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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4140",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4138",
"results": [
{
"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": [
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"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",
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"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": [
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"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
},
{
"id": "jvasp-109218",
"created_at": "2022-09-04T14:38:19.793243Z",
"updated_at": "2022-09-04T14:38:19.793266Z",
"structure_string": "V2 Cd1 O6\n1.0\n4.845255 -0.098475 1.478678\n3.602958 3.241123 1.478678\n0.543835 0.202301 6.984896\nV Cd O\n2 1 6\ndirect\n0.817045 0.817046 0.636229 V\n0.182954 0.182954 0.363772 V\n0.000000 0.000000 0.000000 Cd\n0.974966 0.974968 0.694576 O\n0.692910 0.692911 0.438511 O\n0.307088 0.307089 0.561491 O\n0.668459 0.668460 0.871638 O\n0.331539 0.331540 0.128364 O\n0.025032 0.025032 0.305426 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 4.722190808564944,
"density_atomic": 0.08248378931196515,
"volume": 109.11234892423225,
"volume_molar": 7.3009991541773465,
"formula_full": "V2 Cd1 O6",
"formula_reduced": "V2CdO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.5483487944444443,
"spacegroup": 12
},
{
"id": "jvasp-109390",
"created_at": "2022-09-04T14:38:20.295668Z",
"updated_at": "2022-09-04T14:38:20.295678Z",
"structure_string": "Mg4 B3 Ir2\n1.0\n4.570125 -0.001686 1.840882\n2.027780 4.095626 1.840882\n0.041305 0.025630 6.920474\nMg B Ir\n4 3 2\ndirect\n0.288054 0.325819 0.842225 Mg\n0.674181 0.711946 0.157774 Mg\n0.284783 0.322539 0.360014 Mg\n0.677461 0.715218 0.639984 Mg\n0.654130 0.345869 -0.000000 B\n0.308077 0.691923 -0.000000 B\n0.981095 0.018904 0.500000 B\n0.995616 0.033397 0.780651 Ir\n0.966602 0.004384 0.219348 Ir\n",
"nsites": 9,
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"elements": [
"Mg",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg",
"density": 6.611059333381744,
"density_atomic": 0.069699208310822,
"volume": 129.1262873441074,
"volume_molar": 8.640185313360236,
"formula_full": "Mg4 B3 Ir2",
"formula_reduced": "Mg4B3Ir2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.489421794444444,
"spacegroup": 12
}
]
}