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=nsites&page=4480",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4478",
"results": [
{
"id": "jvasp-62469",
"created_at": "2022-09-04T14:36:14.047784Z",
"updated_at": "2022-09-04T14:36:14.047812Z",
"structure_string": "Ti6 Al16 Rh7\n1.0\n-0.000000 6.069041 6.069041\n6.069041 -0.000000 6.069041\n6.069041 6.069041 0.000000\nTi Al Rh\n6 16 7\ndirect\n0.675729 0.324271 0.675729 Ti\n0.675729 0.324271 0.324271 Ti\n0.324271 0.675729 0.675729 Ti\n0.324271 0.324271 0.675729 Ti\n0.675729 0.675729 0.324271 Ti\n0.324271 0.675729 0.324271 Ti\n0.026319 0.657894 0.657894 Al\n0.657894 0.026319 0.657894 Al\n0.657894 0.657894 0.657894 Al\n0.973681 0.342106 0.342106 Al\n0.119967 0.640099 0.119967 Al\n0.342106 0.342106 0.342106 Al\n0.119967 0.119967 0.119967 Al\n0.119967 0.119967 0.640099 Al\n0.640099 0.119967 0.119967 Al\n0.880033 0.880033 0.880033 Al\n0.342106 0.342106 0.973681 Al\n0.657894 0.657894 0.026319 Al\n0.880033 0.359901 0.880033 Al\n0.880033 0.880033 0.359901 Al\n0.359901 0.880033 0.880033 Al\n0.342106 0.973681 0.342106 Al\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Rh"
],
"chemical_system": "Al-Rh-Ti",
"density": 5.34556546321804,
"density_atomic": 0.0648646065276834,
"volume": 447.0851139384182,
"volume_molar": 9.284170647716525,
"formula_full": "Ti6 Al16 Rh7",
"formula_reduced": "Ti6Al16Rh7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.0876033034482764,
"spacegroup": 225
},
{
"id": "jvasp-97351",
"created_at": "2022-09-04T14:36:09.675821Z",
"updated_at": "2022-09-04T14:36:09.675855Z",
"structure_string": "Ni23 B6\n1.0\n6.373226 0.000000 3.679584\n2.124409 6.008735 3.679584\n-0.000000 -0.000000 7.359167\nNi B\n23 6\ndirect\n0.661531 -0.000000 -0.000001 Ni\n0.750001 0.749999 0.749999 Ni\n0.338470 -0.000000 -0.000000 Ni\n0.000000 0.000000 0.338470 Ni\n0.338470 0.661530 -0.000000 Ni\n0.618704 0.618702 0.618702 Ni\n0.381298 0.381297 0.856108 Ni\n0.381298 0.856108 0.381297 Ni\n0.856109 0.381297 0.381297 Ni\n0.618703 0.143892 0.618702 Ni\n0.143892 0.618702 0.618703 Ni\n0.618704 0.618702 0.143891 Ni\n0.381298 0.381297 0.381297 Ni\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Ni\n0.661531 0.000000 0.338469 Ni\n0.000000 0.661530 -0.000000 Ni\n0.661531 0.338469 -0.000001 Ni\n0.338470 0.000000 0.661530 Ni\n0.000000 0.338469 -0.000000 Ni\n0.000000 0.661530 0.338469 Ni\n0.000000 0.338469 0.661531 Ni\n0.000000 0.000000 0.661531 Ni\n0.725951 0.274049 0.274049 B\n0.725951 0.725950 0.274049 B\n0.274050 0.274049 0.725951 B\n0.725951 0.274049 0.725950 B\n0.274050 0.725950 0.274049 B\n0.274050 0.725950 0.725950 B\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Ni",
"B"
],
"chemical_system": "B-Ni",
"density": 8.336379537815546,
"density_atomic": 0.10290274720616191,
"volume": 281.81949255348405,
"volume_molar": 5.852264320927078,
"formula_full": "Ni23 B6",
"formula_reduced": "Ni23B6",
"formula_anonymous": "A6B23",
