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=-density_atomic&page=446",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=444",
"results": [
{
"id": "jvasp-112856",
"created_at": "2022-09-04T14:38:44.692798Z",
"updated_at": "2022-09-04T14:38:44.692825Z",
"structure_string": "Na1 Li1 Fe2 Si4 O12\n1.0\n6.275517 0.023679 1.542067\n0.293293 6.268705 1.542067\n-0.018976 -0.018177 5.296918\nNa Li Fe Si O\n1 1 2 4 12\ndirect\n0.295626 0.704372 0.500001 Na\n0.744260 0.255740 0.000001 Li\n0.907575 0.092425 0.500001 Fe\n0.097856 0.902143 0.000001 Fe\n0.793741 0.612058 0.499929 Si\n0.616391 0.800306 0.989500 Si\n0.387941 0.206259 0.500073 Si\n0.199693 0.383608 0.010503 Si\n0.092593 0.620993 0.942966 O\n0.348147 0.372070 0.225478 O\n0.630511 0.109871 0.420720 O\n0.359104 0.345885 0.729684 O\n0.627929 0.651852 0.774524 O\n0.800151 0.978448 0.878880 O\n0.654115 0.640895 0.270318 O\n0.890129 0.369489 0.579282 O\n0.192568 0.038875 0.596900 O\n0.961125 0.807431 0.403102 O\n0.379006 0.907406 0.057036 O\n0.021551 0.199848 0.121122 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-Na-O-Si",
"density": 3.5484354426570692,
"density_atomic": 0.0958354562331816,
"volume": 208.6910292505635,
"volume_molar": 6.2838337674808535,
"formula_full": "Na1 Li1 Fe2 Si4 O12",
"formula_reduced": "NaLiFe2(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.93333282,
"spacegroup": 5
},
{
"id": "jvasp-48958",
"created_at": "2022-09-04T14:35:55.337191Z",
"updated_at": "2022-09-04T14:35:55.337210Z",
"structure_string": "Li4 Mn1 F8\n1.0\n5.867541 0.163080 0.230630\n-2.792538 4.836819 0.000000\n3.075001 -1.449193 4.790826\nLi Mn F\n4 1 8\ndirect\n-0.000000 0.500001 0.500000 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.250000 F\n0.215701 0.215701 0.215701 F\n0.229094 0.770907 0.770906 F\n0.229094 0.229095 0.770906 F\n0.770905 0.770906 0.229095 F\n0.770906 0.229095 0.229095 F\n0.784299 0.784300 0.784300 F\n0.750000 0.250001 0.750001 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.8729204015643215,
"density_atomic": 0.09583510279748367,
"volume": 135.64966928111167,
"volume_molar": 6.283856941986943,
"formula_full": "Li4 Mn1 F8",
"formula_reduced": "Li4MnF8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.3348776539522546,
"spacegroup": 139
},
{
"id": "jvasp-30463",
"created_at": "2022-09-04T14:38:08.047219Z",
"updated_at": "2022-09-04T14:38:08.047236Z",
"structure_string": "Zn2 H2\n1.0\n1.350529 -2.339184 0.000000\n1.350529 2.339184 0.000000\n0.000000 0.000000 6.606448\nZn H\n2 2\ndirect\n0.000000 0.000000 0.322573 Zn\n0.333337 0.666668 0.822572 Zn\n0.333337 0.666668 0.552428 H\n0.000000 0.000000 0.052426 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"H"
],
"chemical_system": "H-Zn",
"density": 5.284350797256724,
"density_atomic": 0.09582827615152277,
"volume": 41.74133314967742,
"volume_molar": 6.28430459343529,
"formula_full": "Zn2 H2",
"formula_reduced": "ZnH",
"formula_anonymous": "AB",
"energy_above_hull": 0.5356502,
"spacegroup": 186
},
{
"id": "jvasp-36416",
"created_at": "2022-09-04T14:37:27.296295Z",
"updated_at": "2022-09-04T14:37:27.296327Z",
