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=3581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3579",
"results": [
{
"id": "jvasp-44061",
"created_at": "2022-09-04T14:36:54.502149Z",
"updated_at": "2022-09-04T14:36:54.502171Z",
"structure_string": "Li4 Fe2 B2 P2 O14\n1.0\n0.000000 5.003185 0.030136\n6.092286 0.000000 0.000000\n0.000000 -0.580953 -8.498809\nLi Fe B P O\n4 2 2 2 14\ndirect\n0.766742 0.483552 0.204222 Li\n0.766742 0.016448 0.204222 Li\n0.233259 0.983553 0.795778 Li\n0.233259 0.516448 0.795778 Li\n0.209893 0.250000 0.329823 Fe\n0.790108 0.750001 0.670177 Fe\n0.266942 0.250000 0.056291 B\n0.733060 0.750001 0.943709 B\n0.276710 0.750001 0.428579 P\n0.723291 0.250000 0.571420 P\n0.530110 0.750001 0.817075 O\n0.813817 0.053928 0.678017 O\n0.813817 0.446072 0.678017 O\n0.139268 0.750001 0.584137 O\n0.415835 0.250000 0.532285 O\n0.584166 0.750001 0.467715 O\n0.022418 0.250000 0.129577 O\n0.186185 0.553928 0.321983 O\n0.186185 0.946073 0.321983 O\n0.469892 0.250000 0.182925 O\n0.977583 0.750001 0.870423 O\n0.698584 0.750001 0.095247 O\n0.860733 0.250000 0.415863 O\n0.301418 0.250000 0.904752 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Fe",
"B",
"P",
"O"
],
"chemical_system": "B-Fe-Li-O-P",
"density": 2.8665878338854904,
"density_atomic": 0.09268408793718207,
"volume": 258.9441244355378,
"volume_molar": 6.497491526357351,
"formula_full": "Li4 Fe2 B2 P2 O14",
"formula_reduced": "Li2FeBPO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.788052340277778,
"spacegroup": 11
},
{
"id": "jvasp-46372",
"created_at": "2022-09-04T14:38:11.074889Z",
"updated_at": "2022-09-04T14:38:11.074916Z",
"structure_string": "Tm6 W1 O12\n1.0\n4.829362 2.788234 3.063364\n-4.829362 2.788234 3.063364\n0.000000 -5.576468 3.063364\nTm W O\n6 1 12\ndirect\n0.388664 0.856219 0.682486 Tm\n0.317513 0.611334 0.143779 Tm\n0.143779 0.317513 0.611335 Tm\n0.856219 0.682485 0.388665 Tm\n0.682485 0.388664 0.856221 Tm\n0.611334 0.143779 0.317514 Tm\n0.000000 0.000000 0.000000 W\n0.822710 0.411064 0.570446 O\n0.429553 0.177288 0.588935 O\n0.920828 0.700292 0.035197 O\n0.588935 0.429553 0.177289 O\n0.411064 0.570445 0.822711 O\n0.177288 0.588935 0.429554 O\n0.570445 0.822710 0.411065 O\n0.700292 0.035197 0.920829 O\n0.299707 0.964802 0.079171 O\n0.035197 0.920828 0.700293 O\n0.079170 0.299707 0.964802 O\n0.964802 0.079170 0.299707 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tm",
"W",
"O"
],
"chemical_system": "O-Tm-W",
"density": 9.322222290488344,
"density_atomic": 0.07676880264283903,
"volume": 247.49637021689716,
"volume_molar": 7.844515679132771,
"formula_full": "Tm6 W1 O12",
"formula_reduced": "Tm6WO12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.7880688157894733,
"spacegroup": 148
},
{
"id": "jvasp-36673",
"created_at": "2022-09-04T14:37:17.375160Z",
"updated_at": "2022-09-04T14:37:17.375170Z",
"structure_string": "Cd1 Co3 N1\n1.0\n3.844246 -0.000000 0.000000\n-0.000000 3.844246 -0.000000\n-0.000000 -0.000000 3.844246\nCd Co N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"Co",
"N"
],
"chemical_system": "Cd-Co-N",
"density": 8.86277122087904,
"density_atomic": 0.08801090583318025,
