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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=713",
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"results": [
{
"id": "jvasp-15323",
"created_at": "2022-09-04T14:36:36.747153Z",
"updated_at": "2022-09-04T14:36:36.747176Z",
"structure_string": "Mn1 Sb1 Pd1\n1.0\n3.759289 -0.000000 2.170426\n1.253097 3.544292 2.170426\n0.000000 0.000000 4.340853\nMn Sb Pd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Sb",
"Pd"
],
"chemical_system": "Mn-Pd-Sb",
"density": 8.128424211921562,
"density_atomic": 0.05186936930646717,
"volume": 57.83760319649683,
"volume_molar": 11.61020625567766,
"formula_full": "Mn1 Sb1 Pd1",
"formula_reduced": "MnSbPd",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-99376",
"created_at": "2022-09-04T14:36:12.290609Z",
"updated_at": "2022-09-04T14:36:12.290637Z",
"structure_string": "Mn2 Pd1 Pt1\n1.0\n3.813235 -0.000000 2.201572\n1.271078 3.595153 2.201572\n-0.000000 -0.000000 4.403145\nMn Pd Pt\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Mn\n0.750001 0.749999 0.749998 Mn\n0.500001 0.500000 0.499999 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Pd",
"Pt"
],
"chemical_system": "Mn-Pd-Pt",
"density": 11.316664240587517,
"density_atomic": 0.06626528280843919,
"volume": 60.36343361822311,
"volume_molar": 9.087927350146392,
"formula_full": "Mn2 Pd1 Pt1",
"formula_reduced": "Mn2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1402903956896555,
"spacegroup": 225
},
{
"id": "jvasp-8737",
"created_at": "2022-09-04T14:36:46.244862Z",
"updated_at": "2022-09-04T14:36:46.244885Z",
"structure_string": "Mn2 Pd6\n1.0\n3.817625 -0.000000 -0.934675\n-0.228837 3.810759 -0.934674\n0.003973 0.004219 8.279994\nMn Pd\n2 6\ndirect\n0.124324 0.124324 0.248648 Mn\n0.875673 0.875676 0.751353 Mn\n0.374772 0.374773 0.749545 Pd\n0.625226 0.625227 0.250455 Pd\n0.499999 0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.749999 0.250000 0.500000 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Pd"
],
"chemical_system": "Mn-Pd",
"density": 10.314241569624988,
"density_atomic": 0.06639672806028714,
"volume": 120.48786489503114,
"volume_molar": 9.069936028371751,
"formula_full": "Mn2 Pd6",
"formula_reduced": "MnPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2618385853448277,
"spacegroup": 139
},
{
"id": "jvasp-14872",
"created_at": "2022-09-04T14:36:41.566284Z",
"updated_at": "2022-09-04T14:36:41.566309Z",
"structure_string": "Mn2 Pd2\n1.0\n3.800343 0.000000 0.000000\n-0.000000 3.702674 0.000000\n0.000000 0.000000 3.702674\nMn Pd\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.499999 0.499999 Mn\n0.500000 0.000000 0.499999 Pd\n0.500000 0.499999 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pd"
],
"chemical_system": "Mn-Pd",
"density": 10.285276416736492,
"density_atomic": 0.07677259892247766,
"volume": 52.101922510648144,
"volume_molar": 7.844127780643393,
"formula_full": "Mn2 Pd2",
"formula_reduced": "MnPd",
"formula_anonymous": "AB",
"energy_above_hull": 2.1119764706896555,
"spacegroup": 123
},
{
"id": "jvasp-91813",
"created_at": "2022-09-04T14:35:50.902657Z",
"updated_at": "2022-09-04T14:35:50.902684Z",
"structure_string": "Mn3 Pd5\n1.0\n0.000000 -3.857093 0.000000\n-3.946721 0.000000 -3.791777\n3.946721 0.000000 -3.791777\nMn Pd\n3 5\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.745016 0.254985 Mn\n0.500000 0.254985 0.745016 Mn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.231191 0.231191 Pd\n0.500000 0.768810 0.768810 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Pd"
],
"chemical_system": "Mn-Pd",
"density": 10.024415284500972,
"density_atomic": 0.0692979945379611,
"volume": 115.4434562405358,
"volume_molar": 8.690209291267587,
"formula_full": "Mn3 Pd5",
"formula_reduced": "Mn3Pd5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.060696278017241,
"spacegroup": 65
},
{
"id": "jvasp-109707",
"created_at": "2022-09-04T14:38:28.265800Z",
"updated_at": "2022-09-04T14:38:28.265819Z",
"structure_string": "Mn1 Pd3\n1.0\n2.754243 0.038289 8.511742\n1.374646 2.386980 8.511742\n0.065185 0.038289 8.946026\nMn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.255744 0.255743 0.255742 Pd\n0.500001 0.500000 0.499999 Pd\n0.744258 0.744258 0.744255 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pd"
],
"chemical_system": "Mn-Pd",
"density": 10.98013174018964,
"density_atomic": 0.0706833184290065,
"volume": 56.59043871882661,
"volume_molar": 8.519889690873198,
"formula_full": "Mn1 Pd3",
"formula_reduced": "MnPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3283035853448277,
"spacegroup": 166
},
{
"id": "jvasp-20498",
"created_at": "2022-09-04T14:38:18.231026Z",
"updated_at": "2022-09-04T14:38:18.231045Z",
