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=-id&page=551",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=549",
"results": [
{
"id": "jvasp-86204",
"created_at": "2022-09-04T14:35:40.781539Z",
"updated_at": "2022-09-04T14:35:40.781549Z",
"structure_string": "Tb10 Sb2 Au4\n1.0\n6.553416 -0.000000 -3.386787\n-1.750282 6.315360 -3.386787\n0.994105 1.307090 9.957397\nTb Sb Au\n10 2 4\ndirect\n0.996968 0.496967 0.667468 Tb\n0.003034 0.503033 0.332532 Tb\n0.503034 0.329498 0.332532 Tb\n0.829499 0.003033 0.332532 Tb\n0.496967 0.670502 0.667468 Tb\n0.670503 0.170502 0.667468 Tb\n0.170502 0.996967 0.667468 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.329499 0.829498 0.332532 Tb\n0.750001 0.750000 0.500000 Sb\n0.250001 0.250000 0.500000 Sb\n0.127847 0.627847 -0.000000 Au\n0.372153 0.127847 -0.000000 Au\n0.627848 0.872153 -0.000000 Au\n0.872154 0.372153 -0.000000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Au"
],
"chemical_system": "Au-Sb-Tb",
"density": 9.256314434836009,
"density_atomic": 0.03403311144105344,
"volume": 470.13039133117667,
"volume_molar": 17.694946200938936,
"formula_full": "Tb10 Sb2 Au4",
"formula_reduced": "Tb5SbAu2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.3458979050000002,
"spacegroup": 140
},
{
"id": "jvasp-86200",
"created_at": "2022-09-04T14:36:16.317444Z",
"updated_at": "2022-09-04T14:36:16.317478Z",
"structure_string": "Mg4 H8\n1.0\n4.810839 0.000000 0.000000\n0.000000 4.810333 0.000000\n0.000000 0.000000 4.810148\nMg H\n4 8\ndirect\n0.750033 0.712742 0.000053 Mg\n0.249967 0.712742 0.500053 Mg\n0.750033 0.212742 0.499947 Mg\n0.249967 0.212742 0.999948 Mg\n0.595612 0.058385 0.154314 H\n0.095547 0.367273 0.345508 H\n0.595612 0.558385 0.345686 H\n0.904453 0.867272 0.654492 H\n0.095547 0.867272 0.154492 H\n0.404388 0.558385 0.845686 H\n0.404388 0.058385 0.654314 H\n0.904453 0.367273 0.845508 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.5705620166461787,
"density_atomic": 0.1078020059339348,
"volume": 111.31518283021617,
"volume_molar": 5.5862974977391415,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.183903016666667,
"spacegroup": 205
},
{
"id": "jvasp-8620",
"created_at": "2022-09-04T14:37:04.166674Z",
"updated_at": "2022-09-04T14:37:04.166693Z",
"structure_string": "Ce1 Cr1 O3\n1.0\n3.856734 -0.000000 -0.000000\n0.000000 3.856734 -0.000000\n0.000000 0.000000 3.856734\nCe Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.499999 0.499999 Cr\n0.000000 0.499999 0.499999 O\n0.499999 0.000000 0.499999 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cr",
"O"
],
"chemical_system": "Ce-Cr-O",
"density": 6.950256432615498,
"density_atomic": 0.08715874031595129,
"volume": 57.36659320539685,
"volume_molar": 6.909393984091189,
"formula_full": "Ce1 Cr1 O3",
"formula_reduced": "CeCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.45989668,
"spacegroup": 221
},
{
"id": "jvasp-86199",
"created_at": "2022-09-04T14:36:08.305907Z",
"updated_at": "2022-09-04T14:36:08.305936Z",
"structure_string": "Mg6 B6 Ir6\n1.0\n5.298240 -0.000000 0.000000\n-2.649121 4.588411 -0.000000\n0.000000 0.000000 9.514322\nMg B Ir\n6 6 6\ndirect\n0.000000 0.500000 0.666667 Mg\n0.000000 0.000000 0.833333 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.166667 Mg\n0.500000 0.500000 0.333333 Mg\n0.500000 0.000000 0.000000 Mg\n0.397718 0.795436 0.500000 B\n0.397718 0.602282 0.833333 B\n0.795436 0.397717 0.166667 B\n0.602283 0.397717 0.833333 B\n0.602283 0.204564 0.500000 B\n0.204564 0.602282 0.166667 B\n0.500000 0.500000 0.045542 Ir\n0.500000 0.000000 0.712209 Ir\n0.500000 0.500000 0.621124 Ir\n0.500000 0.000000 0.287791 Ir\n0.000000 0.500000 0.378876 Ir\n0.000000 0.500000 0.954458 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg",
