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=-volume&page=474",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=472",
"results": [
{
"id": "jvasp-106225",
"created_at": "2022-09-04T14:36:57.334572Z",
"updated_at": "2022-09-04T14:36:57.334581Z",
"structure_string": "Rb3 Lu1 Cl6\n1.0\n6.843047 -0.000000 3.950835\n2.281016 6.451686 3.950835\n-0.000000 0.000000 7.901670\nRb Lu Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Lu\n0.771017 0.228984 0.228983 Cl\n0.228984 0.228984 0.771016 Cl\n0.228984 0.771017 0.771015 Cl\n0.228984 0.771017 0.228983 Cl\n0.771017 0.228984 0.771015 Cl\n0.771017 0.771017 0.228982 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Lu",
"Cl"
],
"chemical_system": "Cl-Lu-Rb",
"density": 3.065864394024863,
"density_atomic": 0.02866542378075784,
"volume": 348.8523343133923,
"volume_molar": 21.008378616898263,
"formula_full": "Rb3 Lu1 Cl6",
"formula_reduced": "Rb3LuCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-63762",
"created_at": "2022-09-04T14:36:17.501124Z",
"updated_at": "2022-09-04T14:36:17.501151Z",
"structure_string": "Rb3 B12 H12 I1\n1.0\n4.827283 -5.143993 -0.001822\n4.827283 5.143993 -0.001822\n-0.651550 -0.000000 7.024159\nRb B H I\n3 12 12 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.121406 0.121406 0.841311 B\n0.121406 0.841310 0.121406 B\n0.841310 0.121406 0.121406 B\n0.878594 0.158689 0.878594 B\n0.233159 0.060309 0.060309 B\n0.158689 0.878594 0.878594 B\n0.939691 0.939691 0.766841 B\n0.939691 0.766840 0.939692 B\n0.766840 0.939691 0.939692 B\n0.060309 0.060309 0.233160 B\n0.060309 0.233159 0.060309 B\n0.878594 0.878594 0.158690 B\n0.208987 0.208987 0.729672 H\n0.208987 0.729672 0.208987 H\n0.729672 0.208987 0.208987 H\n0.791012 0.270328 0.791013 H\n0.102977 0.102977 0.398921 H\n0.270328 0.791012 0.791013 H\n0.102977 0.398921 0.102977 H\n0.398921 0.102977 0.102977 H\n0.897022 0.601079 0.897023 H\n0.601079 0.897022 0.897023 H\n0.791012 0.791012 0.270328 H\n0.897022 0.897022 0.601080 H\n0.500000 0.500000 0.500000 I\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"B",
"H",
"I"
],
"chemical_system": "B-H-I-Rb",
"density": 2.4998153642038434,
"density_atomic": 0.08026861657776321,
"volume": 348.82873523644145,
"volume_molar": 7.50248480259508,
"formula_full": "Rb3 B12 H12 I1",
"formula_reduced": "Rb3B12H12I",
"formula_anonymous": "AB3C12D12",
"energy_above_hull": 3.7171981169642856,
"spacegroup": 166
},
{
"id": "jvasp-98575",
"created_at": "2022-09-04T14:36:08.959368Z",
"updated_at": "2022-09-04T14:36:08.959405Z",
"structure_string": "Ba5 Ga5 Pb1\n1.0\n6.076206 0.000020 -0.000000\n-3.038085 5.263816 -0.000001\n-0.000001 -0.000001 10.905934\nBa Ga Pb\n5 5 1\ndirect\n0.999958 0.999908 0.331723 Ba\n0.666615 0.333244 0.203992 Ba\n0.666615 0.333243 0.796008 Ba\n0.999959 -0.000093 0.668277 Ba\n0.333374 0.666729 0.000000 Ba\n0.333373 0.666769 0.674873 Ga\n0.515736 0.484089 0.500000 Ga\n0.515919 0.031786 0.500000 Ga\n0.333373 0.666770 0.325126 Ga\n0.968343 0.484088 0.500000 Ga\n0.000071 0.000139 0.999999 Pb\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Pb"
],
"chemical_system": "Ba-Ga-Pb",
"density": 5.9146784414329865,
"density_atomic": 0.03153521570319259,
"volume": 348.8163868460989,
"volume_molar": 19.096558008925637,
"formula_full": "Ba5 Ga5 Pb1",
"formula_reduced": "Ba5Ga5Pb",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-28746",
"created_at": "2022-09-04T14:37:45.531689Z",