"structure_string": "Mn1 Pd1\n1.0\n2.987902 0.000000 0.000000\n0.000000 2.987902 0.000000\n-0.000000 -0.000000 2.987902\nMn Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Pd"
],
"chemical_system": "Mn-Pd",
"density": 10.044785656890529,
"density_atomic": 0.07497749882967195,
"volume": 26.674669483753313,
"volume_molar": 8.03193071788195,
"formula_full": "Mn1 Pd1",
"formula_reduced": "MnPd",
"formula_anonymous": "AB",
"energy_above_hull": 2.237036470689655,
"spacegroup": 221
},
{
"id": "jvasp-15424",
"created_at": "2022-09-04T14:37:16.143587Z",
"updated_at": "2022-09-04T14:37:16.143612Z",
"structure_string": "Mn1 Rh2 Pb1\n1.0\n3.915559 0.000000 2.260650\n1.305186 3.691625 2.260650\n0.000000 0.000000 4.521299\nMn Rh Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750001 0.750000 Rh\n0.500000 0.500001 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Rh",
"Pb"
],
"chemical_system": "Mn-Pb-Rh",
"density": 11.889759869399121,
"density_atomic": 0.061204789988076394,
"volume": 65.3543619834209,
"volume_molar": 9.839329178603835,
"formula_full": "Mn1 Rh2 Pb1",
"formula_reduced": "MnRh2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.559456015344828,
"spacegroup": 225
},
{
"id": "jvasp-59615",
"created_at": "2022-09-04T14:37:15.760508Z",
"updated_at": "2022-09-04T14:37:15.760526Z",
"structure_string": "Mn12 P4\n1.0\n4.192648 0.000000 1.488462\n2.096326 6.304891 0.744223\n-0.013036 0.000009 6.685801\nMn P\n12 4\ndirect\n0.341367 0.676073 0.616780 Mn\n0.041854 0.616780 0.323927 Mn\n0.982561 0.383220 0.676072 Mn\n0.634220 0.323927 0.383219 Mn\n0.930553 0.047184 0.607349 Mn\n0.462097 0.607350 0.952815 Mn\n0.022263 0.392650 0.047184 Mn\n0.585088 0.952816 0.392650 Mn\n0.132261 0.976879 0.186976 Mn\n0.680764 0.186977 0.023121 Mn\n0.890862 0.813023 0.976878 Mn\n0.296115 0.023121 0.813023 Mn\n0.203271 0.250347 0.330723 P\n0.466005 0.330723 0.749652 P\n0.546382 0.669277 0.250347 P\n0.784342 0.749653 0.669276 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 7.353176303180815,
"density_atomic": 0.09046905028282552,
"volume": 176.85606237691886,
"volume_molar": 6.65657563683216,
"formula_full": "Mn12 P4",
"formula_reduced": "Mn3P",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8342618060344815,
"spacegroup": 82
},
{
"id": "jvasp-9157",
"created_at": "2022-09-04T14:37:36.314708Z",
"updated_at": "2022-09-04T14:37:36.314735Z",
"structure_string": "Mn2 P8\n1.0\n-5.144923 -0.003441 0.000480\n-0.388656 -5.853494 0.004766\n2.570176 1.928472 4.940359\nMn P\n2 8\ndirect\n0.001310 0.724092 0.215971 Mn\n0.998690 0.275908 0.784030 Mn\n0.443809 0.197270 0.044004 P\n0.556191 0.802730 0.955997 P\n0.448885 0.695298 0.510753 P\n0.551115 0.304702 0.489249 P\n0.126826 0.668327 0.882265 P\n0.873174 0.331672 0.117736 P\n0.879664 0.848318 0.578598 P\n0.120336 0.151682 0.421403 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 3.9905778351895838,
"density_atomic": 0.06719064419903713,
"volume": 148.83024443666972,
"volume_molar": 8.96276681342832,
"formula_full": "Mn2 P8",
"formula_reduced": "MnP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.364397848275862,
"spacegroup": 2
},
{
"id": "jvasp-20213",
"created_at": "2022-09-04T14:37:41.334599Z",
"updated_at": "2022-09-04T14:37:41.334617Z",
"structure_string": "Mn6 P3\n1.0\n3.042970 -5.270578 0.000000\n3.042970 5.270578 -0.000000\n0.000000 -0.000000 3.273546\nMn P\n6 3\ndirect\n0.256506 0.256506 0.000000 Mn\n0.743494 -0.000000 0.000000 Mn\n0.599194 0.599194 0.500001 Mn\n-0.000000 0.743494 0.000000 Mn\n0.400806 -0.000000 0.500001 Mn\n-0.000000 0.400806 0.500001 Mn\n0.333333 0.666667 -0.000006 P\n0.000000 0.000000 0.500001 P\n0.666667 0.333333 0.000006 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 6.682244893970557,
"density_atomic": 0.08571131340242064,
"volume": 105.0036412083008,
"volume_molar": 7.026074529654711,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
},
{
"id": "jvasp-50902",
"created_at": "2022-09-04T14:36:54.258636Z",
"updated_at": "2022-09-04T14:36:54.258645Z",
"structure_string": "Mn2 P4\n1.0\n2.760859 0.000000 0.000000\n0.000000 5.089573 0.000000\n0.000000 -0.000000 5.818412\nMn P\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.172504 0.373046 P\n0.500000 0.327495 0.873045 P\n0.500000 0.672504 0.126954 P\n0.000000 0.827495 0.626954 P\n",
"nsites": 6,
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"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 4.747991611786267,
"density_atomic": 0.07338734987042925,
"volume": 81.75795979270869,
"volume_molar": 8.205965702035202,
"formula_full": "Mn2 P4",
"formula_reduced": "MnP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.872602747126437,
"spacegroup": 58
}
]
}