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=-energy_above_hull&page=4635",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4633",
"results": [
{
"id": "jvasp-31201",
"created_at": "2022-09-04T14:37:36.622857Z",
"updated_at": "2022-09-04T14:37:36.622880Z",
"structure_string": "Li4 Mg2 Cl8\n1.0\n7.337199 -0.035587 -0.021161\n3.637780 6.371994 -0.021161\n3.641049 2.102160 5.945807\nLi Mg Cl\n4 2 8\ndirect\n0.111039 0.111039 0.138961 Li\n0.500000 0.499999 0.000000 Li\n0.500000 0.499999 0.500000 Li\n0.888961 0.888960 0.861040 Li\n0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.251617 0.251617 0.260480 Cl\n0.251617 0.251617 0.736286 Cl\n0.252624 0.724153 0.261611 Cl\n0.724154 0.252623 0.261611 Cl\n0.275846 0.747376 0.738389 Cl\n0.747377 0.275845 0.738389 Cl\n0.748383 0.748382 0.263714 Cl\n0.748383 0.748382 0.739521 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cl"
],
"chemical_system": "Cl-Li-Mg",
"density": 2.1394762483885574,
"density_atomic": 0.05010560607252034,
"volume": 279.4098524571702,
"volume_molar": 12.018896151627933,
"formula_full": "Li4 Mg2 Cl8",
"formula_reduced": "Li2MgCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 74
},
{
"id": "jvasp-41727",
"created_at": "2022-09-04T14:37:36.843914Z",
"updated_at": "2022-09-04T14:37:36.843933Z",
"structure_string": "Ca4 Mg4 Pb4\n1.0\n4.719700 0.000000 0.000000\n0.000000 7.895221 0.000000\n0.000000 0.000000 8.905137\nCa Mg Pb\n4 4 4\ndirect\n0.250000 0.022159 0.182749 Ca\n0.250000 0.522159 0.317252 Ca\n0.750000 0.477841 0.682749 Ca\n0.750000 0.977840 0.817252 Ca\n0.750000 0.358233 0.061196 Mg\n0.750000 0.858233 0.438804 Mg\n0.250000 0.141767 0.561196 Mg\n0.250000 0.641767 0.938805 Mg\n0.750000 0.738993 0.118125 Pb\n0.750000 0.238993 0.381875 Pb\n0.250000 0.761007 0.618125 Pb\n0.250000 0.261007 0.881875 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Pb"
],
"chemical_system": "Ca-Mg-Pb",
"density": 5.436161864023312,
"density_atomic": 0.03616279216733634,
"volume": 331.83278394191234,
"volume_molar": 16.65286444734053,
"formula_full": "Ca4 Mg4 Pb4",
"formula_reduced": "CaMgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-42126",
"created_at": "2022-09-04T14:37:36.875154Z",
"updated_at": "2022-09-04T14:37:36.875172Z",
"structure_string": "Pm1 Ga1 Cu2\n1.0\n0.000000 3.279184 3.279184\n3.279184 -0.000000 3.279184\n3.279184 3.279184 0.000000\nPm Ga Cu\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Pm\n0.250000 0.250000 0.250000 Ga\n0.499999 0.499999 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Pm",
"density": 8.048461298909885,
"density_atomic": 0.056719531746936336,
"volume": 70.5224439765594,
"volume_molar": 10.61740210915137,
"formula_full": "Pm1 Ga1 Cu2",
"formula_reduced": "PmGaCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39907",
"created_at": "2022-09-04T14:37:42.164277Z",
"updated_at": "2022-09-04T14:37:42.164302Z",
"structure_string": "Yb1 Sm1 Zn2\n1.0\n-0.000000 3.588355 3.588355\n3.588355 -0.000000 3.588355\n3.588355 3.588355 0.000000\nYb Sm Zn\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Yb\n0.249999 0.249999 0.249999 Sm\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"Zn"
],
"chemical_system": "Sm-Yb-Zn",
"density": 8.162012156330622,
"density_atomic": 0.04328563474564222,
"volume": 92.40941073187567,
"volume_molar": 13.912561974400246,
"formula_full": "Yb1 Sm1 Zn2",
"formula_reduced": "YbSmZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21928",
"created_at": "2022-09-04T14:37:36.621957Z",
"updated_at": "2022-09-04T14:37:36.621972Z",
"structure_string": "Rb3 Na1 Be2 F8\n1.0\n2.877637 -4.984212 -0.000000\n2.877637 4.984212 0.000000\n-0.000000 -0.000000 7.479278\nRb Na Be F\n3 1 2 8\ndirect\n0.333334 0.666668 0.826003 Rb\n0.000000 0.000000 0.500000 Rb\n0.666668 0.333334 0.173997 Rb\n0.000000 0.000000 0.000000 Na\n0.333334 0.666668 0.261726 Be\n0.666668 0.333334 0.738275 Be\n0.370004 0.185002 0.816498 F\n0.629997 0.814999 0.183502 F\n0.814999 0.629997 0.816498 F\n0.814999 0.185002 0.816498 F\n0.333334 0.666668 0.466717 F\n0.666668 0.333334 0.533283 F\n0.185002 0.370004 0.183502 F\n0.185002 0.814999 0.183502 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Be",
