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=-formula_anonymous&page=198",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=196",
"results": [
{
"id": "jvasp-107298",
"created_at": "2022-09-04T14:36:54.381148Z",
"updated_at": "2022-09-04T14:36:54.381166Z",
"structure_string": "Ni6 Sn1 Sb1\n1.0\n4.272400 0.000000 0.000000\n0.000000 4.530492 0.000000\n0.000000 0.000000 5.326409\nNi Sn Sb\n6 1 1\ndirect\n0.500000 0.171125 0.747452 Ni\n0.500000 0.171125 0.252548 Ni\n-0.000000 0.828383 0.748864 Ni\n-0.000000 0.828383 0.251136 Ni\n-0.000000 0.309129 0.500000 Ni\n0.500000 0.692801 -0.000000 Ni\n-0.000000 0.324829 -0.000000 Sn\n0.500000 0.674221 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"Sb"
],
"chemical_system": "Ni-Sb-Sn",
"density": 9.54511658273566,
"density_atomic": 0.07759579751792536,
"volume": 103.09836686905531,
"volume_molar": 7.760910967644645,
"formula_full": "Ni6 Sn1 Sb1",
"formula_reduced": "Ni6SnSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.1827540250000002,
"spacegroup": 25
},
{
"id": "jvasp-2715",
"created_at": "2022-09-04T14:36:56.237397Z",
"updated_at": "2022-09-04T14:36:56.237420Z",
"structure_string": "K1 Ru1 F6\n1.0\n4.935256 -0.028924 -0.674817\n-0.769481 4.874986 -0.674817\n-0.024863 -0.028924 4.981116\nK Ru F\n1 1 6\ndirect\n0.500001 0.500001 0.500000 K\n0.000000 0.000000 0.000000 Ru\n0.269693 0.269693 0.919572 F\n0.269693 0.919573 0.269692 F\n0.730309 0.080430 0.730308 F\n0.730309 0.730309 0.080428 F\n0.080429 0.730309 0.730308 F\n0.919573 0.269693 0.269692 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Ru",
"F"
],
"chemical_system": "F-K-Ru",
"density": 3.530605780486232,
"density_atomic": 0.06692449522071837,
"volume": 119.53769652824178,
"volume_molar": 8.998410432740442,
"formula_full": "K1 Ru1 F6",
"formula_reduced": "KRuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.17360476625,
"spacegroup": 166
},
{
"id": "jvasp-17900",
"created_at": "2022-09-04T14:36:51.915692Z",
"updated_at": "2022-09-04T14:36:51.915734Z",
"structure_string": "Mg1 Fe1 F6\n1.0\n4.379323 0.060615 2.871911\n1.582029 4.084033 2.871911\n0.087184 0.060614 5.236291\nMg Fe F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Mg\n0.000000 0.000000 0.000000 Fe\n0.368409 0.103286 0.766349 F\n0.103287 0.766347 0.368410 F\n0.233651 0.631589 0.896714 F\n0.896713 0.233650 0.631592 F\n0.631591 0.896711 0.233652 F\n0.766348 0.368408 0.103287 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"F"
],
"chemical_system": "F-Fe-Mg",
"density": 3.517251656133206,
"density_atomic": 0.08728273960128388,
"volume": 91.65615145153309,
"volume_molar": 6.899578069512633,
"formula_full": "Mg1 Fe1 F6",
"formula_reduced": "MgFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0061687853124999,
"spacegroup": 148
},
{
"id": "jvasp-104923",
"created_at": "2022-09-04T14:36:54.906878Z",
"updated_at": "2022-09-04T14:36:54.906887Z",
"structure_string": "Ta1 Nb1 Al6\n1.0\n3.853200 -0.000000 0.000000\n0.000000 3.853200 0.000000\n0.000000 0.000000 8.613687\nTa Nb Al\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.250898 Al\n0.500000 0.000000 0.749103 Al\n0.500000 0.000000 0.250898 Al\n-0.000000 0.500000 0.749103 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Al"
],
"chemical_system": "Al-Nb-Ta",
"density": 5.657802937059015,
"density_atomic": 0.06255439054931443,
"volume": 127.8887050093349,
"volume_molar": 9.627047289754149,
"formula_full": "Ta1 Nb1 Al6",
"formula_reduced": "TaNbAl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.205289425,
"spacegroup": 123
},
{
"id": "jvasp-12880",
