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=spacegroup&page=508",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=506",
"results": [
{
"id": "jvasp-110175",
"created_at": "2022-09-04T14:38:18.251351Z",
"updated_at": "2022-09-04T14:38:18.251380Z",
"structure_string": "Sm2 Ge2 Pd2\n1.0\n4.464269 0.010875 3.540284\n2.272865 3.842382 3.540284\n-0.002581 -0.001476 7.232571\nSm Ge Pd\n2 2 2\ndirect\n0.544519 0.544517 0.694447 Sm\n0.455483 0.455482 0.305551 Sm\n0.841356 0.841356 0.100997 Ge\n0.158645 0.158644 0.899001 Ge\n0.178070 0.178070 0.276686 Pd\n0.821931 0.821930 0.723312 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Sm",
"density": 8.827726342912062,
"density_atomic": 0.04841401005963334,
"volume": 123.93106856072397,
"volume_molar": 12.438838990164838,
"formula_full": "Sm2 Ge2 Pd2",
"formula_reduced": "SmGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8812501749999998,
"spacegroup": 12
},
{
"id": "jvasp-44129",
"created_at": "2022-09-04T14:38:18.350828Z",
"updated_at": "2022-09-04T14:38:18.350840Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.875181 4.433899 0.125863\n-4.875181 4.433899 -0.125863\n-0.453923 0.000000 5.657498\nLi Mn F\n4 4 12\ndirect\n0.334026 0.665974 0.910056 Li\n0.330188 0.330188 0.500000 Li\n0.669813 0.669812 0.500000 Li\n0.665975 0.334026 0.089944 Li\n0.233191 0.766810 0.337147 Mn\n0.187870 0.187870 0.000000 Mn\n0.812131 0.812131 0.000000 Mn\n0.766810 0.233190 0.662854 Mn\n0.921791 0.718146 0.338240 F\n0.281855 0.078209 0.338240 F\n0.474364 0.228045 0.848795 F\n0.771955 0.525637 0.848795 F\n0.228045 0.474363 0.151206 F\n0.379008 0.620992 0.606172 F\n0.078210 0.281854 0.661761 F\n0.718146 0.921791 0.661761 F\n0.620993 0.379008 0.393828 F\n0.140438 0.859562 0.946681 F\n0.525637 0.771955 0.151206 F\n0.859563 0.140438 0.053320 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.221567837432547,
"density_atomic": 0.08160192068877155,
"volume": 245.09227026995708,
"volume_molar": 7.379900753768224,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.426671617775862,
"spacegroup": 12
},
{
"id": "jvasp-110322",
"created_at": "2022-09-04T14:38:18.529821Z",
"updated_at": "2022-09-04T14:38:18.529837Z",
"structure_string": "Li2 Mn2 O4\n1.0\n3.078567 0.022441 0.191683\n0.562082 4.815946 -1.374402\n0.026026 0.005264 5.047122\nLi Mn O\n2 2 4\ndirect\n1.000000 0.499999 0.499999 Li\n0.500000 0.999999 0.500000 Li\n0.500000 0.500002 -0.000000 Mn\n0.000003 0.000001 0.000001 Mn\n0.531337 0.255532 0.235089 O\n0.031336 0.755532 0.235093 O\n0.468665 0.744466 0.764909 O\n0.968665 0.244467 0.764906 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.170127885452788,
"density_atomic": 0.10700329613265579,
"volume": 74.76405203520194,
"volume_molar": 5.627995564299382,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9313260603448277,
"spacegroup": 12
},
{
"id": "jvasp-108764",
"created_at": "2022-09-04T14:38:18.460687Z",
"updated_at": "2022-09-04T14:38:18.460706Z",
"structure_string": "La2 Al2 Zn2\n1.0\n4.527681 0.022511 3.734077\n2.113937 4.003956 3.734077\n-0.015893 -0.009635 7.698003\nLa Al Zn\n2 2 2\ndirect\n0.460807 0.460805 0.794074 La\n0.539195 0.539194 0.205926 La\n0.838063 0.838062 0.606368 Al\n0.161939 0.161938 0.393632 Al\n0.165758 0.165756 0.776266 Zn\n0.834244 0.834243 0.223734 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Zn"
],
"chemical_system": "Al-La-Zn",
"density": 5.506029074425202,
"density_atomic": 0.043007333754266706,
"volume": 139.5110897662831,
"volume_molar": 14.00259033589254,
"formula_full": "La2 Al2 Zn2",
"formula_reduced": "LaAlZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4199794000000001,