"F"
],
"chemical_system": "Be-F-Na-Rb",
"density": 3.4782803031954725,
"density_atomic": 0.06525380618404786,
"volume": 214.5468719558382,
"volume_molar": 9.228796160969672,
"formula_full": "Rb3 Na1 Be2 F8",
"formula_reduced": "Rb3NaBe2F8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-40913",
"created_at": "2022-09-04T14:37:41.997241Z",
"updated_at": "2022-09-04T14:37:41.997259Z",
"structure_string": "Pm2 Cl4\n1.0\n7.056110 -0.000000 0.000000\n-0.000000 7.056110 0.000000\n0.000000 0.000000 3.547827\nPm Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.279115 0.279115 0.000000 Cl\n0.720885 0.720885 0.000000 Cl\n0.220885 0.779115 0.500000 Cl\n0.779115 0.220885 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"Cl"
],
"chemical_system": "Cl-Pm",
"density": 4.05929566569511,
"density_atomic": 0.033967073486223284,
"volume": 176.64165275920934,
"volume_molar": 17.729348283250015,
"formula_full": "Pm2 Cl4",
"formula_reduced": "PmCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-12768",
"created_at": "2022-09-04T14:37:56.539869Z",
"updated_at": "2022-09-04T14:37:56.539893Z",
"structure_string": "Na3 Pa1 F8\n1.0\n4.974581 -0.000201 -2.227115\n-0.997435 4.873570 -2.227115\n-0.001817 -0.002224 6.664424\nNa Pa F\n3 1 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.250003 0.749998 0.500000 Na\n0.749998 0.250003 0.499999 Na\n0.000000 0.000000 0.000000 Pa\n0.353495 0.353495 0.235932 F\n0.882509 0.353495 0.235949 F\n0.353495 0.882509 0.235950 F\n0.117491 0.646506 0.764051 F\n0.646505 0.117492 0.764050 F\n0.117506 0.117503 0.764023 F\n0.646505 0.646506 0.764068 F\n0.882494 0.882498 0.235977 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Pa",
"F"
],
"chemical_system": "F-Na-Pa",
"density": 4.646757863719996,
"density_atomic": 0.07429353885740085,
"volume": 161.5214483594976,
"volume_molar": 8.10587414816638,
"formula_full": "Na3 Pa1 F8",
"formula_reduced": "Na3PaF8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-41307",
"created_at": "2022-09-04T14:37:34.949148Z",
"updated_at": "2022-09-04T14:37:34.949173Z",
"structure_string": "Na1 Sm1 Hg2\n1.0\n0.000000 3.678339 3.678339\n3.678339 0.000000 3.678339\n3.678339 3.678339 0.000000\nNa Sm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sm",
"Hg"
],
"chemical_system": "Hg-Na-Sm",
"density": 9.584652745572537,
"density_atomic": 0.040185996323107806,
"volume": 99.53716134941052,
"volume_molar": 14.985669912424544,
"formula_full": "Na1 Sm1 Hg2",
"formula_reduced": "NaSmHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-25605",
"created_at": "2022-09-04T14:37:42.533691Z",
"updated_at": "2022-09-04T14:37:42.533718Z",
"structure_string": "K6 Ca6 Al12 F54\n1.0\n7.146807 0.020792 0.000000\n-3.535986 6.210804 -0.000000\n-0.000000 0.000000 22.630399\nK Ca Al F\n6 6 12 54\ndirect\n0.009533 0.990465 0.000000 K\n0.961544 0.007003 0.833538 K\n0.990466 0.009534 0.500000 K\n0.007002 0.961543 0.666462 K\n0.992997 0.038456 0.166462 K\n0.038455 0.992996 0.333538 K\n0.498848 0.011784 0.083098 Ca\n0.011784 0.498847 0.416902 Ca\n0.483106 0.483106 0.750000 Ca\n0.988215 0.501152 0.916902 Ca\n0.516894 0.516893 0.250000 Ca\n0.501152 0.988215 0.583098 Ca\n0.516206 0.997383 0.413503 Al\n0.504558 0.487325 0.580048 Al\n0.512674 0.495441 0.419952 Al\n0.487325 0.504558 0.919952 Al\n0.019421 0.522053 0.246815 Al\n0.477946 0.980578 0.753185 Al\n0.997384 0.516206 0.086497 Al\n0.495441 0.512674 0.080048 Al\n0.483794 0.002616 0.913503 Al\n0.980578 0.477946 0.746815 Al\n0.522053 0.019421 0.253185 Al\n0.002616 0.483793 0.586497 Al\n0.452057 0.012133 0.333579 F\n0.325352 0.112636 0.770981 F\n0.987867 0.547942 0.666421 F\n0.965554 0.401191 0.823433 F\n0.132110 0.796861 0.105911 F\n0.291437 0.751355 0.237750 F\n0.034446 0.598808 0.323433 F\n0.550555 0.262710 0.433867 F\n0.874003 0.232771 0.070792 