"structure_string": "Ta1 N1\n1.0\n2.753257 0.000000 0.000000\n-0.000000 2.753257 0.000000\n0.000000 0.000000 2.753257\nTa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 15.511088781382416,
"density_atomic": 0.09582740760911825,
"volume": 20.87085573845467,
"volume_molar": 6.284361551931387,
"formula_full": "Ta1 N1",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy_above_hull": 3.686626225,
"spacegroup": 221
},
{
"id": "jvasp-10746",
"created_at": "2022-09-04T14:38:28.745195Z",
"updated_at": "2022-09-04T14:38:28.745230Z",
"structure_string": "Ni4 O8\n1.0\n4.865491 0.007352 2.804003\n1.613428 4.585586 2.811702\n0.004362 -0.006141 5.615705\nNi O\n4 8\ndirect\n0.500001 0.500000 0.499999 Ni\n-0.000000 0.500002 0.499999 Ni\n0.500000 0.500001 -0.000001 Ni\n0.499999 -0.000000 0.500001 Ni\n0.290878 0.736372 0.736378 O\n0.736371 0.736379 0.736370 O\n0.736371 0.290880 0.736371 O\n0.736378 0.736371 0.290879 O\n0.263628 0.263623 0.263628 O\n0.709121 0.263627 0.263622 O\n0.263621 0.263628 0.709122 O\n0.263628 0.709121 0.263630 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.810424214073978,
"density_atomic": 0.09582649359860151,
"volume": 125.22632885082552,
"volume_molar": 6.284421493314336,
"formula_full": "Ni4 O8",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.462696466666667,
"spacegroup": 227
},
{
"id": "jvasp-116639",
"created_at": "2022-09-04T14:38:32.576111Z",
"updated_at": "2022-09-04T14:38:32.576138Z",
"structure_string": "Ti2 Fe4 O8\n1.0\n2.940350 -0.012933 0.009898\n-1.447515 4.805822 -0.005719\n-0.034932 0.001913 10.352539\nTi Fe O\n2 4 8\ndirect\n0.867098 0.733300 0.573129 Ti\n0.132891 0.266711 0.073131 Ti\n0.589720 0.180268 0.802450 Fe\n0.868642 0.738379 0.914177 Fe\n0.410257 0.819710 0.302438 Fe\n0.131408 0.261634 0.414175 Fe\n0.217653 0.436450 0.882767 O\n0.782363 0.563544 0.382764 O\n0.754770 0.510893 0.103506 O\n0.245220 0.489105 0.603505 O\n0.494828 0.988657 0.492624 O\n0.505171 0.011336 0.992637 O\n0.035113 0.070013 0.231354 O\n0.964876 0.929996 0.731347 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 5.081827442135228,
"density_atomic": 0.09582641613995645,
"volume": 146.09750175309398,
"volume_molar": 6.284426573153419,
"formula_full": "Ti2 Fe4 O8",
"formula_reduced": "Ti(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.036136190476189,
"spacegroup": 36
},
{
"id": "jvasp-52566",
"created_at": "2022-09-04T14:35:44.555589Z",
"updated_at": "2022-09-04T14:35:44.555608Z",
"structure_string": "Ti2 Ga4 O10\n1.0\n5.018960 -0.007570 0.008081\n-2.501893 5.049460 0.025251\n-0.014444 -2.443467 6.579067\nTi Ga O\n2 4 10\ndirect\n0.997716 0.997812 0.498379 Ti\n0.997689 0.997796 0.998377 Ti\n0.635540 0.274118 0.727100 Ga\n0.636185 0.274121 0.227098 Ga\n0.359162 0.721388 0.769789 Ga\n0.359818 0.721378 0.269786 Ga\n0.417369 0.171040 0.949314 O\n0.751292 0.171057 0.449318 O\n0.337095 0.365577 0.646101 O\n0.969264 0.629987 0.850787 O\n0.026086 0.365564 0.146107 O\n0.658337 0.629993 0.350790 O\n0.244258 0.824625 0.547619 O\n0.800094 -0.002195 0.748453 O\n0.577982 0.824605 0.047617 O\n0.195326 0.997788 0.248453 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"O"
