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_reduced&page=4460",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4458",
"results": [
{
"id": "jvasp-94390",
"created_at": "2022-09-04T14:36:21.086933Z",
"updated_at": "2022-09-04T14:36:21.086953Z",
"structure_string": "Y2 Mg4\n1.0\n3.359978 0.000000 -0.000000\n-1.679988 2.909826 -0.000000\n-0.000000 0.000000 16.269155\nY Mg\n2 4\ndirect\n0.666667 0.333333 0.172580 Y\n0.666667 0.333333 0.827419 Y\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.343592 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.656407 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.8711997006705614,
"density_atomic": 0.03772096544540133,
"volume": 159.06273684019604,
"volume_molar": 15.9649698487083,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7081117738095237,
"spacegroup": 187
},
{
"id": "jvasp-94382",
"created_at": "2022-09-04T14:35:58.724023Z",
"updated_at": "2022-09-04T14:35:58.724038Z",
"structure_string": "Y2 Mg4\n1.0\n3.372264 0.000000 0.000000\n-1.686131 2.920466 -0.000000\n-0.000000 0.000000 16.211740\nY Mg\n2 4\ndirect\n0.666667 0.333333 0.750000 Y\n0.333333 0.666668 0.250000 Y\n0.333333 0.666668 0.921486 Mg\n0.333333 0.666668 0.578514 Mg\n0.666667 0.333333 0.421486 Mg\n0.666667 0.333333 0.078514 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.8604113973254015,
"density_atomic": 0.037579231933238366,
"volume": 159.66265650823678,
"volume_molar": 16.02518319346887,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.706395107142857,
"spacegroup": 194
},
{
"id": "jvasp-109318",
"created_at": "2022-09-04T14:38:09.515259Z",
"updated_at": "2022-09-04T14:38:09.515279Z",
"structure_string": "Y2 Mg4\n1.0\n5.191783 -0.000000 2.997477\n1.730594 4.894860 2.997477\n-0.000000 -0.000000 5.994954\nY Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.125000 0.625000 Mg\n0.624999 0.625000 0.625001 Mg\n0.124999 0.625000 0.625000 Mg\n0.624999 0.625000 0.125001 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.9977070462438453,
"density_atomic": 0.0393829812257195,
"volume": 152.35007135726008,
"volume_molar": 15.291226241824408,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6593317738095237,
"spacegroup": 227
},
{
"id": "jvasp-10783",
"created_at": "2022-09-04T14:38:09.124385Z",
"updated_at": "2022-09-04T14:38:09.124402Z",
"structure_string": "Y4 Mg8\n1.0\n3.018114 -5.227526 -0.000000\n3.018114 5.227526 0.000000\n0.000000 -0.000000 9.786138\nY Mg\n4 8\ndirect\n0.333332 0.666666 0.065300 Y\n0.666666 0.333332 0.565300 Y\n0.666666 0.333332 0.934700 Y\n0.333332 0.666666 0.434700 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.342250 0.171125 0.250000 Mg\n0.171125 0.342250 0.750000 Mg\n0.171124 0.828874 0.750000 Mg\n0.828874 0.171124 0.250000 Mg\n0.828874 0.657749 0.250000 Mg\n0.657749 0.828874 0.750000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.957935322519523,
"density_atomic": 0.0388604721797765,
"volume": 308.7970713398835,
"volume_molar": 15.496828582371165,
"formula_full": "Y4 Mg8",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6676784404761904,
"spacegroup": 194
},
{
"id": "jvasp-97680",
"created_at": "2022-09-04T14:35:55.198638Z",
"updated_at": "2022-09-04T14:35:55.198664Z",