"volume": 56.8111412178534,
"volume_molar": 6.84249378300302,
"formula_full": "Cd1 Co3 N1",
"formula_reduced": "CdCo3N",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.7881091400000004,
"spacegroup": 221
},
{
"id": "jvasp-8398",
"created_at": "2022-09-04T14:37:12.646100Z",
"updated_at": "2022-09-04T14:37:12.646132Z",
"structure_string": "Mo2 S4\n1.0\n4.768046 -0.000000 -2.168558\n-0.986282 4.664921 -2.168559\n-0.019961 -0.024623 6.282182\nMo S\n2 4\ndirect\n0.250001 0.750000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.866541 0.875000 0.250000 S\n0.625001 0.133461 0.750000 S\n0.383461 0.375000 0.250000 S\n0.125001 0.616540 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 3.818381114401402,
"density_atomic": 0.043096448842751475,
"volume": 139.22260792049363,
"volume_molar": 13.973635697858393,
"formula_full": "Mo2 S4",
"formula_reduced": "MoS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.788215299999999,
"spacegroup": 122
},
{
"id": "jvasp-119098",
"created_at": "2022-09-04T14:38:48.549407Z",
"updated_at": "2022-09-04T14:38:48.549415Z",
"structure_string": "Ho4 Mo4 O20\n1.0\n12.392676 0.000000 0.000000\n-0.000000 4.730139 2.363358\n-0.000000 0.102854 6.838032\nHo Mo O\n4 4 20\ndirect\n0.058865 0.656839 0.716721 Ho\n0.941135 0.343160 0.283280 Ho\n0.558865 0.343160 0.783280 Ho\n0.441135 0.656840 0.216721 Ho\n0.363482 0.913379 0.647703 Mo\n0.636518 0.086620 0.352297 Mo\n0.863482 0.086620 0.852297 Mo\n0.136518 0.913379 0.147703 Mo\n0.057481 0.706591 0.040923 O\n0.235120 0.769845 0.737044 O\n0.764881 0.230154 0.262956 O\n0.339638 0.233515 0.414185 O\n0.264880 0.769846 0.237044 O\n0.660363 0.766485 0.585816 O\n0.942520 0.293408 0.959077 O\n0.735120 0.230153 0.762956 O\n0.557481 0.293408 0.459077 O\n0.078230 0.018710 0.344435 O\n0.578231 0.981290 0.155565 O\n0.421770 0.018709 0.844435 O\n0.160362 0.233514 0.914185 O\n0.921770 0.981290 0.655565 O\n0.057831 0.457315 0.486800 O\n0.942170 0.542684 0.513201 O\n0.557831 0.542684 0.013201 O\n0.442170 0.457315 0.986800 O\n0.442520 0.706591 0.540923 O\n0.839638 0.766485 0.085816 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ho",
"Mo",
"O"
],
"chemical_system": "Ho-Mo-O",
"density": 5.691156155349235,
"density_atomic": 0.07038240106604607,
"volume": 397.8267233839481,
"volume_molar": 8.556316165384711,
"formula_full": "Ho4 Mo4 O20",
"formula_reduced": "HoMoO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.7882927095238097,
"spacegroup": 14
},
{
"id": "jvasp-46940",
"created_at": "2022-09-04T14:38:04.043909Z",
"updated_at": "2022-09-04T14:38:04.043935Z",
"structure_string": "Mn6 O7 F5\n1.0\n5.451673 -0.006117 -0.012117\n1.728850 5.223780 0.008185\n2.216549 1.444843 6.744269\nMn O F\n6 7 5\ndirect\n0.688884 0.689236 0.838920 Mn\n0.338208 0.338175 0.672548 Mn\n0.678260 0.611370 0.308789 Mn\n0.329039 0.332073 0.164221 Mn\n0.986673 0.985862 0.504309 Mn\n0.977075 0.044530 0.002084 Mn\n0.686174 0.340569 0.000756 O\n0.642817 0.031579 0.671313 O\n0.970750 0.324992 0.328944 O\n0.770984 0.793489 0.029823 O\n0.228688 0.248497 0.957997 O\n0.028936 0.643503 0.673300 O\n0.429338 0.414793 0.378838 O\n0.110025 0.108704 0.685158 F\n0.365222 0.924568 0.341092 F\n0.893298 0.854052 0.312109 F\n0.575382 0.573490 0.640486 F\n0.300247 0.740508 0.989300 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.63659603469702,