F\n0.774928 0.671487 0.913607 F\n0.708562 0.248644 0.737750 F\n0.023572 0.416305 0.510802 F\n0.583694 0.976427 0.489198 F\n0.671487 0.774928 0.586393 F\n0.357150 0.140893 0.238491 F\n0.328513 0.225071 0.086393 F\n0.859107 0.642850 0.761509 F\n0.449444 0.737289 0.933867 F\n0.335112 0.200771 0.570732 F\n0.112636 0.325352 0.729019 F\n0.140893 0.357149 0.261509 F\n0.203137 0.867888 0.894089 F\n0.416305 0.023572 0.989198 F\n0.664888 0.799228 0.070732 F\n0.767229 0.125997 0.929208 F\n0.474675 0.725612 0.400572 F\n0.274387 0.525324 0.599428 F\n0.737289 0.449444 0.566133 F\n0.449748 0.534407 0.843236 F\n0.225071 0.328512 0.413607 F\n0.799229 0.664888 0.429268 F\n0.534407 0.449747 0.656764 F\n0.248644 0.708562 0.762250 F\n0.401190 0.965553 0.676567 F\n0.477368 0.522631 0.500000 F\n0.887363 0.674647 0.229019 F\n0.465592 0.550252 0.156764 F\n0.200771 0.335112 0.929268 F\n0.796862 0.132111 0.394089 F\n0.867889 0.203138 0.605911 F\n0.550252 0.465592 0.343236 F\n0.642850 0.859106 0.738491 F\n0.547942 0.987866 0.833579 F\n0.012133 0.452057 0.166421 F\n0.725612 0.474675 0.099428 F\n0.598809 0.034446 0.176567 F\n0.232770 0.874002 0.429208 F\n0.522632 0.477368 0.000000 F\n0.525324 0.274387 0.900572 F\n0.674648 0.887363 0.270981 F\n0.125997 0.767228 0.570792 F\n0.976427 0.583694 0.010802 F\n0.751355 0.291437 0.262250 F\n0.262710 0.550555 0.066133 F\n",
"nsites": 78,
"nelements": 4,
"elements": [
"K",
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F-K",
"density": 3.011491551122765,
"density_atomic": 0.07752178665664575,
"volume": 1006.168760602388,
"volume_molar": 7.768320390592722,
"formula_full": "K6 Ca6 Al12 F54",
"formula_reduced": "KCaAl2F9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 0.0,
"spacegroup": 20
},
{
"id": "jvasp-57079",
"created_at": "2022-09-04T14:37:42.565155Z",
"updated_at": "2022-09-04T14:37:42.565188Z",
"structure_string": "Rb2 Na1 Cr1 F6\n1.0\n5.154460 0.000000 2.975929\n1.718153 4.859673 2.975929\n0.000000 0.000000 5.951859\nRb Na Cr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Cr\n0.229594 0.770405 0.770406 F\n0.229594 0.770405 0.229596 F\n0.770405 0.229595 0.770406 F\n0.229595 0.229595 0.770405 F\n0.770405 0.229595 0.229595 F\n0.770405 0.770405 0.229596 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Cr",
"F"
],
"chemical_system": "Cr-F-Na-Rb",
"density": 4.008689648989634,
"density_atomic": 0.0670744538049752,
"volume": 149.08805711748124,
"volume_molar": 8.97829265596392,
"formula_full": "Rb2 Na1 Cr1 F6",
"formula_reduced": "Rb2NaCrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39877",
"created_at": "2022-09-04T14:37:42.565937Z",
"updated_at": "2022-09-04T14:37:42.565972Z",
"structure_string": "Ac1 Tl1 Ag2\n1.0\n0.000000 3.736916 3.736916\n3.736916 0.000000 3.736916\n3.736916 3.736916 0.000000\nAc Tl Ag\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ac\n0.750001 0.750001 0.750001 Tl\n0.000000 0.000000 0.000000 Ag\n0.500001 0.500001 0.500001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Tl",
"Ag"
],
"chemical_system": "Ac-Ag-Tl",
"density": 10.295885775258947,
"density_atomic": 0.03832569053850044,
"volume": 104.36863481903245,
"volume_molar": 15.713065245231265,
"formula_full": "Ac1 Tl1 Ag2",
"formula_reduced": "AcTlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39702",
"created_at": "2022-09-04T14:37:41.975322Z",
"updated_at": "2022-09-04T14:37:41.975344Z",
"structure_string": "Li1 Pr1 Hg2\n1.0\n0.000004 3.644905 3.644906\n3.644907 0.000004 3.644906\n3.644909 3.644906 0.000003\nLi Pr Hg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Li\n0.750000 0.750001 0.749999 Pr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.499998 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"Hg"
],
"chemical_system": "Hg-Li-Pr",
"density": 9.413596705942934,
"density_atomic": 0.04130203729124266,
"volume": 96.847522842369,
"volume_molar": 14.580735370351535,
"formula_full": "Li1 Pr1 Hg2",
"formula_reduced": "LiPrHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}