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=-nelements&page=510",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=508",
"results": [
{
"id": "jvasp-33344",
"created_at": "2022-09-04T14:38:06.553123Z",
"updated_at": "2022-09-04T14:38:06.553134Z",
"structure_string": "Sn2 H16 C8 I8\n1.0\n9.334151 -0.000000 0.000000\n-0.000000 9.334151 -0.000000\n-0.000000 0.000000 7.295601\nSn H C I\n2 16 8 8\ndirect\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.298210 0.534299 0.724385 H\n0.701790 0.465701 0.724385 H\n0.798210 0.965701 0.775615 H\n0.465701 0.298210 0.275615 H\n0.965701 0.201790 0.224385 H\n0.534299 0.701790 0.275615 H\n0.034299 0.798210 0.224385 H\n0.201790 0.034299 0.775615 H\n0.240983 0.156916 0.591273 H\n0.740983 0.343084 0.908727 H\n0.759017 0.843084 0.591273 H\n0.343084 0.259017 0.091273 H\n0.843084 0.240983 0.408727 H\n0.656916 0.740983 0.091273 H\n0.156916 0.759017 0.408727 H\n0.259017 0.656916 0.908727 H\n0.343835 0.606783 0.827150 C\n0.156165 0.106783 0.672850 C\n0.656165 0.393217 0.827150 C\n0.843835 0.893217 0.672850 C\n0.393217 0.343835 0.172850 C\n0.606783 0.656165 0.172850 C\n0.106783 0.843835 0.327150 C\n0.893217 0.156165 0.327150 C\n0.059039 0.280769 0.825787 I\n0.280769 0.940961 0.174213 I\n0.780769 0.559039 0.325787 I\n0.719231 0.059039 0.174213 I\n0.219231 0.440961 0.325787 I\n0.940961 0.719231 0.825787 I\n0.559039 0.219231 0.674213 I\n0.440961 0.780769 0.674213 I\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"I"
],
"chemical_system": "C-H-I-Sn",
"density": 3.5655715652754814,
"density_atomic": 0.05348945813049358,
"volume": 635.6392677797027,
"volume_molar": 11.258556303390302,
"formula_full": "Sn2 H16 C8 I8",
"formula_reduced": "SnH8(CI)4",
"formula_anonymous": "AB4C4D8",
"energy_above_hull": 3.2371927529411764,
"spacegroup": 114
},
{
"id": "jvasp-47032",
"created_at": "2022-09-04T14:38:05.206028Z",
"updated_at": "2022-09-04T14:38:05.206053Z",
"structure_string": "Li4 Ni2 O2 F4\n1.0\n2.878578 0.000000 0.000000\n0.000000 2.878578 -0.000000\n-0.000000 0.000000 12.539577\nLi Ni O F\n4 2 2 4\ndirect\n0.000000 0.000000 0.341871 Li\n0.500000 0.500000 0.504592 Li\n0.000000 0.000000 0.662076 Li\n0.500000 0.500000 0.824798 Li\n0.000000 0.000000 -0.000120 Ni\n0.500000 0.500000 0.166785 Ni\n0.500000 0.500000 0.997369 O\n0.000000 0.000000 0.169295 O\n0.500000 0.500000 0.346179 F\n0.000000 0.000000 0.503566 F\n0.500000 0.500000 0.663100 F\n0.000000 0.000000 0.820487 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.045539955060896,
"density_atomic": 0.11548946131412957,
"volume": 103.90558466075258,
"volume_molar": 5.2144504714762405,
"formula_full": "Li4 Ni2 O2 F4",
"formula_reduced": "Li2NiOF2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.4591360775000003,
"spacegroup": 129
},
{
"id": "jvasp-27542",
"created_at": "2022-09-04T14:38:04.296077Z",
"updated_at": "2022-09-04T14:38:04.296102Z",
"structure_string": "K2 In2 Ge4 O12\n1.0\n5.591444 0.005406 1.081730\n1.260740 6.948417 0.593169\n0.011188 0.023849 7.086685\nK In Ge O\n2 2 4 12\ndirect\n0.250000 0.311499 0.688502 K\n0.749999 0.688502 0.311499 K\n0.250000 0.896784 0.103217 In\n0.750000 0.103218 0.896784 In\n0.786735 0.195632 0.375272 Ge\n0.213265 0.804370 0.624729 Ge\n0.713264 0.624729 0.804370 Ge\n0.286735 0.375272 0.195631 Ge\n0.131090 0.963076 0.817668 O\n0.368909 0.182333 0.036925 O\n0.978685 0.665470 0.628666 O\n0.792380 0.395029 0.909877 O\n0.707619 0.090124 0.604972 O\n0.207619 0.604972 0.090124 O\n0.292381 0.909877 0.395029 O\n0.478686 0.628666 0.665469 O\n0.021314 0.334531 0.371335 O\n0.521314 0.371335 0.334532 O\n0.631090 0.817668 0.963076 O\n0.868909 0.036926 0.182333 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"In",
"Ge",
"O"
],
"chemical_system": "Ge-In-K-O",
"density": 4.769988746435451,
"density_atomic": 0.07268743492624526,
"volume": 275.15071924458016,
"volume_molar": 8.284981807530514,
"formula_full": "K2 In2 Ge4 O12",
"formula_reduced": "KIn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.570479087,