"density_atomic": 0.09366104086588026,
"volume": 192.18236134889264,
"volume_molar": 6.429717953512305,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.788300520043103,
"spacegroup": 1
},
{
"id": "jvasp-46394",
"created_at": "2022-09-04T14:38:09.485568Z",
"updated_at": "2022-09-04T14:38:09.485603Z",
"structure_string": "Li4 Mn4 B4 O16\n1.0\n4.433910 0.000000 0.000000\n0.000000 5.472424 0.000000\n0.000000 0.000000 9.402558\nLi Mn B O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.989434 0.250000 0.729442 Mn\n0.510566 0.250000 0.229442 Mn\n0.489434 0.749999 0.770559 Mn\n0.010566 0.749999 0.270559 Mn\n0.561960 0.749999 0.090760 B\n0.938041 0.749999 0.590761 B\n0.061960 0.250000 0.409240 B\n0.438041 0.250000 0.909240 B\n0.244289 0.749999 0.102775 O\n0.255711 0.749999 0.602775 O\n0.680925 0.749999 0.946550 O\n0.819075 0.749999 0.446550 O\n0.775388 0.539003 0.669790 O\n0.724612 0.539003 0.169790 O\n0.224612 0.460996 0.330211 O\n0.224612 0.039003 0.330211 O\n0.744289 0.250000 0.397225 O\n0.319075 0.250000 0.053450 O\n0.755711 0.250000 0.897225 O\n0.180925 0.250000 0.553450 O\n0.775388 0.960996 0.669790 O\n0.275388 0.039003 0.830211 O\n0.275388 0.460996 0.830211 O\n0.724612 0.960996 0.169790 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.9794744109888396,
"density_atomic": 0.12272849198222896,
"volume": 228.1458815940995,
"volume_molar": 4.906880759907002,
"formula_full": "Li4 Mn4 B4 O16",
"formula_reduced": "LiMnBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7883748321018063,
"spacegroup": 62
},
{
"id": "jvasp-74848",
"created_at": "2022-09-04T14:35:44.674907Z",
"updated_at": "2022-09-04T14:35:44.674933Z",
"structure_string": "Be2 Co1 Ir1\n1.0\n2.735723 0.000000 0.000000\n-0.000000 2.735723 0.000000\n-0.000000 0.000000 5.334822\nBe Co Ir\n2 1 1\ndirect\n0.000000 0.000000 0.768539 Be\n0.000000 0.000000 0.231460 Be\n0.499999 0.499999 0.000000 Co\n0.499999 0.499999 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ir"
],
"chemical_system": "Be-Co-Ir",
"density": 11.194866806767871,
"density_atomic": 0.1001834110527596,
"volume": 39.92676989101,
"volume_molar": 6.011115709394802,
"formula_full": "Be2 Co1 Ir1",
"formula_reduced": "Be2CoIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.78837855,
"spacegroup": 123
},
{
"id": "jvasp-43897",
"created_at": "2022-09-04T14:36:45.433173Z",
"updated_at": "2022-09-04T14:36:45.433196Z",
"structure_string": "Mn6 O7 F5\n1.0\n-4.654619 4.654619 3.017916\n-0.049690 4.601389 -3.012349\n-4.601389 0.049690 -3.012349\nMn O F\n6 7 5\ndirect\n0.825030 0.700219 0.700219 Mn\n0.672028 0.339333 0.339333 Mn\n0.314171 0.647047 0.647047 Mn\n0.184768 0.309430 0.309430 Mn\n0.495708 0.997810 0.997810 Mn\n0.001505 0.005523 0.005523 Mn\n0.665602 0.647584 0.036826 O\n0.332185 0.956425 0.351309 O\n0.377637 0.422400 0.422400 O\n0.965469 0.231592 0.231592 O\n0.332185 0.351309 0.956425 O\n0.665602 0.036826 0.647584 O\n0.027676 0.778603 0.778603 O\n-0.000058 0.320913 0.691985 F\n0.300567 0.880734 0.880734 F\n0.637498 0.579947 0.579947 F\n0.702487 0.102321 0.102321 F\n-0.000058 0.691985 0.320913 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.652339159045567,