"energy_above_hull": 2.240855541379311,
"spacegroup": 225
},
{
"id": "jvasp-96664",
"created_at": "2022-09-04T14:36:17.214914Z",
"updated_at": "2022-09-04T14:36:17.214940Z",
"structure_string": "Nb6 Fe16 Si7\n1.0\n6.885525 -0.000000 3.975359\n2.295175 6.491735 3.975359\n-0.000000 0.000000 7.950719\nNb Fe Si\n6 16 7\ndirect\n0.795565 0.795565 0.204435 Nb\n0.204435 0.795565 0.795566 Nb\n0.204435 0.795565 0.204435 Nb\n0.795566 0.204435 0.795565 Nb\n0.204435 0.204435 0.795565 Nb\n0.795566 0.204435 0.204435 Nb\n0.173525 0.173525 0.479424 Fe\n0.826475 0.826474 0.826476 Fe\n0.826475 0.826474 0.520576 Fe\n0.380009 0.380008 0.380009 Fe\n0.619992 0.619991 0.140027 Fe\n0.140026 0.619991 0.619992 Fe\n0.619992 0.140026 0.619991 Fe\n0.859974 0.380008 0.380009 Fe\n0.380008 0.859973 0.380009 Fe\n0.173525 0.479424 0.173525 Fe\n0.479424 0.173525 0.173525 Fe\n0.619992 0.619991 0.619992 Fe\n0.520576 0.826474 0.826476 Fe\n0.380009 0.380008 0.859974 Fe\n0.173525 0.173525 0.173525 Fe\n0.826475 0.520575 0.826475 Fe\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"Si"
],
"chemical_system": "Fe-Nb-Si",
"density": 7.698130002263681,
"density_atomic": 0.0816006749020523,
"volume": 355.38921748882046,
"volume_molar": 7.380013421737692,
"formula_full": "Nb6 Fe16 Si7",
"formula_reduced": "Nb6Fe16Si7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 4.853123951724138,
"spacegroup": 225
},
{
"id": "jvasp-61792",
"created_at": "2022-09-04T14:36:09.390498Z",
"updated_at": "2022-09-04T14:36:09.390521Z",
"structure_string": "Sc6 Al16 Os7\n1.0\n-0.000000 6.207351 6.207351\n6.207351 0.000000 6.207351\n6.207351 6.207351 0.000000\nSc Al Os\n6 16 7\ndirect\n0.713935 0.286065 0.713935 Sc\n0.713935 0.286065 0.286065 Sc\n0.286065 0.713935 0.713935 Sc\n0.286065 0.286065 0.713935 Sc\n0.713935 0.713935 0.286065 Sc\n0.286065 0.713935 0.286065 Sc\n0.014751 0.661750 0.661750 Al\n0.661750 0.014751 0.661750 Al\n0.661750 0.661750 0.661750 Al\n0.985249 0.338250 0.338250 Al\n0.120760 0.637720 0.120760 Al\n0.338250 0.338250 0.338250 Al\n0.120760 0.120760 0.120760 Al\n0.120760 0.120760 0.637720 Al\n0.637720 0.120760 0.120760 Al\n0.879240 0.879240 0.879240 Al\n0.338250 0.338250 0.985249 Al\n0.661750 0.661750 0.014751 Al\n0.879240 0.362280 0.879240 Al\n0.879240 0.879240 0.362280 Al\n0.362280 0.879240 0.879240 Al\n0.338250 0.985249 0.338250 Al\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Os"
],
"chemical_system": "Al-Os-Sc",
"density": 7.057457470117262,
"density_atomic": 0.0606246286415139,
"volume": 478.35344561833216,
"volume_molar": 9.933488905326215,
"formula_full": "Sc6 Al16 Os7",
"formula_reduced": "Sc6Al16Os7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.719926941379311,
"spacegroup": 225
},
{
"id": "jvasp-21107",
"created_at": "2022-09-04T14:37:17.757133Z",
"updated_at": "2022-09-04T14:37:17.757152Z",