"structure_string": "Y2 Mg4 Cu18\n1.0\n4.985271 -0.000000 -0.000000\n-2.492635 4.317371 0.000000\n0.000000 -0.000000 16.123095\nY Mg Cu\n2 4 18\ndirect\n0.333333 0.666666 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.333333 0.666666 0.533505 Mg\n0.666666 0.333333 0.466495 Mg\n0.333333 0.666666 0.966495 Mg\n0.666666 0.333333 0.033505 Mg\n0.333333 0.666666 0.250000 Cu\n0.663522 0.831761 0.377277 Cu\n0.336477 0.168239 0.877277 Cu\n0.831761 0.663523 0.622724 Cu\n0.831761 0.168239 0.877277 Cu\n0.831761 0.663523 0.877277 Cu\n0.168238 0.831761 0.122724 Cu\n0.663522 0.831761 0.122724 Cu\n0.831761 0.168239 0.622724 Cu\n0.168238 0.336477 0.122724 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.750000 Cu\n0.168238 0.336477 0.377277 Cu\n0.168238 0.831761 0.377277 Cu\n0.666666 0.333333 0.750000 Cu\n0.336477 0.168239 0.622724 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 6.789409386944605,
"density_atomic": 0.06915995263448582,
"volume": 347.02163731721055,
"volume_molar": 8.707554777874627,
"formula_full": "Y2 Mg4 Cu18",
"formula_reduced": "YMg2Cu9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-37443",
"created_at": "2022-09-04T14:37:56.577314Z",
"updated_at": "2022-09-04T14:37:56.577345Z",
"structure_string": "Y1 Mg2 Sc1\n1.0\n0.000000 3.681499 3.681499\n3.681499 0.000000 3.681499\n3.681499 3.681499 0.000000\nY Mg Sc\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Y\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc-Y",
"density": 3.0362722265328776,
"density_atomic": 0.040082604650199964,
"volume": 99.7939139661186,
"volume_molar": 15.024324922382402,
"formula_full": "Y1 Mg2 Sc1",
"formula_reduced": "YMg2Sc",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9365646999999998,
"spacegroup": 225
},
{
"id": "jvasp-117243",
"created_at": "2022-09-04T14:38:46.600368Z",
"updated_at": "2022-09-04T14:38:46.600383Z",
"structure_string": "Y1 Mg2 Ti3 S8\n1.0\n6.414920 0.007354 3.989784\n2.222053 6.017513 3.990103\n0.011589 0.007974 7.554144\nY Mg Ti S\n1 2 3 8\ndirect\n0.499999 0.500001 0.499991 Y\n0.871748 0.871731 0.871745 Mg\n0.128257 0.128263 0.128263 Mg\n0.500008 0.500002 0.999986 Ti\n0.999990 0.500000 0.500010 Ti\n0.500002 0.999992 0.500006 Ti\n0.740748 0.740746 0.740757 S\n0.245936 0.245918 0.728359 S\n0.245921 0.728355 0.245913 S\n0.728355 0.245922 0.245931 S\n0.754075 0.271639 0.754080 S\n0.271648 0.754074 0.754063 S\n0.259255 0.259255 0.259249 S\n0.754064 0.754082 0.271644 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti-Y",
"density": 3.067197426436001,
"density_atomic": 0.048098512045680615,
"volume": 291.06929517286886,
"volume_molar": 12.520430474607178,
"formula_full": "Y1 Mg2 Ti3 S8",
"formula_reduced": "YMg2Ti3S8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.3427077535714287,
"spacegroup": 166
},
{
"id": "jvasp-33856",
"created_at": "2022-09-04T14:38:01.690022Z",
"updated_at": "2022-09-04T14:38:01.690037Z",
"structure_string": "Y2 Mg6\n1.0\n6.670291 0.000000 0.000000\n-3.335146 5.776641 -0.000000\n0.000000 -0.000000 5.164569\nY Mg\n2 6\ndirect\n0.666668 0.333334 0.250000 Y\n0.333333 0.666667 0.750000 Y\n0.163411 0.326823 0.250000 Mg\n0.163411 0.836588 0.250000 Mg\n0.673175 0.836588 0.250000 Mg\n0.326823 0.163413 0.750000 Mg\n0.836589 0.163413 0.750000 Mg\n0.836588 0.673177 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.7005941824626785,
"density_atomic": 0.040200896999484655,
"volume": 199.00053474186294,
"volume_molar": 14.980115394134613,
"formula_full": "Y2 Mg6",
"formula_reduced": "YMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4480425642857143,
"spacegroup": 194
},
{
"id": "jvasp-80494",