"density_atomic": 0.09397905809272762,
"volume": 191.53203240491823,
"volume_molar": 6.4079603288405504,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.78838218670977,
"spacegroup": 8
},
{
"id": "jvasp-42540",
"created_at": "2022-09-04T14:35:45.719793Z",
"updated_at": "2022-09-04T14:35:45.719818Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.606401 -0.136063 0.006575\n-0.136063 4.606401 -0.006575\n0.013446 -0.013446 9.081400\nMn O F\n6 7 5\ndirect\n0.987020 0.002581 0.008762 Mn\n0.023773 0.023772 0.333333 Mn\n0.002582 0.987019 0.657904 Mn\n0.495303 0.495301 0.833333 Mn\n0.519820 0.466035 0.158484 Mn\n0.466036 0.519820 0.508183 Mn\n0.817003 0.188068 0.171102 O\n0.678961 0.702792 0.666372 O\n0.702793 0.678960 0.000294 O\n0.318342 0.318341 0.333333 O\n0.310630 0.287416 -0.000216 O\n0.188069 0.817002 0.495565 O\n0.287417 0.310630 0.666882 O\n0.779895 0.224725 0.497599 F\n0.224726 0.779894 0.169068 F\n0.186173 0.803761 0.843506 F\n0.707710 0.707709 0.333333 F\n0.803763 0.186172 0.823161 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.628255848888164,
"density_atomic": 0.09349256587301336,
"volume": 192.5286768195941,
"volume_molar": 6.441304400800804,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.788437186709769,
"spacegroup": 5
},
{
"id": "jvasp-116833",
"created_at": "2022-09-04T14:38:45.568882Z",
"updated_at": "2022-09-04T14:38:45.568927Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.523364 -0.043086 0.095807\n0.118693 5.502538 0.391581\n0.017330 -0.022808 7.611342\nMn O F\n6 7 5\ndirect\n0.498681 0.500550 0.999124 Mn\n0.535294 0.840189 0.657040 Mn\n0.477551 0.170386 0.348607 Mn\n0.009447 0.328533 0.690663 Mn\n0.979573 0.658019 0.314479 Mn\n0.982683 0.996886 0.989358 Mn\n0.194445 0.292199 0.905068 O\n0.303846 0.459096 0.230705 O\n0.296205 0.122723 0.571982 O\n0.696986 0.543328 0.770549 O\n0.794179 0.713807 0.088133 O\n0.794142 0.047906 0.773606 O\n0.700766 0.872915 0.429357 O\n0.201644 0.624218 0.561996 F\n0.808208 0.361654 0.458707 F\n0.721700 0.199307 0.127970 F\n0.287972 0.806527 0.875642 F\n0.216665 0.961745 0.207015 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.701834671430387,
"density_atomic": 0.094978886668144,
"volume": 189.51580326364487,
"volume_molar": 6.3405046861007595,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.7885338533764363,
"spacegroup": 1
},
{
"id": "jvasp-98182",
"created_at": "2022-09-04T14:35:54.563088Z",
"updated_at": "2022-09-04T14:35:54.563113Z",
"structure_string": "La3 Al1 C1\n1.0\n5.196421 -0.000000 0.000000\n0.000000 5.196421 0.000000\n0.000000 -0.000000 5.196421\nLa Al C\n3 1 1\ndirect\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Al",
"C"
],
"chemical_system": "Al-C-La",
"density": 5.39291258473415,
"density_atomic": 0.03563337979500856,
"volume": 140.3178712983153,
"volume_molar": 16.90027944204038,
"formula_full": "La3 Al1 C1",
"formula_reduced": "La3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.78884956,
"spacegroup": 221
}
]
}