
"C"
],
"chemical_system": "C-Pr-Rh",
"density": 10.029925240537972,
"density_atomic": 0.0654214273810459,
"volume": 76.42755898426967,
"volume_molar": 9.20515036292949,
"formula_full": "Pr1 Rh3 C1",
"formula_reduced": "PrRh3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.4166477700000004,
"spacegroup": 221
},
{
"id": "jvasp-38837",
"created_at": "2022-09-04T14:38:01.682137Z",
"updated_at": "2022-09-04T14:38:01.682161Z",
"structure_string": "Nd2 V2 Ge6\n1.0\n6.264713 0.000000 0.000000\n-3.132355 5.425343 0.000000\n-0.000000 0.000000 5.643879\nNd V Ge\n2 2 6\ndirect\n0.666687 0.333375 0.250000 Nd\n0.333311 0.666624 0.750000 Nd\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.194242 0.388484 0.250000 Ge\n0.194261 0.805776 0.250000 Ge\n0.611514 0.805776 0.250000 Ge\n0.388485 0.194224 0.750000 Ge\n0.805738 0.194224 0.750000 Ge\n0.805757 0.611515 0.750000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"V",
"Ge"
],
"chemical_system": "Ge-Nd-V",
"density": 7.152072254204956,
"density_atomic": 0.052130744299427496,
"volume": 191.82538316664358,
"volume_molar": 11.55199458770462,
"formula_full": "Nd2 V2 Ge6",
"formula_reduced": "NdVGe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.68852271,
"spacegroup": 194
},
{
"id": "jvasp-36956",
"created_at": "2022-09-04T14:38:01.656536Z",
"updated_at": "2022-09-04T14:38:01.656557Z",
"structure_string": "In2 Sn2 Cl6\n1.0\n-7.024037 -0.000039 3.949242\n-4.622267 6.600626 0.000024\n-6.440260 0.408792 -3.233481\nIn Sn Cl\n2 2 6\ndirect\n0.892817 0.892816 0.321552 In\n0.107184 0.107185 0.678449 In\n0.649961 0.649960 0.050120 Sn\n0.350039 0.350040 0.949881 Sn\n0.503587 0.734354 0.744184 Cl\n0.017874 0.503588 0.744184 Cl\n0.734354 0.017875 0.744183 Cl\n0.496413 0.265646 0.255818 Cl\n0.265645 0.982125 0.255817 Cl\n0.982124 0.496413 0.255819 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Sn",
"Cl"
],
"chemical_system": "Cl-In-Sn",
"density": 3.6373471061501363,
"density_atomic": 0.03222338052615215,
"volume": 310.33367190894535,
"volume_molar": 18.68873054803327,
"formula_full": "In2 Sn2 Cl6",
"formula_reduced": "InSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-36964",
"created_at": "2022-09-04T14:38:03.896798Z",
"updated_at": "2022-09-04T14:38:03.896830Z",
"structure_string": "Rb2 Pb2 Br6\n1.0\n0.000000 4.441303 0.003186\n11.329881 0.000000 0.000000\n0.000000 -2.215194 -7.138474\nRb Pb Br\n2 2 6\ndirect\n0.750105 0.009551 0.500204 Rb\n0.249895 0.509551 0.499795 Rb\n0.999987 0.759544 -0.000014 Pb\n0.000012 0.259544 0.000013 Pb\n0.642164 0.707683 0.284354 Br\n0.357835 0.207683 0.715645 Br\n0.642197 0.311382 0.284396 Br\n0.357802 0.811382 0.715603 Br\n0.068663 0.009541 0.137277 Br\n0.931336 0.509541 0.862721 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.92329905311273,
"density_atomic": 0.0278455342517368,
"volume": 359.12401283434787,
"volume_molar": 21.626953555844896,
"formula_full": "Rb2 Pb2 Br6",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-110103",
"created_at": "2022-09-04T14:37:54.847307Z",
"updated_at": "2022-09-04T14:37:54.847325Z",
"structure_string": "Mn3 Al1 N1\n1.0\n3.762420 0.000000 0.000000\n0.000000 3.762420 0.000000\n0.000000 -0.000000 3.762420\nMn Al N\n3 1 1\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"N"
],
"chemical_system": "Al-Mn-N",
"density": 6.416491950859877,
"density_atomic": 0.09387894087641051,
"volume": 53.2600810503645,
"volume_molar": 6.414794099486072,
"formula_full": "Mn3 Al1 N1",
"formula_reduced": "Mn3AlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.082351554827586,
"spacegroup": 221
},
{
"id": "jvasp-36876",
"created_at": "2022-09-04T14:38:01.588914Z",
"updated_at": "2022-09-04T14:38:01.588934Z",
"structure_string": "Ca1 Tl1 F3\n1.0\n4.479199 -0.006619 -0.014042\n-0.002715 4.480114 0.001548\n0.005748 0.008598 4.480156\nCa Tl F\n1 1 3\ndirect\n0.491237 0.496536 0.494584 Ca\n0.016358 0.969527 0.967744 Tl\n0.471726 -0.000965 0.515445 F\n0.988923 0.517274 0.515154 F\n0.471757 0.517626 0.997081 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"F"
],
"chemical_system": "Ca-F-Tl",
"density": 5.567883421202175,
"density_atomic": 0.05561428703899733,
"volume": 89.90495547473164,
"volume_molar": 10.82840593780733,
"formula_full": "Ca1 Tl1 F3",
"formula_reduced": "CaTlF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.001268,
"spacegroup": 160
}
]
}