"created_at": "2022-09-04T14:37:19.732985Z",
"updated_at": "2022-09-04T14:37:19.732996Z",
"structure_string": "Y1 Mg3\n1.0\n3.313688 0.000000 0.000000\n-1.656843 2.869737 0.000000\n0.000000 -0.000000 10.747440\nY Mg\n1 3\ndirect\n0.666668 0.333333 0.500000 Y\n0.666668 0.333333 0.000000 Mg\n0.333334 0.666668 0.238371 Mg\n0.333334 0.666668 0.761629 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.629207327932926,
"density_atomic": 0.03913823619516833,
"volume": 102.20184629816826,
"volume_molar": 15.386847608486356,
"formula_full": "Y1 Mg3",
"formula_reduced": "YMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4758675642857143,
"spacegroup": 187
},
{
"id": "jvasp-41517",
"created_at": "2022-09-04T14:37:37.601565Z",
"updated_at": "2022-09-04T14:37:37.601584Z",
"structure_string": "Y1 Mg3\n1.0\n-0.000000 3.646151 3.646151\n3.646151 0.000000 3.646151\n3.646151 3.646151 0.000000\nY Mg\n1 3\ndirect\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.771721743560903,
"density_atomic": 0.04125969797598931,
"volume": 96.94690451509757,
"volume_molar": 14.595697630904928,
"formula_full": "Y1 Mg3",
"formula_reduced": "YMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4482025642857143,
"spacegroup": 225
},
{
"id": "jvasp-79235",
"created_at": "2022-09-04T14:37:11.270154Z",
"updated_at": "2022-09-04T14:37:11.270179Z",
"structure_string": "Y1 Mg3\n1.0\n6.349909 -1.559991 0.000000\n-2.262973 3.919585 0.000000\n0.000000 0.000000 4.717656\nY Mg\n1 3\ndirect\n0.250008 0.750008 0.250000 Y\n0.750019 0.750020 0.250000 Mg\n0.250014 0.250015 0.750001 Mg\n0.749961 0.249961 0.750001 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.666739835900025,
"density_atomic": 0.03969694305187265,
"volume": 100.76342641228405,
"volume_molar": 15.17028843286691,
"formula_full": "Y1 Mg3",
"formula_reduced": "YMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4524075642857142,
"spacegroup": 123
},
{
"id": "jvasp-39572",
"created_at": "2022-09-04T14:37:52.852363Z",
"updated_at": "2022-09-04T14:37:52.852389Z",
"structure_string": "Y1 Mg16 Al12\n1.0\n7.466256 -4.310645 3.048085\n0.000000 8.621288 3.048085\n-7.466256 -4.310645 3.048085\nY Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.395894 0.395896 0.715284 Mg\n0.680611 0.284719 0.680611 Mg\n0.643261 0.643261 0.643261 Mg\n0.319390 0.000001 0.604108 Mg\n0.000000 0.319391 0.604109 Mg\n0.395895 0.715285 0.395895 Mg\n0.715284 0.395896 0.395894 Mg\n0.284718 0.680612 0.680611 Mg\n0.000000 0.604108 0.319391 Mg\n0.604108 0.000001 0.319390 Mg\n0.680611 0.680612 0.284718 Mg\n0.319391 0.604108 0.000000 Mg\n0.356740 0.000000 0.000000 Mg\n0.000000 0.356740 0.000000 Mg\n0.604109 0.319391 0.000000 Mg\n0.000000 0.000000 0.356740 Mg\n0.000000 0.631210 0.812575 Al\n0.000000 0.812575 0.631209 Al\n0.812575 0.000001 0.631209 Al\n0.181365 0.368793 0.368793 Al\n0.368793 0.181366 0.368793 Al\n0.631209 0.812575 0.000000 Al\n0.818635 0.187428 0.187426 Al\n0.368793 0.368793 0.181365 Al\n0.812575 0.631210 0.000000 Al\n0.631209 0.000001 0.812575 Al\n0.187426 0.818635 0.187426 Al\n0.187426 0.187428 0.818635 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Y",
"density": 2.2613307009317385,
"density_atomic": 0.04926909736681731,
"volume": 588.6042478937613,
"volume_molar": 12.22295735431091,
"formula_full": "Y1 Mg16 Al12",
"formula_reduced": "Y(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.4200753051724138,
"spacegroup": 217
}
]
}