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=created_at&page=3513",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3511",
"results": [
{
"id": "jvasp-20620",
"created_at": "2022-09-04T14:38:11.415034Z",
"updated_at": "2022-09-04T14:38:11.415056Z",
"structure_string": "Y1 B6\n1.0\n4.094823 -0.000000 0.000000\n0.000000 4.094823 -0.000000\n0.000000 -0.000000 4.094823\nY B\n1 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.801231 0.500000 0.500000 B\n0.198768 0.500000 0.500000 B\n0.500000 0.500000 0.801231 B\n0.500000 0.500000 0.198768 B\n0.500000 0.198768 0.500000 B\n0.500000 0.801231 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Y",
"B"
],
"chemical_system": "B-Y",
"density": 3.718951672848112,
"density_atomic": 0.10195126951316433,
"volume": 68.6602534075962,
"volume_molar": 5.9068815805402,
"formula_full": "Y1 B6",
"formula_reduced": "YB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.791585850000001,
"spacegroup": 221
},
{
"id": "jvasp-37589",
"created_at": "2022-09-04T14:38:11.416353Z",
"updated_at": "2022-09-04T14:38:11.416369Z",
"structure_string": "Tm1 Mn12\n1.0\n-4.116774 4.116774 2.277606\n4.116774 -4.116774 2.277606\n4.116774 4.116774 -2.277606\nTm Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000000 0.500001 Mn\n0.500002 1.000000 0.000000 Mn\n1.000000 0.500002 0.000000 Mn\n-0.000000 0.364349 0.364349 Mn\n0.000000 0.635650 0.635650 Mn\n0.635650 0.000000 0.635650 Mn\n0.364349 -0.000000 0.364349 Mn\n0.499999 0.275532 0.775532 Mn\n0.500001 0.724467 0.224466 Mn\n0.724467 0.500001 0.224466 Mn\n0.275532 0.499999 0.775532 Mn\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tm",
"Mn"
],
"chemical_system": "Mn-Tm",
"density": 8.906905230348231,
"density_atomic": 0.08419585484041656,
"volume": 154.40190048120525,
"volume_molar": 7.152538294687153,
"formula_full": "Tm1 Mn12",
"formula_reduced": "TmMn12",
"formula_anonymous": "AB12",
"energy_above_hull": 4.931567011273209,
"spacegroup": 139
},
{
"id": "jvasp-44623",
"created_at": "2022-09-04T14:38:11.419818Z",
"updated_at": "2022-09-04T14:38:11.419842Z",
"structure_string": "Mn6 Fe2 O16\n1.0\n5.669855 0.000019 0.000077\n-2.834912 4.910210 -0.000153\n0.000172 -0.000297 8.605487\nMn Fe O\n6 2 16\ndirect\n0.167326 0.832694 0.209306 Mn\n0.167320 0.334650 0.209281 Mn\n0.665364 0.832697 0.209295 Mn\n0.334635 0.167332 0.709294 Mn\n0.832674 0.665368 0.709306 Mn\n0.832679 0.167329 0.709281 Mn\n0.333332 0.666665 0.488715 Fe\n0.666667 0.333333 0.988715 Fe\n0.829968 0.659919 0.100375 O\n0.666661 0.333335 0.595583 O\n0.522375 0.044767 0.841648 O\n0.522379 0.477636 0.841676 O\n0.659910 0.829942 0.600367 O\n0.340090 0.170032 0.100366 O\n0.477624 0.522390 0.341647 O\n0.000002 0.000039 0.319602 O\n0.170045 0.340083 0.600357 O\n0.999997 0.000037 0.819603 O\n0.955239 0.477636 0.841662 O\n0.333339 0.666674 0.095583 O\n0.044760 0.522394 0.341661 O\n0.170031 0.829949 0.600375 O\n0.477620 0.955256 0.341676 O\n0.829954 0.170039 0.100357 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.833100777979907,
"density_atomic": 0.10017582555737488,
"volume": 239.57875931108944,
"volume_molar": 6.011570881989756,
"formula_full": "Mn6 Fe2 O16",
"formula_reduced": "Mn3FeO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.463281268678161,
"spacegroup": 186
},
{
"id": "jvasp-37170",
"created_at": "2022-09-04T14:38:11.420796Z",
"updated_at": "2022-09-04T14:38:11.420816Z",
"structure_string": "Na1 Dy1 Se2\n1.0\n-2.060886 -3.569560 -0.000000\n-4.121772 0.000000 -0.000000\n-2.060886 -1.189853 -6.910682\nNa Dy Se\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Dy\n0.744119 0.744121 0.767639 Se\n0.255880 0.255881 0.232360 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Dy",
"Se"
],
"chemical_system": "Dy-Na-Se",
"density": 5.608441357181806,
"density_atomic": 0.03934055036307106,