"structure_string": "Mn3 P6 Pd20\n1.0\n7.403708 -0.000000 4.274533\n2.467903 6.980283 4.274533\n0.000000 0.000000 8.549065\nMn P Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.266124 0.266123 0.733877 P\n0.266123 0.733876 0.733877 P\n0.266123 0.733876 0.266124 P\n0.733877 0.733876 0.266123 P\n0.733877 0.266123 0.266123 P\n0.733877 0.266123 0.733877 P\n-0.000000 0.657988 0.000000 Pd\n0.619512 0.619512 0.141464 Pd\n0.141464 0.619512 0.619512 Pd\n0.619512 0.141464 0.619512 Pd\n0.858536 0.380488 0.380488 Pd\n0.657989 0.000000 -0.000000 Pd\n0.000000 0.000000 0.657989 Pd\n0.657989 0.000000 0.342011 Pd\n0.657989 0.342011 -0.000000 Pd\n0.380488 0.380488 0.858536 Pd\n-0.000000 0.342011 0.000000 Pd\n-0.000000 0.657988 0.342012 Pd\n0.380488 0.380488 0.380488 Pd\n0.342011 0.657988 -0.000000 Pd\n0.000000 0.000000 0.342012 Pd\n0.342011 0.000000 -0.000000 Pd\n0.619512 0.619512 0.619512 Pd\n0.380488 0.858536 0.380488 Pd\n0.342011 0.000000 0.657989 Pd\n-0.000000 0.342011 0.657989 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mn",
"P",
"Pd"
],
"chemical_system": "Mn-P-Pd",
"density": 9.317397568804564,
"density_atomic": 0.06563826097959413,
"volume": 441.8154833354837,
"volume_molar": 9.17474148480592,
"formula_full": "Mn3 P6 Pd20",
"formula_reduced": "Mn3(P3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 2.818035128418549,
"spacegroup": 225
},
{
"id": "jvasp-53248",
"created_at": "2022-09-04T14:37:11.372621Z",
"updated_at": "2022-09-04T14:37:11.372640Z",
"structure_string": "Co21 B6 W2\n1.0\n6.397697 0.000000 3.693711\n2.132565 6.031807 3.693711\n0.000000 0.000000 7.387424\nCo B W\n21 6 2\ndirect\n0.000000 0.338383 0.661617 Co\n0.618358 0.618358 0.144925 Co\n0.855074 0.381643 0.381642 Co\n0.381643 0.381643 0.381642 Co\n0.381643 0.855074 0.381641 Co\n0.661617 -0.000000 -0.000000 Co\n0.000000 0.661617 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.618358 0.144926 0.618357 Co\n0.661617 -0.000000 0.338382 Co\n-0.000000 -0.000000 0.338383 Co\n0.000000 0.338383 -0.000000 Co\n0.338383 0.661617 -0.000001 Co\n0.000000 0.661617 0.338382 Co\n0.661618 0.338383 -0.000001 Co\n0.338383 -0.000000 0.661617 Co\n0.338383 -0.000000 -0.000000 Co\n0.618358 0.618358 0.618357 Co\n-0.000000 -0.000000 0.661617 Co\n0.144927 0.618358 0.618357 Co\n0.381643 0.381643 0.855073 Co\n0.724881 0.275120 0.275119 B\n0.724881 0.724881 0.275119 B\n0.275120 0.724881 0.724879 B\n0.724881 0.275120 0.724879 B\n0.275120 0.275120 0.724879 B\n0.275120 0.724881 0.275119 B\n0.250000 0.250000 0.250000 W\n0.750001 0.750000 0.749999 W\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Co",
"B",
"W"
],
"chemical_system": "B-Co-W",
"density": 9.728337953211133,
"density_atomic": 0.10172644491427094,
"volume": 285.07828052419893,
"volume_molar": 5.919936320467215,
"formula_full": "Co21 B6 W2",
"formula_reduced": "Co21(B3W)2",
"formula_anonymous": "A2B6C21",
"energy_above_hull": 4.939761186206898,
"spacegroup": 225
},
{
"id": "jvasp-56516",
"created_at": "2022-09-04T14:37:09.583279Z",
"updated_at": "2022-09-04T14:37:09.583314Z",