"spacegroup": 12
},
{
"id": "jvasp-108131",
"created_at": "2022-09-04T14:38:18.718539Z",
"updated_at": "2022-09-04T14:38:18.718569Z",
"structure_string": "Dy2 Ge2 Pd2\n1.0\n4.435231 0.019904 3.494283\n2.291528 3.797442 3.494283\n-0.004551 -0.002583 7.031585\nDy Ge Pd\n2 2 2\ndirect\n0.547329 0.547328 0.691768 Dy\n0.452672 0.452671 0.308232 Dy\n0.841833 0.841831 0.099647 Ge\n0.158168 0.158168 0.900353 Ge\n0.176554 0.176553 0.277200 Pd\n0.823447 0.823446 0.722800 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Pd"
],
"chemical_system": "Dy-Ge-Pd",
"density": 9.597789636937875,
"density_atomic": 0.050766401392273716,
"volume": 118.18840483960632,
"volume_molar": 11.862453502399575,
"formula_full": "Dy2 Ge2 Pd2",
"formula_reduced": "DyGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8382893833333331,
"spacegroup": 12
},
{
"id": "jvasp-108700",
"created_at": "2022-09-04T14:38:19.636647Z",
"updated_at": "2022-09-04T14:38:19.636657Z",
"structure_string": "Dy4 Fe2 Si4\n1.0\n5.017404 0.003311 2.570869\n3.318232 3.763468 2.570869\n0.011373 0.005139 9.974980\nDy Fe Si\n4 2 4\ndirect\n0.001890 0.001891 0.327991 Dy\n-0.001891 -0.001890 0.672010 Dy\n0.811414 0.811416 0.107121 Dy\n0.188584 0.188585 0.892880 Dy\n0.727375 0.727376 0.623698 Fe\n0.272623 0.272624 0.376302 Fe\n0.657454 0.657455 0.434408 Si\n0.342544 0.342545 0.565592 Si\n0.500423 0.500424 0.127559 Si\n0.499575 0.499577 0.872442 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Si"
],
"chemical_system": "Dy-Fe-Si",
"density": 7.715345826053662,
"density_atomic": 0.05315926486974185,
"volume": 188.11396328567326,
"volume_molar": 11.328487658277966,
"formula_full": "Dy4 Fe2 Si4",
"formula_reduced": "Dy2FeSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5256411399999994,
"spacegroup": 12
},
{
"id": "jvasp-9142",
"created_at": "2022-09-04T14:38:19.103727Z",
"updated_at": "2022-09-04T14:38:19.103757Z",
"structure_string": "In2 Si2 O7\n1.0\n4.709722 0.003431 -0.646984\n-0.946602 5.229805 -1.400908\n0.004690 0.004091 5.496310\nIn Si O\n2 2 7\ndirect\n0.000000 0.307255 0.692745 In\n0.000000 0.692744 0.307255 In\n0.410783 0.220341 0.220342 Si\n0.589217 0.779657 0.779658 Si\n0.780424 0.921051 0.608440 O\n0.219576 0.391560 0.078948 O\n0.219575 0.078948 0.391560 O\n0.780424 0.608439 0.921053 O\n0.500000 -0.000000 0.000000 O\n0.282347 0.609600 0.609600 O\n0.717653 0.390399 0.390400 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"In",
"Si",
"O"
],
"chemical_system": "In-O-Si",
"density": 4.87710677690306,
"density_atomic": 0.08121533049649475,
"volume": 135.44240887469834,
"volume_molar": 7.415029555608243,
"formula_full": "In2 Si2 O7",
"formula_reduced": "In2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.220121967272727,
"spacegroup": 12
},
{
"id": "jvasp-108639",
"created_at": "2022-09-04T14:38:19.297959Z",
"updated_at": "2022-09-04T14:38:19.297989Z",
"structure_string": "Ho1 Mg5\n1.0\n5.352928 -0.561869 1.649601\n4.000436 3.600839 1.649601\n-0.054541 -0.017721 6.602250\nHo Mg\n1 5\ndirect\n0.500001 0.500000 0.500000 Ho\n0.164097 0.164097 0.676464 Mg\n0.823978 0.823978 0.836841 Mg\n0.500001 0.500000 -0.000000 Mg\n0.176023 0.176023 0.163158 Mg\n0.835904 0.835903 0.323535 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 3.337740435096862,
"density_atomic": 0.042101524371989024,
"volume": 142.51265457722758,
"volume_molar": 14.303854432422048,
"formula_full": "Ho1 Mg5",
"formula_reduced": "HoMg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-52097",
"created_at": "2022-09-04T14:38:19.595398Z",
"updated_at": "2022-09-04T14:38:19.595421Z",