"created_at": "2022-09-04T14:36:54.994997Z",
"updated_at": "2022-09-04T14:36:54.995015Z",
"structure_string": "Na2 Sb2 Cl12\n1.0\n6.280683 -0.000000 0.000000\n0.000000 6.280683 0.000000\n0.000000 0.000000 10.763956\nNa Sb Cl\n2 2 12\ndirect\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.500000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.778357 0.183827 0.000000 Cl\n0.816173 0.778357 0.500000 Cl\n0.183827 0.221642 0.500000 Cl\n0.221642 0.816173 0.000000 Cl\n0.227643 0.346917 0.158332 Cl\n0.653082 0.227643 0.658332 Cl\n0.346917 0.772356 0.658332 Cl\n0.772356 0.653082 0.158332 Cl\n0.772356 0.653082 0.841668 Cl\n0.346917 0.772356 0.341668 Cl\n0.653082 0.227643 0.341668 Cl\n0.227643 0.346917 0.841668 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Na-Sb",
"density": 2.7959559263086375,
"density_atomic": 0.03768203256303495,
"volume": 424.6055457129339,
"volume_molar": 15.98146477349939,
"formula_full": "Na2 Sb2 Cl12",
"formula_reduced": "NaSbCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1459346254166666,
"spacegroup": 84
},
{
"id": "jvasp-22608",
"created_at": "2022-09-04T14:36:57.278609Z",
"updated_at": "2022-09-04T14:36:57.278627Z",
"structure_string": "Ni1 Pt1 F6\n1.0\n4.406557 0.040395 3.126828\n1.637015 4.091400 3.126828\n0.059085 0.040395 5.402897\nNi Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500001 0.499999 0.500001 Pt\n0.908110 0.246990 0.597484 F\n0.246993 0.597482 0.908109 F\n0.402518 0.091891 0.753008 F\n0.753008 0.402516 0.091893 F\n0.091892 0.753007 0.402518 F\n0.597483 0.908107 0.246993 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Pt",
"F"
],
"chemical_system": "F-Ni-Pt",
"density": 6.364483072959749,
"density_atomic": 0.0833739352760558,
"volume": 95.95324933999515,
"volume_molar": 7.223049673810349,
"formula_full": "Ni1 Pt1 F6",
"formula_reduced": "NiPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2183806868749999,
"spacegroup": 148
},
{
"id": "jvasp-102779",
"created_at": "2022-09-04T14:36:52.672253Z",
"updated_at": "2022-09-04T14:36:52.672276Z",
"structure_string": "Ce1 Sc1 Pd6\n1.0\n4.084307 -0.000000 0.000000\n0.000000 4.084307 0.000000\n0.000000 -0.000000 8.113838\nCe Sc Pd\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Sc\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.258345 Pd\n0.500000 0.000000 0.741655 Pd\n-0.000000 0.500000 0.258345 Pd\n-0.000000 0.500000 0.741655 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Sc",
"Pd"
],
"chemical_system": "Ce-Pd-Sc",
"density": 10.10411035118798,
"density_atomic": 0.059105364124027435,
"volume": 135.35150520708578,
"volume_molar": 10.188822705436793,
"formula_full": "Ce1 Sc1 Pd6",
"formula_reduced": "CeScPd6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.0398906187500003,
"spacegroup": 123
},
{
"id": "jvasp-106794",
"created_at": "2022-09-04T14:36:55.262111Z",
"updated_at": "2022-09-04T14:36:55.262135Z",
"structure_string": "K1 Nb1 Cl6\n1.0\n5.951926 -0.067065 3.553087\n1.984566 5.611722 3.553087\n-0.095996 -0.067065 6.931136\nK Nb Cl\n1 1 6\ndirect\n0.743192 0.743190 0.743193 K\n0.992982 0.992979 0.992982 Nb\n0.236498 0.749648 0.749650 Cl\n0.749650 0.749648 0.236499 Cl\n0.749649 0.236497 0.749650 Cl\n0.749554 0.236351 0.236353 Cl\n0.236352 0.236351 0.749555 Cl\n0.236353 0.749553 0.236353 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb",
"density": 2.4326586724889507,
"density_atomic": 0.03399790916414519,
"volume": 235.30858798919743,
"volume_molar": 17.713267986347404,
"formula_full": "K1 Nb1 Cl6",
"formula_reduced": "KNbCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.564607725625,