"updated_at": "2022-09-04T14:37:45.531719Z",
"structure_string": "Te2 Mo4 Se4 S2\n1.0\n3.348235 -0.000000 -0.000000\n-1.674117 2.899663 0.000020\n-0.000000 -0.000169 35.920483\nTe Mo Se S\n2 4 4 2\ndirect\n0.666640 0.333278 0.415293 Te\n0.666631 0.333260 0.521120 Te\n0.333355 0.666710 0.098259 Mo\n0.333301 0.666602 0.468223 Mo\n0.666680 0.333361 0.274524 Mo\n0.666661 0.333321 0.661943 Mo\n0.333346 0.666693 0.320909 Se\n0.333326 0.666655 0.708282 Se\n0.333347 0.666695 0.228121 Se\n0.333327 0.666655 0.615523 Se\n0.666694 0.333384 0.056026 S\n0.666690 0.333376 0.140525 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 4.851631645098209,
"density_atomic": 0.03440928270936997,
"volume": 348.7431023004815,
"volume_molar": 17.50150042610483,
"formula_full": "Te2 Mo4 Se4 S2",
"formula_reduced": "TeMo2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.15203605,
"spacegroup": 156
},
{
"id": "jvasp-120444",
"created_at": "2022-09-04T14:38:50.712278Z",
"updated_at": "2022-09-04T14:38:50.712307Z",
"structure_string": "Ti16 Co8\n1.0\n6.842233 -0.000000 3.950365\n2.280744 6.450919 3.950365\n-0.000000 -0.000000 7.900730\nTi Co\n16 8\ndirect\n0.125000 0.625000 0.625000 Ti\n0.436353 0.063647 0.063646 Ti\n0.063646 0.436353 0.436353 Ti\n0.063646 0.436353 0.063647 Ti\n0.436353 0.063647 0.436353 Ti\n0.436353 0.436353 0.063646 Ti\n0.813646 0.186353 0.186353 Ti\n0.186353 0.813647 0.813646 Ti\n0.063647 0.063647 0.436353 Ti\n0.813646 0.186353 0.813646 Ti\n0.186353 0.186353 0.813647 Ti\n0.813646 0.813647 0.186353 Ti\n0.624999 0.625000 0.625000 Ti\n0.624999 0.625000 0.125000 Ti\n0.625000 0.125000 0.625000 Ti\n0.186353 0.813647 0.186353 Ti\n0.843415 0.843416 0.469754 Co\n0.780245 0.406584 0.406584 Co\n0.406584 0.780246 0.406584 Co\n0.406584 0.406584 0.780245 Co\n0.406584 0.406584 0.406584 Co\n0.469753 0.843416 0.843415 Co\n0.843415 0.469754 0.843415 Co\n0.843415 0.843416 0.843415 Co\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 5.891835670031671,
"density_atomic": 0.06882156960042098,
"volume": 348.72787905513263,
"volume_molar": 8.750368227526103,
"formula_full": "Ti16 Co8",
"formula_reduced": "Ti2Co",
"formula_anonymous": "AB2",
"energy_above_hull": 3.131412522222222,
"spacegroup": 227
},
{
"id": "jvasp-12089",
"created_at": "2022-09-04T14:36:58.885069Z",
"updated_at": "2022-09-04T14:36:58.885092Z",
"structure_string": "Hg4 Br4 O12\n1.0\n4.429891 -0.000000 -1.052941\n-0.605617 8.149164 -2.547927\n-0.035961 -0.081776 9.693804\nHg Br O\n4 4 12\ndirect\n0.900604 0.017889 0.870799 Hg\n0.099395 0.982109 0.129200 Hg\n0.970194 0.517889 0.870799 Hg\n0.029806 0.482110 0.129201 Hg\n0.278326 0.662837 0.647113 Br\n0.631212 0.837161 0.352886 Br\n0.721673 0.337161 0.352886 Br\n0.368787 0.162838 0.647113 Br\n0.686936 0.047371 0.653135 O\n0.033800 0.452628 0.346864 O\n0.340309 0.215609 0.824883 O\n0.122695 0.834186 0.628822 O\n0.493873 0.665813 0.371177 O\n0.877304 0.165813 0.371177 O\n0.506126 0.334186 0.628822 O\n0.484574 0.715609 0.824883 O\n0.659691 0.784390 0.175116 O\n0.515425 0.284390 0.175116 O\n0.966199 0.547371 0.653135 O\n0.313063 0.952628 0.346864 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-O",
"density": 6.257918333119993,
"density_atomic": 0.0573621916740438,
"volume": 348.6617128168402,
"volume_molar": 10.498449561028538,
"formula_full": "Hg4 Br4 O12",
"formula_reduced": "HgBrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.176487841,
"spacegroup": 15