"structure_string": "Tb4 Fe2 Si4\n1.0\n4.033647 -0.000000 0.953209\n1.963267 5.285944 0.703236\n0.005625 -0.062907 8.987293\nTb Fe Si\n4 2 4\ndirect\n0.188913 0.728774 0.893400 Tb\n0.811088 0.271225 0.106600 Tb\n0.997865 0.332197 0.672074 Tb\n0.002136 0.667802 0.327926 Tb\n0.726743 0.923456 0.623058 Fe\n0.273257 0.076543 0.376942 Fe\n0.500719 0.126558 0.872003 Si\n0.499282 0.873441 0.127997 Si\n0.340901 0.752104 0.566095 Si\n0.659100 0.247894 0.433906 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Tb",
"density": 7.448866302561525,
"density_atomic": 0.052176781071839554,
"volume": 191.6561312249506,
"volume_molar": 11.541801997536837,
"formula_full": "Tb4 Fe2 Si4",
"formula_reduced": "Tb2FeSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5379219,
"spacegroup": 12
},
{
"id": "jvasp-27196",
"created_at": "2022-09-04T14:38:19.632397Z",
"updated_at": "2022-09-04T14:38:19.632417Z",
"structure_string": "Rb2 Ti6 O13\n1.0\n3.838074 0.000000 -0.000000\n-1.919038 7.882983 -1.445531\n-0.000000 0.003952 9.188888\nRb Ti O\n2 6 13\ndirect\n0.455069 0.910140 0.250922 Rb\n0.544929 0.089859 0.749078 Rb\n0.114580 0.229161 0.095107 Ti\n0.885418 0.770838 0.904893 Ti\n0.173760 0.347519 0.437422 Ti\n0.826238 0.652480 0.562579 Ti\n0.234094 0.468188 0.778951 Ti\n0.765904 0.531811 0.221049 Ti\n0.641037 0.282078 0.110569 O\n0.358960 0.717922 0.889432 O\n0.861653 0.723308 0.384257 O\n0.138345 0.276691 0.615743 O\n0.703480 0.406964 0.428006 O\n0.761516 0.523035 0.760922 O\n0.918574 0.837151 0.709988 O\n0.081424 0.162848 0.290013 O\n0.169699 0.339398 0.917709 O\n0.238482 0.476964 0.239078 O\n0.000000 0.000000 0.000000 O\n0.296517 0.593035 0.571994 O\n0.830299 0.660601 0.082291 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Rb",
"Ti",
"O"
],
"chemical_system": "O-Rb-Ti",
"density": 3.9783850880182134,
"density_atomic": 0.07552976839078716,
"volume": 278.0360703788614,
"volume_molar": 7.973201677041762,
"formula_full": "Rb2 Ti6 O13",
"formula_reduced": "Rb2Ti6O13",
"formula_anonymous": "A2B6C13",
"energy_above_hull": 3.01626169047619,
"spacegroup": 12
},
{
"id": "jvasp-19753",
"created_at": "2022-09-04T14:38:19.678384Z",
"updated_at": "2022-09-04T14:38:19.678410Z",
"structure_string": "Te6 Ir3\n1.0\n3.977271 -0.000000 -0.801705\n-0.008275 5.445626 -0.041052\n0.008216 -0.000488 10.307273\nTe Ir\n6 3\ndirect\n0.878855 0.287179 0.757711 Te\n0.121144 0.712821 0.242290 Te\n0.780452 0.759342 0.560906 Te\n0.544511 0.222317 0.089024 Te\n0.455489 0.777684 0.910977 Te\n0.219547 0.240658 0.439094 Te\n-0.000001 0.500000 0.000000 Ir\n0.340256 0.002189 0.680511 Ir\n0.659743 0.997812 0.319489 Ir\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.982433987071323,
"density_atomic": 0.04030845226153199,
"volume": 223.27823310122648,
"volume_molar": 14.940143870885302,
"formula_full": "Te6 Ir3",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8192422111111108,
"spacegroup": 12
},
{
"id": "jvasp-52261",
"created_at": "2022-09-04T14:38:19.755491Z",
"updated_at": "2022-09-04T14:38:19.755517Z",
"structure_string": "Li1 Ag1 F4\n1.0\n3.513966 0.185541 0.180871\n0.230303 4.626921 0.007690\n0.229199 0.207881 4.622422\nLi Ag F\n1 1 4\ndirect\n0.499418 0.497746 0.996356 Li\n0.998927 0.997745 0.496391 Ag\n0.998967 0.692431 0.801051 F\n0.442175 0.788010 0.285977 F\n0.555663 0.207456 0.706812 F\n-0.001071 0.303076 0.191747 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.23750978835207,
"density_atomic": 0.08024686864412753,
"volume": 74.76927263801814,
"volume_molar": 7.504518072482697,
"formula_full": "Li1 Ag1 F4",
"formula_reduced": "LiAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0014116666666666,
"spacegroup": 12
}
]
}