"structure_string": "Mg6 Si7 Ni16\n1.0\n6.942896 -0.000000 4.008483\n2.314299 6.545827 4.008483\n-0.000000 -0.000000 8.016967\nMg Si Ni\n6 7 16\ndirect\n0.204861 0.795139 0.204861 Mg\n0.795139 0.204861 0.204861 Mg\n0.795139 0.795139 0.204860 Mg\n0.204861 0.795139 0.795138 Mg\n0.204861 0.204861 0.795139 Mg\n0.795139 0.204861 0.795138 Mg\n0.500000 0.500000 -0.000001 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 -0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.832796 0.832796 0.501613 Ni\n0.382085 0.853746 0.382085 Ni\n0.832796 0.501614 0.832795 Ni\n0.832796 0.832796 0.832795 Ni\n0.167205 0.167205 0.167204 Ni\n0.382085 0.382085 0.382085 Ni\n0.617915 0.617915 0.146254 Ni\n0.853746 0.382085 0.382085 Ni\n0.617915 0.146255 0.617914 Ni\n0.146255 0.617915 0.617914 Ni\n0.167205 0.498387 0.167204 Ni\n0.617915 0.617915 0.617914 Ni\n0.382085 0.382085 0.853745 Ni\n0.498387 0.167205 0.167204 Ni\n0.501614 0.832796 0.832795 Ni\n0.167205 0.167205 0.498386 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Ni"
],
"chemical_system": "Mg-Ni-Si",
"density": 5.840636655067886,
"density_atomic": 0.07959443769851436,
"volume": 364.3470679426797,
"volume_molar": 7.566032167738279,
"formula_full": "Mg6 Si7 Ni16",
"formula_reduced": "Mg6Si7Ni16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.4995399172413797,
"spacegroup": 225
},
{
"id": "jvasp-26047",
"created_at": "2022-09-04T14:37:07.389636Z",
"updated_at": "2022-09-04T14:37:07.389655Z",
"structure_string": "Co21 Re2 B6\n1.0\n6.392145 0.000000 3.690507\n2.130715 6.026573 3.690507\n0.000000 0.000000 7.381015\nCo Re B\n21 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.661551 -0.000000 0.000001 Co\n-0.000000 -0.000000 0.661552 Co\n0.661551 -0.000000 0.338449 Co\n-0.000000 0.661551 0.000001 Co\n0.661551 0.338449 0.000001 Co\n0.338448 -0.000000 0.661552 Co\n-0.000000 0.661551 0.338450 Co\n-0.000000 0.338449 0.661552 Co\n0.338448 0.661551 0.000001 Co\n-0.000000 0.338449 0.000000 Co\n0.338448 -0.000000 0.000000 Co\n0.381198 0.381198 0.381199 Co\n-0.000000 -0.000000 0.338449 Co\n0.143595 0.618801 0.618803 Co\n0.618801 0.143595 0.618803 Co\n0.618801 0.618801 0.143597 Co\n0.381198 0.856404 0.381200 Co\n0.381198 0.381198 0.856406 Co\n0.618801 0.618801 0.618803 Co\n0.856404 0.381198 0.381200 Co\n0.250000 0.250000 0.250001 Re\n0.749999 0.750000 0.750002 Re\n0.275837 0.724162 0.275839 B\n0.724162 0.275837 0.275838 B\n0.724162 0.724162 0.275839 B\n0.275837 0.275837 0.724163 B\n0.724162 0.275837 0.724164 B\n0.275837 0.724162 0.724164 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Co",
"Re",
"B"
],
"chemical_system": "B-Co-Re",
"density": 9.78135256958177,
"density_atomic": 0.10199170933849294,
"volume": 284.3368366712434,
"volume_molar": 5.904539495473648,
"formula_full": "Co21 Re2 B6",
"formula_reduced": "Co21(ReB3)2",
"formula_anonymous": "A2B6C21",
"energy_above_hull": 4.856849668965518,
"spacegroup": 225
},
{