},
{
"id": "jvasp-97691",
"created_at": "2022-09-04T14:36:14.303656Z",
"updated_at": "2022-09-04T14:36:14.303683Z",
"structure_string": "Dy4 Mn8 O20\n1.0\n5.656007 0.000000 0.000000\n0.000000 7.232405 -0.000000\n0.000000 0.000000 8.523048\nDy Mn O\n4 8 20\ndirect\n0.000000 0.137772 0.172285 Dy\n0.000000 0.637772 0.327715 Dy\n0.000000 0.362228 0.672285 Dy\n0.000000 0.862229 0.827715 Dy\n0.255825 0.000000 0.500000 Mn\n0.744176 0.500000 0.000000 Mn\n0.744176 0.000000 0.500000 Mn\n0.255825 0.500000 0.000000 Mn\n0.500000 0.406333 0.351904 Mn\n0.500000 0.593667 0.648096 Mn\n0.500000 0.906334 0.148096 Mn\n0.500000 0.093667 0.851904 Mn\n0.000000 0.334847 0.945273 O\n0.000000 0.665154 0.054728 O\n0.000000 0.834847 0.554728 O\n0.000000 0.165154 0.445272 O\n0.245716 0.896479 0.293014 O\n0.729518 0.500000 0.500000 O\n0.270482 0.000000 0.000000 O\n0.500000 0.154815 0.431929 O\n0.500000 0.845185 0.568071 O\n0.500000 0.654816 0.068071 O\n0.500000 0.345185 0.931929 O\n0.245716 0.396479 0.206986 O\n0.245716 0.603522 0.793015 O\n0.754284 0.896479 0.293014 O\n0.754284 0.103522 0.706986 O\n0.754284 0.603522 0.793015 O\n0.754284 0.396479 0.206986 O\n0.245716 0.103522 0.706986 O\n0.729518 0.000000 0.000000 O\n0.270482 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-Mn-O",
"density": 6.713116952215912,
"density_atomic": 0.09178302517608762,
"volume": 348.6483468877534,
"volume_molar": 6.561279439685497,
"formula_full": "Dy4 Mn8 O20",
"formula_reduced": "DyMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.871002310344827,
"spacegroup": 55
},
{
"id": "jvasp-110386",
"created_at": "2022-09-04T14:38:38.908769Z",
"updated_at": "2022-09-04T14:38:38.908779Z",
"structure_string": "Rb2 Na1 Y1 Br6\n1.0\n6.841645 0.000000 3.950025\n2.280548 6.450364 3.950025\n-0.000000 -0.000000 7.900050\nRb Na Y Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.752651 0.247348 0.247349 Br\n0.247348 0.247348 0.752652 Br\n0.247348 0.752651 0.752653 Br\n0.247348 0.752651 0.247349 Br\n0.752651 0.247348 0.752653 Br\n0.752652 0.752651 0.247349 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Y",
"Br"
],
"chemical_system": "Br-Na-Rb-Y",
"density": 3.6305707594632306,
"density_atomic": 0.028683054713400512,
"volume": 348.63790136439246,
"volume_molar": 20.99546516287368,
"formula_full": "Rb2 Na1 Y1 Br6",
"formula_reduced": "Rb2NaYBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-35950",
"created_at": "2022-09-04T14:38:34.168060Z",
"updated_at": "2022-09-04T14:38:34.168085Z",
"structure_string": "Mg2 Sc4 Se8\n1.0\n-5.586040 -5.586040 -0.000000\n-5.586040 0.000000 -5.586040\n0.000000 -5.586040 -5.586040\nMg Sc Se\n2 4 8\ndirect\n0.375000 0.375000 0.375000 Mg\n0.625000 0.625000 0.625000 Mg\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.242495 0.242495 0.772513 Se\n0.242495 0.772513 0.242495 Se\n0.772513 0.242495 0.242495 Se\n0.242495 0.242495 0.242495 Se\n0.757505 0.757505 0.227487 Se\n0.757505 0.227487 0.757505 Se\n0.227487 0.757505 0.757505 Se\n0.757505 0.757505 0.757505 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Se"
],
"chemical_system": "Mg-Sc-Se",
"density": 4.096970313359772,
"density_atomic": 0.04015927985271106,
"volume": 348.6118289806657,
"volume_molar": 14.995639319447259,
"formula_full": "Mg2 Sc4 Se8",
"formula_reduced": "Mg(ScSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3786518595238095,
"spacegroup": 227
},
{
"id": "jvasp-59661",