"density": 9.792442862202686,
"density_atomic": 0.07782170118832876,
"volume": 231.29795063770123,
"volume_molar": 7.738382312443158,
"formula_full": "Mg6 B6 Ir6",
"formula_reduced": "MgBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.287517577777778,
"spacegroup": 180
},
{
"id": "jvasp-86197",
"created_at": "2022-09-04T14:36:03.968338Z",
"updated_at": "2022-09-04T14:36:03.968366Z",
"structure_string": "Mg3 Bi2\n1.0\n4.691176 -0.000000 -0.000000\n-2.345587 4.062677 -0.000000\n0.000000 -0.000000 7.463803\nMg Bi\n3 2\ndirect\n0.333333 0.666667 0.627207 Mg\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.372792 Mg\n0.333333 0.666667 0.221262 Bi\n0.666668 0.333333 0.778738 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 5.730157103890745,
"density_atomic": 0.03514922987491864,
"volume": 142.2506273335974,
"volume_molar": 17.13306602002454,
"formula_full": "Mg3 Bi2",
"formula_reduced": "Mg3Bi2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.294433922857143,
"spacegroup": 164
},
{
"id": "jvasp-86196",
"created_at": "2022-09-04T14:36:00.359532Z",
"updated_at": "2022-09-04T14:36:00.359558Z",
"structure_string": "Ho1 Si2 Au2\n1.0\n4.014408 -0.000000 -1.546290\n-0.595608 3.969978 -1.546290\n-0.036778 -0.042708 5.888674\nHo Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.386331 0.386331 0.772664 Si\n0.613668 0.613669 0.227336 Si\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Si",
"Au"
],
"chemical_system": "Au-Ho-Si",
"density": 10.944148919874886,
"density_atomic": 0.053580091700052894,
"volume": 93.31824267846604,
"volume_molar": 11.239511857711236,
"formula_full": "Ho1 Si2 Au2",
"formula_reduced": "Ho(SiAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7173655813333333,
"spacegroup": 139
},
{
"id": "jvasp-86195",
"created_at": "2022-09-04T14:35:54.629063Z",
"updated_at": "2022-09-04T14:35:54.629083Z",
"structure_string": "Pd2 Cl4\n1.0\n3.413241 0.000000 0.000000\n0.000000 3.695189 0.000000\n0.000000 -0.000000 10.991946\nPd Cl\n2 4\ndirect\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.856994 0.863741 Cl\n0.500000 0.356994 0.636260 Cl\n0.000000 0.143006 0.136259 Cl\n0.500000 0.643006 0.363741 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd",
"density": 4.247890512302875,
"density_atomic": 0.04327858510370189,
"volume": 138.63669492944635,
"volume_molar": 13.914828189438403,
"formula_full": "Pd2 Cl4",
"formula_reduced": "PdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4013712783333333,
"spacegroup": 58
},
{
"id": "jvasp-86193",
"created_at": "2022-09-04T14:35:52.226626Z",
"updated_at": "2022-09-04T14:35:52.226650Z",
"structure_string": "Sr4 Li2 Co2 N4\n1.0\n5.367137 0.000000 0.000000\n0.000000 5.367137 0.000000\n0.000000 0.000000 7.345576\nSr Li Co N\n4 2 2 4\ndirect\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.737873 0.737873 0.500000 N\n0.762128 0.237872 0.000000 N\n0.262128 0.262128 0.500000 N\n0.237872 0.762128 0.000000 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Co",
"N"
],
"chemical_system": "Co-Li-N-Sr",
"density": 4.224021352409772,
"density_atomic": 0.056711355443683706,
"volume": 211.5978344392845,
"volume_molar": 10.618932862537891,
"formula_full": "Sr4 Li2 Co2 N4",
"formula_reduced": "Sr2LiCoN2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.31816667,
