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=-energy_above_hull&page=3554",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3552",
"results": [
{
"id": "jvasp-103406",
"created_at": "2022-09-04T14:36:38.045264Z",
"updated_at": "2022-09-04T14:36:38.045294Z",
"structure_string": "U1 F3\n1.0\n4.171983 -0.000000 -0.000000\n-2.085992 3.613043 0.000000\n0.000000 0.000000 4.623573\nU F\n1 3\ndirect\n0.000000 0.000000 0.500000 U\n0.666666 0.333333 0.385501 F\n0.333333 0.666666 0.614499 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"F"
],
"chemical_system": "F-U",
"density": 7.029318814586182,
"density_atomic": 0.05739401567624669,
"volume": 69.69367716947283,
"volume_molar": 10.492628349914094,
"formula_full": "U1 F3",
"formula_reduced": "UF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5045092118750001,
"spacegroup": 164
},
{
"id": "jvasp-63989",
"created_at": "2022-09-04T14:36:08.559473Z",
"updated_at": "2022-09-04T14:36:08.559493Z",
"structure_string": "Ba4 Si1 Pb1\n1.0\n0.000000 4.939400 4.939400\n4.939400 0.000000 4.939400\n4.939400 4.939400 0.000000\nBa Si Pb\n4 1 1\ndirect\n0.123901 0.625366 0.625366 Ba\n0.625366 0.625366 0.625366 Ba\n0.625366 0.123901 0.625366 Ba\n0.625366 0.625366 0.123901 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pb"
],
"chemical_system": "Ba-Pb-Si",
"density": 5.4055665125028565,
"density_atomic": 0.024894227982070322,
"volume": 241.01972570996801,
"volume_molar": 24.190911902700307,
"formula_full": "Ba4 Si1 Pb1",
"formula_reduced": "Ba4SiPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5044272166666665,
"spacegroup": 216
},
{
"id": "jvasp-22637",
"created_at": "2022-09-04T14:36:44.679715Z",
"updated_at": "2022-09-04T14:36:44.679739Z",
"structure_string": "Cd1 In2 Se4\n1.0\n5.859546 0.000000 0.000000\n0.000000 5.859546 0.000000\n0.000000 -0.000000 5.987832\nCd In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.723590 0.276410 0.770082 Se\n0.276410 0.276410 0.229918 Se\n0.276410 0.723590 0.770082 Se\n0.723590 0.723590 0.229918 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"In",
"Se"
],
"chemical_system": "Cd-In-Se",
"density": 5.313771305578701,
"density_atomic": 0.034048697034280616,
"volume": 205.5878964458558,
"volume_molar": 17.686846442132104,
"formula_full": "Cd1 In2 Se4",
"formula_reduced": "Cd(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.504388581428571,
"spacegroup": 111
},
{
"id": "jvasp-41325",
"created_at": "2022-09-04T14:37:43.810917Z",
"updated_at": "2022-09-04T14:37:43.810940Z",
"structure_string": "Na1 Tl1 Pd2\n1.0\n0.000000 3.318497 3.318497\n3.318497 0.000000 3.318497\n3.318497 3.318497 0.000000\nNa Tl Pd\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Na\n0.750001 0.750001 0.750001 Tl\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Pd"
],
"chemical_system": "Na-Pd-Tl",
"density": 10.001329731779496,
"density_atomic": 0.05472751233967014,
"volume": 73.0893809894687,
"volume_molar": 11.003863509496213,
"formula_full": "Na1 Tl1 Pd2",
"formula_reduced": "NaTlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5042407625,
"spacegroup": 225
},
{
"id": "jvasp-94347",
"created_at": "2022-09-04T14:36:10.049785Z",
"updated_at": "2022-09-04T14:36:10.049813Z",
"structure_string": "La2 Mg4\n1.0\n6.066376 -0.000000 -0.000000\n-3.033188 5.253635 0.000000\n0.000000 -0.000000 5.339463\nLa Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 La\n0.333333 0.666668 0.500000 La\n0.000000 0.700968 0.000000 Mg\n0.700968 0.000000 0.000000 Mg\n0.299033 0.299033 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 3.659564391206906,
"density_atomic": 0.035258549961367514,
"volume": 170.17149050582478,
"volume_molar": 17.079944486084674,
"formula_full": "La2 Mg4",
"formula_reduced": "LaMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5041502380952383,
"spacegroup": 189
},
{
"id": "jvasp-65089",
"created_at": "2022-09-04T14:36:13.196490Z",
"updated_at": "2022-09-04T14:36:13.196515Z",
"structure_string": "Na4 Be1 Si1\n1.0\n0.000000 4.139593 4.139593\n4.139593 0.000000 4.139593\n4.139593 4.139593 0.000000\nNa Be Si\n4 1 1\ndirect\n0.126053 0.624648 0.624648 Na\n0.624648 0.624648 0.624648 Na\n0.624648 0.126053 0.624648 Na\n0.624648 0.624648 0.126053 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Be",
"Si"
],
"chemical_system": "Be-Na-Si",
"density": 1.510521548126824,
"density_atomic": 0.04229103589305953,
"volume": 141.87403721138628,
"volume_molar": 14.239757037940766,
"formula_full": "Na4 Be1 Si1",
"formula_reduced": "Na4BeSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5041367833333332,
"spacegroup": 216
