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=1092",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1090",
"results": [
{
"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-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-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-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-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-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-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-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-30175",
"created_at": "2022-09-04T14:36:31.255386Z",
"updated_at": "2022-09-04T14:36:31.255405Z",
"structure_string": "Y2 I2 O2\n1.0\n3.938442 0.000000 -0.000000\n0.000000 3.938442 0.000000\n-0.000000 0.000000 9.220061\nY I O\n2 2 2\ndirect\n0.000000 0.500000 0.118839 Y\n0.500000 0.000000 0.881161 Y\n0.000000 0.500000 0.675849 I\n0.500000 0.000000 0.324150 I\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"I",
"O"
],
"chemical_system": "I-O-Y",
"density": 5.383045278805923,
"density_atomic": 0.04195353378317203,
"volume": 143.0153662623447,
"volume_molar": 14.35431110791325,
"formula_full": "Y2 I2 O2",
"formula_reduced": "YIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5047884083333338,
"spacegroup": 129
},
{
"id": "jvasp-92266",
"created_at": "2022-09-04T14:36:06.405515Z",
"updated_at": "2022-09-04T14:36:06.405533Z",
"structure_string": "Ca3 Bi1 P1\n1.0\n5.782887 0.000000 0.000000\n-0.000000 5.782887 0.000000\n0.000000 0.000000 5.782887\nCa Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"P"
],
"chemical_system": "Bi-Ca-P",
"density": 3.0927471425221653,
"density_atomic": 0.025854484681526884,
"volume": 193.39004670135688,
"volume_molar": 23.292441656370894,
"formula_full": "Ca3 Bi1 P1",
"formula_reduced": "Ca3BiP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.504880212,
"spacegroup": 221
},
{
"id": "jvasp-93439",
"created_at": "2022-09-04T14:36:10.140226Z",
"updated_at": "2022-09-04T14:36:10.140248Z",
"structure_string": "Bi2 Au4\n1.0\n4.945721 -0.000000 2.855413\n1.648574 4.662870 2.855413\n0.000000 0.000000 5.710827\nBi Au\n2 4\ndirect\n0.874999 0.875000 0.875000 Bi\n0.125000 0.125000 0.125000 Bi\n0.500000 -0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.499999 0.500000 0.500000 Au\n0.499999 0.500000 -0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"Au"
],
"chemical_system": "Au-Bi",
"density": 15.203801962526576,
"density_atomic": 0.04555849044667177,
"volume": 131.69883244975523,
"volume_molar": 13.218481782334694,
"formula_full": "Bi2 Au4",
"formula_reduced": "BiAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.50512648,
"spacegroup": 227
},
{
"id": "jvasp-39190",
"created_at": "2022-09-04T14:38:20.547735Z",
"updated_at": "2022-09-04T14:38:20.547750Z",
"structure_string": "Na2 Cr1 H2 F8\n1.0\n2.279072 0.000000 -4.880965\n-3.686394 -3.961936 -0.008642\n-3.686394 3.961936 -0.008642\nNa Cr H F\n2 1 2 8\ndirect\n0.499999 0.735376 0.264621 Na\n0.499999 0.264621 0.735376 Na\n0.000000 0.000000 0.000000 Cr\n0.780531 0.344272 0.344272 H\n0.219469 0.655728 0.655728 H\n0.776779 0.674231 0.001021 F\n0.776912 0.140879 0.140879 F\n0.223221 0.998980 0.325770 F\n0.733172 0.459442 0.459442 F\n0.266828 0.540557 0.540557 F\n0.776779 0.001021 0.674231 F\n0.223088 0.859120 0.859120 F\n0.223221 0.325770 0.998980 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Cr",
"H",
"F"
],
"chemical_system": "Cr-F-H-Na",
"density": 2.931520800563455,
"density_atomic": 0.09108006414135321,
"volume": 142.7315639548127,
"volume_molar": 6.611919761775573,
"formula_full": "Na2 Cr1 H2 F8",
"formula_reduced": "Na2CrH2F8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.5055052046153843,
"spacegroup": 12
}
]
}