"id": "jvasp-104117",
"created_at": "2022-09-04T14:36:46.189190Z",
"updated_at": "2022-09-04T14:36:46.189221Z",
"structure_string": "H10 C17 S2\n1.0\n3.852877 0.051580 -0.329769\n-1.921739 6.063495 -0.687398\n0.259238 0.170879 12.686105\nH C S\n10 17 2\ndirect\n0.208577 0.700448 0.954301 H\n0.010073 0.902175 0.469867 H\n0.450939 0.784901 0.121032 H\n0.436797 0.169260 0.574854 H\n0.465416 0.086943 0.902046 H\n0.391788 0.785405 0.779731 H\n0.658062 0.174281 0.728427 H\n0.267829 0.902950 0.305036 H\n0.825597 0.871711 0.651015 H\n0.642002 0.197566 0.398713 H\n0.186325 0.733554 0.267890 C\n0.168296 0.305547 0.040021 C\n0.888101 0.740267 0.492966 C\n0.416987 0.633230 0.806570 C\n0.278872 0.670121 0.166544 C\n0.778116 0.723020 0.595100 C\n0.315296 0.585289 0.907101 C\n0.850245 0.552056 0.419952 C\n0.318998 0.384144 0.942505 C\n0.140553 0.445436 0.133247 C\n0.982842 0.558604 0.315178 C\n0.622302 0.517224 0.628692 C\n0.681288 0.347394 0.452908 C\n0.545922 0.286809 0.775691 C\n0.568700 0.330816 0.553433 C\n0.443688 0.238329 0.874374 C\n0.527164 0.483508 0.737555 C\n0.004325 0.033945 0.041589 S\n0.904308 0.314160 0.231871 S\n",
"nsites": 29,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.5476435256184269,
"density_atomic": 0.09708769191534808,
"volume": 298.69903617943095,
"volume_molar": 6.202784968099538,
"formula_full": "H10 C17 S2",
"formula_reduced": "H10C17S2",
"formula_anonymous": "A2B10C17",
"energy_above_hull": 5.854763448275862,
"spacegroup": 1
},
{
"id": "jvasp-32132",
"created_at": "2022-09-04T14:38:07.667511Z",
"updated_at": "2022-09-04T14:38:07.667529Z",
"structure_string": "Sm1 Mg16 Al12\n1.0\n7.477205 -4.316966 3.052556\n-0.000000 8.633932 3.052556\n-7.477205 -4.316966 3.052556\nSm Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.396273 0.396272 0.715859 Mg\n0.284143 0.680415 0.680416 Mg\n0.641263 0.641263 0.641263 Mg\n0.000000 0.319586 0.603728 Mg\n0.319586 0.000000 0.603727 Mg\n0.715859 0.396272 0.396273 Mg\n0.396273 0.715858 0.396273 Mg\n0.680415 0.284142 0.680415 Mg\n0.000000 0.603728 0.319586 Mg\n0.603727 0.000000 0.319586 Mg\n0.680416 0.680415 0.284143 Mg\n0.603728 0.319586 0.000000 Mg\n0.319586 0.603728 0.000000 Mg\n0.000000 0.358737 0.000000 Mg\n0.358736 0.000000 0.000000 Mg\n0.000000 0.000000 0.358736 Mg\n0.000001 0.629907 0.812067 Al\n0.000001 0.812066 0.629908 Al\n0.812067 0.000000 0.629908 Al\n0.370096 0.182159 0.370096 Al\n0.182160 0.370094 0.370096 Al\n0.629908 0.812066 0.000001 Al\n0.817841 0.187934 0.187934 Al\n0.370096 0.370094 0.182160 Al\n0.812067 0.629907 0.000001 Al\n0.629908 0.000000 0.812067 Al\n0.187934 0.817840 0.187934 Al\n0.187934 0.187934 0.817841 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Sm",
"density": 2.4240210015853183,
"density_atomic": 0.04905295689760187,
"volume": 591.1977958951088,
"volume_molar": 12.276814978903777,
"formula_full": "Sm1 Mg16 Al12",
"formula_reduced": "Sm(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.3588671474137933,