],
"chemical_system": "Ga-O-Ti",
"density": 5.31691213806603,
"density_atomic": 0.09582639875814995,
"volume": 166.96860371828606,
"volume_molar": 6.284427713076114,
"formula_full": "Ti2 Ga4 O10",
"formula_reduced": "TiGa2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8825525604166669,
"spacegroup": 15
},
{
"id": "jvasp-12709",
"created_at": "2022-09-04T14:38:09.932204Z",
"updated_at": "2022-09-04T14:38:09.932214Z",
"structure_string": "Ni4 O8\n1.0\n4.863416 -0.000000 2.807895\n1.621138 4.585274 2.807895\n0.000000 0.000000 5.615790\nNi O\n4 8\ndirect\n0.500000 0.500002 0.500000 Ni\n0.500001 0.000000 0.499998 Ni\n0.000001 0.500002 0.499999 Ni\n0.500000 0.500002 0.999998 Ni\n0.736371 0.736371 0.290887 O\n0.736371 0.736371 0.736370 O\n0.263630 0.263630 0.709110 O\n0.263631 0.709110 0.263628 O\n0.263630 0.263630 0.263629 O\n0.709111 0.263630 0.263629 O\n0.290891 0.736371 0.736370 O\n0.736373 0.290887 0.736370 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.810181401316134,
"density_atomic": 0.0958216566249481,
"volume": 125.23265014054958,
"volume_molar": 6.284738724118528,
"formula_full": "Ni4 O8",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.462716466666667,
"spacegroup": 227
},
{
"id": "jvasp-49581",
"created_at": "2022-09-04T14:37:18.725239Z",
"updated_at": "2022-09-04T14:37:18.725259Z",
"structure_string": "Y4 Co4 O12\n1.0\n0.000000 5.501756 -0.000539\n5.140430 0.000000 0.000000\n0.000000 -0.000697 -7.380588\nY Co O\n4 4 12\ndirect\n0.075106 0.021122 0.750001 Y\n0.424894 0.521122 0.249999 Y\n0.575106 0.478878 0.750001 Y\n0.924895 0.978878 0.250000 Y\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.971152 0.601677 0.750003 O\n0.528848 0.101677 0.249997 O\n0.697976 0.690313 0.050336 O\n0.802024 0.190313 0.949665 O\n0.197978 0.809690 0.449664 O\n0.802022 0.190310 0.550337 O\n0.302024 0.309687 0.949664 O\n0.197976 0.809687 0.050336 O\n0.028848 0.398323 0.249997 O\n0.697978 0.690310 0.449664 O\n0.302022 0.309690 0.550337 O\n0.471152 0.898323 0.750003 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Y",
"density": 6.231787527859945,
"density_atomic": 0.09581604789261135,
"volume": 208.7333013611205,
"volume_molar": 6.285106610480836,
"formula_full": "Y4 Co4 O12",
"formula_reduced": "YCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.35041337,
"spacegroup": 62
},
{
"id": "jvasp-96867",
"created_at": "2022-09-04T14:36:21.721251Z",
"updated_at": "2022-09-04T14:36:21.721276Z",
"structure_string": "H32 C8 N4 Cl4\n1.0\n-7.119100 3.579325 4.915135\n7.119100 -3.579325 4.915135\n7.119100 3.579325 -4.915135\nH C N Cl\n32 8 4 4\ndirect\n0.927775 0.858791 0.786565 H\n0.112275 0.402091 0.769870 H\n0.632221 0.342405 0.230130 H\n0.867781 0.097909 0.710185 H\n0.387725 0.157595 0.289816 H\n0.887726 0.597910 0.230130 H\n0.367780 0.657595 0.769870 H\n0.132221 0.902091 0.289815 H\n0.612276 0.842405 0.710185 H\n0.819514 0.258144 0.332883 H\n0.680488 0.013369 0.438631 H\n0.574739 0.241856 0.561370 H\n0.074738 0.513369 0.332882 H\n0.180487 0.741856 0.667118 