"volume": 101.67625930710915,
"volume_molar": 15.307718637441782,
"formula_full": "Na1 Dy1 Se2",
"formula_reduced": "NaDySe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4219105583333333,
"spacegroup": 166
},
{
"id": "jvasp-37744",
"created_at": "2022-09-04T14:38:11.421421Z",
"updated_at": "2022-09-04T14:38:11.421442Z",
"structure_string": "W2 N4\n1.0\n4.839939 -0.000000 0.000000\n0.000000 4.839939 0.000000\n0.000000 0.000000 2.969702\nW N\n2 4\ndirect\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.697264 0.697264 0.000000 N\n0.302736 0.302736 0.000000 N\n0.197264 0.802736 0.500000 N\n0.802736 0.197264 0.500000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 10.113975187741058,
"density_atomic": 0.08624990051342935,
"volume": 69.56529763261331,
"volume_molar": 6.982200239248202,
"formula_full": "W2 N4",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.309018833333333,
"spacegroup": 136
},
{
"id": "jvasp-77043",
"created_at": "2022-09-04T14:38:11.423119Z",
"updated_at": "2022-09-04T14:38:11.423140Z",
"structure_string": "Hf2 Tc1 Ir1\n1.0\n-10.708812 3.508569 -0.453267\n-7.641627 1.106426 1.999281\n-6.312454 4.865895 -0.302916\nHf Tc Ir\n2 1 1\ndirect\n0.749976 0.000035 0.000036 Hf\n0.250025 -0.000037 -0.000037 Hf\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000001 -0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"Ir"
],
"chemical_system": "Hf-Ir-Tc",
"density": 15.562936621907332,
"density_atomic": 0.05792498729658711,
"volume": 69.05482740150167,
"volume_molar": 10.396447269233702,
"formula_full": "Hf2 Tc1 Ir1",
"formula_reduced": "Hf2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.03318965,
"spacegroup": 225
},
{
"id": "jvasp-48229",
"created_at": "2022-09-04T14:38:11.424168Z",
"updated_at": "2022-09-04T14:38:11.424185Z",
"structure_string": "Fe4 C6 O18\n1.0\n7.575500 -0.000510 -0.012585\n-2.482652 7.157105 0.007472\n-2.472710 -3.492434 6.251077\nFe C O\n4 6 18\ndirect\n0.042550 0.547780 0.163660 Fe\n0.164276 0.042482 0.547237 Fe\n0.450337 0.450271 0.449718 Fe\n0.547848 0.164207 0.041931 Fe\n0.946202 0.174930 0.256137 C\n0.599972 0.410994 0.806634 C\n0.807259 0.599906 0.410460 C\n0.256718 0.946148 0.174374 C\n0.175003 0.256676 0.945607 C\n0.411062 0.807185 0.599349 C\n0.352792 0.315237 0.109007 O\n0.978810 0.709459 0.405960 O\n0.740363 0.396961 0.345507 O\n0.684495 0.473362 0.704346 O\n0.704982 0.684437 0.472836 O\n0.709528 0.406492 0.978183 O\n0.315267 0.109543 0.352165 O\n0.397032 0.346051 0.739764 O\n0.109591 0.352712 0.314658 O\n0.473428 0.704900 0.683875 O\n0.346113 0.740296 0.396404 O\n0.406573 0.978740 0.708906 O\n0.949255 0.081226 0.368658 O\n0.093956 0.078285 0.774710 O\n0.078334 0.775236 0.093322 O\n0.081270 0.369165 0.948633 O\n0.369213 0.949188 0.080645 O\n0.775285 0.093850 0.077753 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-O",
"density": 2.85968974054281,
"density_atomic": 0.08264880212479872,
"volume": 338.7828895296066,
"volume_molar": 7.286422313667218,
"formula_full": "Fe4 C6 O18",
"formula_reduced": "Fe2(CO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 4.03042732142857,
"spacegroup": 146
},
{
"id": "jvasp-109888",
"created_at": "2022-09-04T14:38:11.428156Z",
"updated_at": "2022-09-04T14:38:11.428179Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n6.428489 -0.000000 3.711490\n2.142830 6.060837 3.711490\n-0.000000 -0.000000 7.422979\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.756205 0.243796 0.243795 Cl\n0.243796 0.243796 0.756205 Cl\n0.243795 0.756205 0.756204 Cl\n0.243795 0.756205 0.243795 Cl\n0.756205 0.243796 0.756205 Cl\n0.756205 0.756205 0.243795 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Lu-Rb",
"density": 3.8266805757388305,
"density_atomic": 0.03457643861175291,
"volume": 289.2142858403262,
"volume_molar": 17.416891391333195,