"spacegroup": 136
},
{
"id": "jvasp-86192",
"created_at": "2022-09-04T14:35:49.155422Z",
"updated_at": "2022-09-04T14:35:49.155449Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392747 0.000000 -0.582864\n0.000000 4.358677 -0.000000\n-0.021785 -0.000000 10.038910\nZr Ir\n4 4\ndirect\n0.695086 0.750000 0.390169 Zr\n0.438773 0.750000 0.877543 Zr\n0.304916 0.250000 0.609832 Zr\n0.561229 0.250000 0.122458 Zr\n0.056500 0.750000 0.113000 Ir\n0.831547 0.750000 0.663092 Ir\n0.943502 0.250000 0.887000 Ir\n0.168455 0.250000 0.336909 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.68647525971402,
"density_atomic": 0.05390874276386091,
"volume": 148.39893475243505,
"volume_molar": 11.170990921415244,
"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.4913528000000005,
"spacegroup": 63
},
{
"id": "jvasp-86190",
"created_at": "2022-09-04T14:35:44.495168Z",
"updated_at": "2022-09-04T14:35:44.495186Z",
"structure_string": "Na4 Be2 H8\n1.0\n4.981583 0.000000 0.000000\n0.000000 4.962561 -0.853228\n0.000000 -0.168087 6.689008\nNa Be H\n4 2 8\ndirect\n0.250000 0.722773 0.028847 Na\n0.750000 0.277226 0.971152 Na\n0.750000 0.248127 0.463103 Na\n0.250000 0.751873 0.536897 Na\n0.250000 0.280148 0.217964 Be\n0.750000 0.719851 0.782036 Be\n0.750000 0.930756 0.660899 H\n0.750000 0.825770 0.998677 H\n0.520243 0.545934 0.735795 H\n0.250000 0.069243 0.339100 H\n0.979757 0.545934 0.735795 H\n0.020243 0.454065 0.264205 H\n0.479757 0.454065 0.264205 H\n0.250000 0.174229 0.001323 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Be",
"H"
],
"chemical_system": "Be-H-Na",
"density": 1.1905547964187486,
"density_atomic": 0.08503026169731487,
"volume": 164.64726463898558,
"volume_molar": 7.082350024321013,
"formula_full": "Na4 Be2 H8",
"formula_reduced": "Na2BeH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6997020142857142,
"spacegroup": 11
},
{
"id": "jvasp-8619",
"created_at": "2022-09-04T14:36:34.318980Z",
"updated_at": "2022-09-04T14:36:34.319000Z",
"structure_string": "Sr1 Cr1 O3\n1.0\n3.836518 -0.000000 -0.000000\n0.000000 3.836518 -0.000000\n0.000000 0.000000 3.836518\nSr Cr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sr",
"density": 5.517004197084772,
"density_atomic": 0.08854382597658292,
"volume": 56.46921109239558,
"volume_molar": 6.801310756091191,
"formula_full": "Sr1 Cr1 O3",
"formula_reduced": "SrCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.912760842,
"spacegroup": 221
},
{
"id": "jvasp-86189",
"created_at": "2022-09-04T14:35:42.247945Z",
"updated_at": "2022-09-04T14:35:42.247977Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n6.870921 0.000000 -0.000000\n-3.435461 5.950392 -0.000000\n-0.000000 0.000000 8.489219\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.508280 0.016559 0.500000 Ag\n0.508280 0.491720 0.500000 Ag\n0.983441 0.491720 0.500000 Ag\n0.986540 0.344130 0.291944 C\n0.357589 0.344130 0.708056 C\n0.986540 0.642410 0.708056 C\n0.655870 0.642410 0.291944 C\n0.655870 0.013460 0.708056 C\n0.357589 0.013460 0.291944 C\n0.990531 0.262515 0.172125 N\n0.737485 0.728016 0.172125 N\n0.737485 0.009469 0.827875 N\n0.271984 0.262515 0.827875 N\n0.271984 0.009469 0.172125 N\n0.990531 0.728016 0.827875 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 3.2418014013845067,
"density_atomic": 0.04898021100017427,
"volume": 347.07894582037454,
"volume_molar": 12.295048626839467,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 4.690197119411764,
"spacegroup": 149
}
]
}