"created_at": "2022-09-04T14:37:35.619387Z",
"updated_at": "2022-09-04T14:37:35.619427Z",
"structure_string": "Sr4 Pr4 O12\n1.0\n6.190738 0.000000 0.000000\n-0.000000 6.395359 0.000000\n0.000000 0.000000 8.805051\nSr Pr O\n4 4 12\ndirect\n0.976603 0.053221 0.250000 Sr\n0.476603 0.446780 0.750000 Sr\n0.523397 0.553221 0.250000 Sr\n0.023397 0.946780 0.750000 Sr\n0.000000 0.500000 0.000000 Pr\n0.500000 -0.000000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.637347 0.070538 0.750000 O\n0.137346 0.429462 0.250000 O\n0.702507 0.294972 0.073957 O\n0.202507 0.205028 0.926043 O\n0.797494 0.794972 0.426043 O\n0.202507 0.205028 0.573957 O\n0.297494 0.705028 0.926043 O\n0.797494 0.794972 0.073957 O\n0.362654 0.929462 0.250000 O\n0.702507 0.294972 0.426043 O\n0.297494 0.705028 0.573957 O\n0.862654 0.570538 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Pr",
"O"
],
"chemical_system": "O-Pr-Sr",
"density": 5.268725786267756,
"density_atomic": 0.05737078164972817,
"volume": 348.60950861900557,
"volume_molar": 10.496877655890424,
"formula_full": "Sr4 Pr4 O12",
"formula_reduced": "SrPrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2177473319999998,
"spacegroup": 62
},
{
"id": "jvasp-9378",
"created_at": "2022-09-04T14:38:14.155507Z",
"updated_at": "2022-09-04T14:38:14.155536Z",
"structure_string": "Er4 Cd2 S8\n1.0\n6.841453 -0.000000 3.949914\n2.280485 6.450184 3.949914\n0.000000 0.000000 7.899830\nEr Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Er\n0.500000 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 -0.000000 0.500000 Er\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875000 Cd\n0.742236 0.742236 0.742236 S\n0.257763 0.257764 0.726709 S\n0.257763 0.726708 0.257764 S\n0.726708 0.257764 0.257764 S\n0.742236 0.273291 0.742236 S\n0.273291 0.742236 0.742236 S\n0.257763 0.257764 0.257764 S\n0.742236 0.742236 0.273291 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Cd",
"S"
],
"chemical_system": "Cd-Er-S",
"density": 5.479632944612189,
"density_atomic": 0.04015964255556726,
"volume": 348.6086804838656,
"volume_molar": 14.995503885940739,
"formula_full": "Er4 Cd2 S8",
"formula_reduced": "Er2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.11428425,
"spacegroup": 227
},
{
"id": "jvasp-20159",
"created_at": "2022-09-04T14:37:53.955801Z",
"updated_at": "2022-09-04T14:37:53.955811Z",
"structure_string": "Al4 Au16\n1.0\n7.037880 0.000000 -0.000000\n-0.000000 7.037880 0.000000\n0.000000 -0.000000 7.037880\nAl Au\n4 16\ndirect\n0.064305 0.064305 0.064305 Al\n0.435695 0.935695 0.564305 Al\n0.564305 0.435695 0.935695 Al\n0.935695 0.564305 0.435695 Al\n0.283469 0.551638 0.611253 Au\n0.448362 0.111253 0.216531 Au\n0.611253 0.283469 0.551638 Au\n0.111253 0.216531 0.448362 Au\n0.051638 0.888747 0.716532 Au\n0.888747 0.716532 0.051638 Au\n0.551638 0.611253 0.283469 Au\n0.388747 0.783469 0.948362 Au\n0.216531 0.448362 0.111253 Au\n0.783469 0.948362 0.388747 Au\n0.317401 0.182599 0.817401 Au\n0.182599 0.817401 0.317401 Au\n0.817401 0.317401 0.182599 Au\n0.682599 0.682599 0.682599 Au\n0.948362 0.388747 0.783469 Au\n0.716532 0.051638 0.888747 Au\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 15.526015705949265,
"density_atomic": 0.05737258564128742,
"volume": 348.5985471361999,
"volume_molar": 10.496547597928453,
"formula_full": "Al4 Au16",
"formula_reduced": "AlAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.681526616,
"spacegroup": 198
}
]
}