"spacegroup": 217
},
{
"id": "jvasp-32126",
"created_at": "2022-09-04T14:38:06.066275Z",
"updated_at": "2022-09-04T14:38:06.066301Z",
"structure_string": "Yb1 Mg16 Al12\n1.0\n7.477749 -4.317280 3.052779\n-0.000000 8.634562 3.052779\n-7.477749 -4.317280 3.052779\nYb Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.396168 0.396168 0.714749 Mg\n0.285253 0.681419 0.681421 Mg\n0.645776 0.645776 0.645776 Mg\n0.000000 0.318580 0.603831 Mg\n0.318580 0.999999 0.603832 Mg\n0.396168 0.714749 0.396168 Mg\n0.714749 0.396168 0.396168 Mg\n0.681420 0.285253 0.681420 Mg\n0.603832 0.999999 0.318580 Mg\n0.999999 0.603831 0.318580 Mg\n0.681421 0.681419 0.285253 Mg\n0.000000 0.354223 0.000000 Mg\n0.354223 0.000000 0.000000 Mg\n0.603831 0.318580 0.000000 Mg\n0.318580 0.603831 0.999999 Mg\n0.000000 0.000000 0.354223 Mg\n0.630542 0.999999 0.812509 Al\n0.999999 0.812508 0.630542 Al\n0.812509 0.999999 0.630542 Al\n0.369459 0.181967 0.369459 Al\n0.181967 0.369459 0.369459 Al\n0.630542 0.812508 0.999999 Al\n0.187491 0.818031 0.187491 Al\n0.369459 0.369459 0.181967 Al\n0.812509 0.630541 0.999999 Al\n0.999999 0.630541 0.812509 Al\n0.818032 0.187490 0.187491 Al\n0.187491 0.187490 0.818032 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Yb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Yb",
"density": 2.487179939165012,
"density_atomic": 0.04904223064412402,
"volume": 591.3270995040807,
"volume_molar": 12.279500097986551,
"formula_full": "Yb1 Mg16 Al12",
"formula_reduced": "Yb(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.256721003448276,
"spacegroup": 217
},
{
"id": "jvasp-117343",
"created_at": "2022-09-04T14:38:26.945595Z",
"updated_at": "2022-09-04T14:38:26.945613Z",
"structure_string": "Zr6 Ga16 Pt7\n1.0\n7.684054 -0.000000 4.436391\n2.561351 7.244596 4.436391\n0.000000 -0.000000 8.872782\nZr Ga Pt\n6 16 7\ndirect\n0.701070 0.701071 0.298930 Zr\n0.298929 0.701071 0.298929 Zr\n0.701070 0.298930 0.298930 Zr\n0.298929 0.298930 0.701070 Zr\n0.701070 0.298930 0.701070 Zr\n0.298929 0.701071 0.701070 Zr\n0.347744 0.347745 0.347744 Ga\n0.956767 0.347745 0.347744 Ga\n0.347744 0.956768 0.347744 Ga\n0.347744 0.347745 0.956768 Ga\n0.652255 0.652256 0.652256 Ga\n0.043232 0.652256 0.652255 Ga\n0.652255 0.043232 0.652256 Ga\n0.652255 0.652256 0.043232 Ga\n0.631155 0.122949 0.122949 Ga\n0.122948 0.631156 0.122948 Ga\n0.122948 0.122949 0.631155 Ga\n0.877051 0.877052 0.877051 Ga\n0.368844 0.877052 0.877051 Ga\n0.877051 0.368845 0.877051 Ga\n0.877051 0.877052 0.368844 Ga\n0.122948 0.122949 0.122948 Ga\n-0.000000 0.500000 -0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Zr",
"density": 10.18151215927991,
"density_atomic": 0.05871291010159155,
"volume": 493.9288471619105,
"volume_molar": 10.256927734598452,
"formula_full": "Zr6 Ga16 Pt7",
"formula_reduced": "Zr6Ga16Pt7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.626539103448276,
"spacegroup": 225
}
]
}