"spacegroup": 216
},
{
"id": "jvasp-104709",
"created_at": "2022-09-04T14:36:56.082013Z",
"updated_at": "2022-09-04T14:36:56.082022Z",
"structure_string": "Nb6 Si1 Ge1\n1.0\n5.159304 0.000000 0.000000\n0.000000 5.159304 0.000000\n0.000000 0.000000 5.159304\nNb Si Ge\n6 1 1\ndirect\n-0.000000 0.500000 0.747086 Nb\n0.500000 0.252913 -0.000000 Nb\n0.747086 0.000000 0.500000 Nb\n-0.000000 0.500000 0.252913 Nb\n0.500000 0.747086 -0.000000 Nb\n0.252913 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Ge"
],
"chemical_system": "Ge-Nb-Si",
"density": 7.958106022489094,
"density_atomic": 0.05825277673833081,
"volume": 137.3325092456225,
"volume_molar": 10.337946270014253,
"formula_full": "Nb6 Si1 Ge1",
"formula_reduced": "Nb6SiGe",
"formula_anonymous": "ABC6",
"energy_above_hull": 5.33769886875,
"spacegroup": 200
},
{
"id": "jvasp-104731",
"created_at": "2022-09-04T14:36:49.515185Z",
"updated_at": "2022-09-04T14:36:49.515208Z",
"structure_string": "La1 Ce1 Sn6\n1.0\n4.776115 0.000000 0.000000\n0.000000 4.776115 0.000000\n-0.000000 0.000000 9.560815\nLa Ce Sn\n1 1 6\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.245629 Sn\n0.500000 0.000000 0.754371 Sn\n-0.000000 0.500000 0.245629 Sn\n-0.000000 0.500000 0.754371 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Ce",
"Sn"
],
"chemical_system": "Ce-La-Sn",
"density": 7.547473905898651,
"density_atomic": 0.03668136781328588,
"volume": 218.09437534394297,
"volume_molar": 16.417437841068725,
"formula_full": "La1 Ce1 Sn6",
"formula_reduced": "LaCeSn6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8828500875000002,
"spacegroup": 123
},
{
"id": "jvasp-105352",
"created_at": "2022-09-04T14:36:48.223435Z",
"updated_at": "2022-09-04T14:36:48.223455Z",
"structure_string": "V6 Ga1 Sn1\n1.0\n4.867660 -0.000000 0.000000\n0.000000 4.867660 0.000000\n0.000000 -0.000000 4.867660\nV Ga Sn\n6 1 1\ndirect\n-0.000000 0.500000 0.736910 V\n0.500000 0.263090 -0.000000 V\n0.736910 0.000000 0.500000 V\n-0.000000 0.500000 0.263090 V\n0.500000 0.736910 -0.000000 V\n0.263090 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Ga",
"Sn"
],
"chemical_system": "Ga-Sn-V",
"density": 7.1135669408489655,
"density_atomic": 0.06936322543752538,
"volume": 115.3348903477031,
"volume_molar": 8.682036802662918,
"formula_full": "V6 Ga1 Sn1",
"formula_reduced": "V6GaSn",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.792206153125,
"spacegroup": 200
},
{
"id": "jvasp-12957",
"created_at": "2022-09-04T14:36:45.947120Z",
"updated_at": "2022-09-04T14:36:45.947144Z",
"structure_string": "Th2 Sn2 I12\n1.0\n3.802895 -6.586806 -0.000000\n3.802895 6.586806 -0.000000\n-0.000000 0.000000 14.039815\nTh Sn I\n2 2 12\ndirect\n0.666666 0.333332 0.750000 Th\n0.333332 0.666666 0.250000 Th\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.646709 -0.010123 0.626000 I\n0.010122 0.656831 0.626000 I\n0.353291 0.343168 0.126001 I\n0.656831 0.010122 0.126001 I\n-0.010123 0.646709 0.126001 I\n0.656831 0.646708 0.373999 I\n-0.010123 0.343168 0.373999 I\n0.353291 0.010122 0.373999 I\n0.646708 0.656831 0.873999 I\n0.343168 -0.010123 0.873999 I\n0.010122 0.353291 0.873999 I\n0.343168 0.353291 0.626000 I\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Th",
"Sn",
"I"
],
"chemical_system": "I-Sn-Th",
"density": 5.251357524482893,
"density_atomic": 0.022747799665786265,
"volume": 703.3647313179364,
"volume_molar": 26.47350886010121,
"formula_full": "Th2 Sn2 I12",
"formula_reduced": "ThSnI6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.15292561875,
"spacegroup": 163
}
]
}