"formula_full": "Rb2 Lu1 Ag1 Cl6",
"formula_reduced": "Rb2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-14503",
"created_at": "2022-09-04T14:38:11.429547Z",
"updated_at": "2022-09-04T14:38:11.429556Z",
"structure_string": "Pr1 Al4\n1.0\n4.009048 0.000000 -1.600929\n-0.639297 3.957748 -1.600929\n0.247228 0.290367 6.439307\nPr Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.612268 0.612268 0.224536 Al\n0.250000 0.750001 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.387732 0.387733 0.775465 Al\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Pr",
"Al"
],
"chemical_system": "Al-Pr",
"density": 3.901833745296962,
"density_atomic": 0.0472150319388367,
"volume": 105.89847755429034,
"volume_molar": 12.75471076203274,
"formula_full": "Pr1 Al4",
"formula_reduced": "PrAl4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.7280082100000005,
"spacegroup": 139
},
{
"id": "jvasp-27488",
"created_at": "2022-09-04T14:38:11.431136Z",
"updated_at": "2022-09-04T14:38:11.431164Z",
"structure_string": "Sr6 Zn2 Pt2 O12\n1.0\n6.732853 0.026546 -0.189587\n-0.195747 6.730060 -0.189587\n0.025685 0.026546 6.735473\nSr Zn Pt O\n6 2 2 12\ndirect\n0.885634 0.250001 0.614365 Sr\n0.385634 0.114366 0.749999 Sr\n0.749999 0.385635 0.114365 Sr\n0.114365 0.750000 0.385634 Sr\n0.614365 0.885635 0.249999 Sr\n0.249999 0.614366 0.885634 Sr\n0.749999 0.750001 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500001 0.499999 Pt\n0.000000 0.000000 0.000000 Pt\n0.960074 0.093038 0.287388 O\n0.593036 0.460076 0.787388 O\n0.212611 0.406963 0.539924 O\n0.539924 0.212612 0.406962 O\n0.406962 0.539925 0.212611 O\n0.906962 0.712612 0.039924 O\n0.039924 0.906963 0.712610 O\n0.712610 0.039926 0.906962 O\n0.787388 0.593038 0.460074 O\n0.460074 0.787389 0.593036 O\n0.287388 0.960075 0.093037 O\n0.093036 0.287389 0.960074 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Pt",
"O"
],
"chemical_system": "O-Pt-Sr-Zn",
"density": 6.737252084085985,
"density_atomic": 0.07205940369037127,
"volume": 305.3036643840516,
"volume_molar": 8.357189279384352,
"formula_full": "Sr6 Zn2 Pt2 O12",
"formula_reduced": "Sr3ZnPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3149383390909088,
"spacegroup": 167
},
{
"id": "jvasp-9331",
"created_at": "2022-09-04T14:38:11.433261Z",
"updated_at": "2022-09-04T14:38:11.433292Z",
"structure_string": "Y1 Re1 W2 O8\n1.0\n-5.043371 0.046708 -0.041694\n-0.306702 -5.820685 -0.020259\n2.173297 2.235459 5.311744\nY Re W O\n1 1 2 8\ndirect\n0.525188 0.276414 0.900615 Y\n0.024427 0.776065 0.900033 Re\n0.280719 0.603352 0.418521 W\n0.768746 0.950885 0.382307 W\n0.324289 0.316474 0.181190 O\n0.259033 0.540101 0.694889 O\n0.367986 0.791452 0.203874 O\n0.173753 0.969504 0.579951 O\n0.788984 0.012264 0.104455 O\n0.728064 0.237423 0.621068 O\n0.681690 0.762886 0.596454 O\n0.877016 0.584686 0.220546 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Re",
"W",
"O"
],
"chemical_system": "O-Re-W-Y",
"density": 8.242805595717687,
"density_atomic": 0.07728091099266296,
"volume": 155.27767266019004,
"volume_molar": 7.7925333470405675,
"formula_full": "Y1 Re1 W2 O8",
"formula_reduced": "YRe(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.393930954166667,
"spacegroup": 2
},
{
"id": "jvasp-109940",
"created_at": "2022-09-04T14:38:11.441720Z",
"updated_at": "2022-09-04T14:38:11.441748Z",
"structure_string": "Dy1 Ag3\n1.0\n3.973799 -0.083810 -3.286828\n-0.932460 3.863758 -3.286828\n0.067433 0.083810 5.156527\nDy Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Ag"
],
"chemical_system": "Ag-Dy",
"density": 9.965900844924343,
"density_atomic": 0.04938530325290285,
"volume": 80.99575656174353,
"volume_molar": 12.19419617443783,
"formula_full": "Dy1 Ag3",
"formula_reduced": "DyAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08197957,
"spacegroup": 139
}
]
}