H\n0.319514 0.986632 0.561369 H\n0.425262 0.758144 0.438631 H\n0.925263 0.486632 0.667119 H\n0.516473 0.144561 0.091680 H\n0.052881 0.424793 0.908321 H\n0.072226 0.141210 0.213436 H\n0.427775 0.641210 0.068984 H\n0.572227 0.358790 0.931017 H\n0.753069 0.779896 0.532965 H\n0.246932 0.220104 0.467036 H\n0.746933 0.279896 0.026828 H\n0.253069 0.720104 0.973173 H\n0.016473 0.924793 0.371912 H\n0.483528 0.855440 0.908321 H\n0.947120 0.575208 0.091680 H\n0.447120 0.355440 0.371912 H\n0.983528 0.075207 0.628089 H\n0.552882 0.644561 0.628088 H\n0.832260 0.022066 0.600250 C\n0.078183 0.477934 0.810193 C\n0.667741 0.267990 0.189807 C\n0.421818 0.232010 0.399751 C\n0.578184 0.767990 0.600250 C\n0.332260 0.732010 0.810193 C\n0.167741 0.977934 0.399750 C\n0.921818 0.522067 0.189807 C\n0.780653 0.852773 0.633425 N\n0.219348 0.147227 0.366576 N\n0.280653 0.647227 0.927880 N\n0.719349 0.352773 0.072121 N\n0.712294 0.637472 0.349764 Cl\n0.212293 0.862529 0.074821 Cl\n0.787708 0.137471 0.925179 Cl\n0.287708 0.362529 0.650237 Cl\n",
"nsites": 48,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N",
"density": 1.0811419843571397,
"density_atomic": 0.09581192549935583,
"volume": 500.98147751265805,
"volume_molar": 6.28537703277917,
"formula_full": "H32 C8 N4 Cl4",
"formula_reduced": "H8C2NCl",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.8290106097916654,
"spacegroup": 72
},
{
"id": "jvasp-48726",
"created_at": "2022-09-04T14:36:00.025906Z",
"updated_at": "2022-09-04T14:36:00.025920Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.538565 -0.000005 -0.000347\n0.000004 4.564811 -0.000029\n0.000698 0.000058 9.068768\nMn O F\n6 8 4\ndirect\n0.994964 0.969343 0.992453 Mn\n0.994964 0.969351 0.674213 Mn\n0.026355 0.995440 0.333333 Mn\n0.494959 0.530647 0.174213 Mn\n0.526364 0.504560 0.833333 Mn\n0.494960 0.530655 0.492452 Mn\n0.805681 0.179675 0.833334 O\n0.305669 0.320328 0.333334 O\n0.698125 0.713335 0.333333 O\n0.691489 0.688152 0.661938 O\n0.191486 0.811847 0.161939 O\n0.191487 0.811856 0.504727 O\n0.198134 0.786663 0.833334 O\n0.691489 0.688144 0.004728 O\n0.798462 0.205239 0.503384 F\n0.298468 0.294759 0.003385 F\n0.298469 0.294770 0.663283 F\n0.798460 0.205227 0.163284 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.716166910678106,
"density_atomic": 0.09580382532017225,
"volume": 187.8839382440605,
"volume_molar": 6.285908459160442,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6770829210153257,
"spacegroup": 31
},
{
"id": "jvasp-78516",
"created_at": "2022-09-04T14:36:40.358967Z",
"updated_at": "2022-09-04T14:36:40.358988Z",
"structure_string": "Co1 O2\n1.0\n-2.690217 0.000000 0.860498\n-1.482729 2.404005 -0.000000\n-2.748078 -0.035687 -3.955922\nCo O\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.598544 0.598541 0.204374 O\n0.401460 0.401456 0.795626 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.821933607243415,
"density_atomic": 0.09580246071219302,
"volume": 31.314435743070455,
"volume_molar": 6.285997995491515,
"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.072375966666667,
"spacegroup": 166
}
]
}