},
{
"id": "jvasp-68886",
"created_at": "2022-09-04T14:35:49.740676Z",
"updated_at": "2022-09-04T14:35:49.740706Z",
"structure_string": "Ca1 Be1 Pb2\n1.0\n-2.242259 2.242259 4.990316\n2.242259 -2.242259 4.990316\n2.242259 2.242259 -4.990316\nCa Be Pb\n1 1 2\ndirect\n0.750001 0.250000 0.500000 Ca\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Pb\n0.250000 0.750001 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Pb"
],
"chemical_system": "Be-Ca-Pb",
"density": 7.66884652229852,
"density_atomic": 0.03985661404157034,
"volume": 100.35975448963153,
"volume_molar": 15.109514204390075,
"formula_full": "Ca1 Be1 Pb2",
"formula_reduced": "CaBePb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.50407704,
"spacegroup": 119
},
{
"id": "jvasp-99427",
"created_at": "2022-09-04T14:36:10.385120Z",
"updated_at": "2022-09-04T14:36:10.385140Z",
"structure_string": "Mg4 Sc2\n1.0\n8.379569 0.016764 0.000000\n-7.750248 3.186080 0.000000\n0.000000 0.000000 5.135281\nMg Sc\n4 2\ndirect\n0.108887 0.891113 0.250000 Mg\n0.776002 0.223996 0.250000 Mg\n0.891112 0.108886 0.750000 Mg\n0.223997 0.776002 0.750000 Mg\n0.443059 0.556940 0.250000 Sc\n0.556940 0.443059 0.750000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.255515511949338,
"density_atomic": 0.04355121949973527,
"volume": 137.76881724371626,
"volume_molar": 13.827720163006244,
"formula_full": "Mg4 Sc2",
"formula_reduced": "Mg2Sc",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5039383833333333,
"spacegroup": 63
},
{
"id": "jvasp-91537",
"created_at": "2022-09-04T14:36:21.017149Z",
"updated_at": "2022-09-04T14:36:21.017182Z",
"structure_string": "Pb4 S4\n1.0\n4.099677 0.000000 0.000000\n0.000000 5.647366 5.419833\n0.000000 -5.647366 5.419833\nPb S\n4 4\ndirect\n0.000000 0.344968 0.675264 Pb\n0.000000 0.675264 0.344968 Pb\n0.500000 0.138955 0.138955 Pb\n0.000000 0.825621 0.825621 Pb\n0.500000 0.106776 0.767213 S\n0.500000 0.767213 0.106776 S\n0.000000 0.317769 0.317769 S\n0.500000 0.627633 0.627633 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 6.332523148326409,
"density_atomic": 0.031877078367800356,
"volume": 250.96402837472561,
"volume_molar": 18.891758807115398,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.50386541,
"spacegroup": 38
},
{
"id": "jvasp-22645",
"created_at": "2022-09-04T14:35:53.670084Z",
"updated_at": "2022-09-04T14:35:53.670107Z",
"structure_string": "Cd1 In2 Se4\n1.0\n5.341766 0.000000 -2.383699\n-1.063698 5.234789 -2.383699\n0.033391 0.040858 7.252011\nCd In Se\n1 2 4\ndirect\n0.500000 0.500000 -0.000000 Cd\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.334638 0.334638 0.228508 Se\n0.665363 0.106129 0.771492 Se\n0.893871 0.893871 0.228508 Se\n0.106129 0.665363 0.771492 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"In",
"Se"
],
"chemical_system": "Cd-In-Se",
"density": 5.359635286606352,
"density_atomic": 0.03434257659834033,
"volume": 203.82862013732216,
"volume_molar": 17.535494876907492,
"formula_full": "Cd1 In2 Se4",
"formula_reduced": "Cd(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5038385814285711,
"spacegroup": 121
},
{
"id": "jvasp-3498",
"created_at": "2022-09-04T14:35:47.639778Z",
"updated_at": "2022-09-04T14:35:47.639809Z",
"structure_string": "Cd1 In2 Se4\n1.0\n5.406660 0.000000 -2.412657\n-1.076620 5.298382 -2.412657\n-0.031225 -0.038208 7.194399\nCd In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000001 In\n0.249999 0.749999 0.499999 In\n0.860680 0.908800 0.277125 Se\n0.631673 0.139319 0.722874 Se\n0.091199 0.583554 0.722874 Se\n0.416445 0.368326 0.277125 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"In",
"Se"
],
"chemical_system": "Cd-In-Se",
"density": 5.326466121170853,
"density_atomic": 0.03413004075517983,
"volume": 205.0979092059135,
"volume_molar": 17.644692554567303,
"formula_full": "Cd1 In2 Se4",
"formula_reduced": "Cd(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5037428671428568,
"spacegroup": 82
},
{
"id": "jvasp-118886",
"created_at": "2022-09-04T14:38:47.789303Z",
"updated_at": "2022-09-04T14:38:47.789317Z",
"structure_string": "Li1 F2\n1.0\n3.679701 -0.000000 0.000000\n-1.839851 3.186715 0.000000\n0.000000 0.000000 3.512571\nLi F\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666665 0.000000 F\n0.666665 0.333332 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 1.8116741995503978,
"density_atomic": 0.07283504415598137,
"volume": 41.18896383964962,
"volume_molar": 8.268191266697336,
"formula_full": "Li1 F2",
"formula_reduced": "LiF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5037234274999999,
"spacegroup": 191
}
]
}