"spacegroup": 15
},
{
"id": "jvasp-45862",
"created_at": "2022-09-04T14:38:08.262941Z",
"updated_at": "2022-09-04T14:38:08.262971Z",
"structure_string": "Li3 Co3 Ni1 O8\n1.0\n4.961483 1.464904 -2.420405\n1.602271 -5.426730 -0.000000\n1.602271 -2.476825 -4.828533\nLi Co Ni O\n3 3 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.499999 0.000001 0.499999 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.000000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.212675 0.235701 0.023026 O\n0.212675 0.235702 0.528598 O\n0.212675 0.741273 0.023026 O\n0.218163 0.739388 0.521224 O\n0.781836 0.260613 0.478774 O\n0.787324 0.258729 0.976973 O\n0.787324 0.764300 0.471401 O\n0.787324 0.764301 0.976973 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.91274209048201,
"density_atomic": 0.11547370549474124,
"volume": 129.89970258365972,
"volume_molar": 5.21516195760623,
"formula_full": "Li3 Co3 Ni1 O8",
"formula_reduced": "Li3Co3NiO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.569162873333333,
"spacegroup": 166
},
{
"id": "jvasp-28620",
"created_at": "2022-09-04T14:38:08.243457Z",
"updated_at": "2022-09-04T14:38:08.243497Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.287062 0.000000 0.000000\n-1.643531 2.846620 0.000034\n0.000000 0.000438 38.727247\nTe Mo W S\n2 1 3 6\ndirect\n0.333307 0.666616 0.331728 Te\n0.333344 0.666691 0.231481 Te\n0.333417 0.666835 0.092764 Mo\n0.333163 0.666325 0.470815 W\n0.666658 0.333318 0.281574 W\n0.666774 0.333548 0.657713 W\n0.333445 0.666891 0.697465 S\n0.666720 0.333438 0.053278 S\n0.666521 0.333042 0.430922 S\n0.666683 0.333366 0.132417 S\n0.666485 0.332971 0.510724 S\n0.333483 0.666965 0.617866 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.017981195942408,
"density_atomic": 0.033115188278279195,
"volume": 362.37148643575733,
"volume_molar": 18.18543415605468,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.317864286111111,
"spacegroup": 156
},
{
"id": "jvasp-30444",
"created_at": "2022-09-04T14:38:04.116170Z",
"updated_at": "2022-09-04T14:38:04.116194Z",
"structure_string": "Mg2 H8 N4 O16\n1.0\n5.645984 0.000000 0.034188\n0.000000 5.966101 0.000000\n-0.082272 0.000000 8.546176\nMg H N O\n2 8 4 16\ndirect\n0.000000 0.500001 0.000000 Mg\n0.999998 0.000000 0.500001 Mg\n0.581158 0.276114 -0.011469 H\n0.218087 0.834556 0.110804 H\n0.781911 0.334554 0.389198 H\n0.418843 0.776115 0.511471 H\n0.581157 0.223885 0.488530 H\n0.218088 0.665445 0.610804 H\n0.781912 0.165445 0.889197 H\n0.418844 0.723886 0.011470 H\n0.252673 0.149201 0.800548 N\n0.747328 0.649203 0.699453 N\n0.747327 0.850798 0.199452 N\n0.252672 0.350796 0.300547 N\n0.246192 0.749099 0.513373 O\n0.948416 0.614803 0.764678 O\n0.561622 0.574586 0.754970 O\n0.438380 0.074587 0.745032 O\n0.051583 0.114803 0.735323 O\n0.743171 0.765729 0.572693 O\n0.753808 0.250900 0.486627 O\n0.246191 0.750901 0.013374 O\n0.948417 0.885197 0.264679 O\n0.561620 0.925412 0.254969 O\n0.438378 0.425415 0.245030 O\n0.051584 0.385197 0.235323 O\n0.743172 0.734271 0.072692 O\n0.256828 0.265728 0.927308 O\n0.256829 0.234272 0.427308 O\n0.753809 0.249098 0.986628 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"H",
"N",
"O"
],
"chemical_system": "H-Mg-N-O",
"density": 2.1265907070107506,
"density_atomic": 0.10420627278836056,
"volume": 287.8905386140141,
"volume_molar": 5.779057823352694,
"formula_full": "Mg2 H8 N4 O16",
"formula_reduced": "MgH4(NO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.1668702366666666,
"spacegroup": 14
},
{
"id": "jvasp-18077",
"created_at": "2022-09-04T14:38:08.197483Z",
"updated_at": "2022-09-04T14:38:08.197516Z",
"structure_string": "Pr1 Cr2 Si2 C1\n1.0\n4.004877 0.000000 0.000000\n0.000000 4.004877 0.000000\n0.000000 0.000000 5.417493\nPr Cr Si C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.765332 Si\n0.500000 0.500000 0.234667 Si\n0.000000 0.000000 0.500000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Pr",
"Cr",
"Si",
"C"
],
"chemical_system": "C-Cr-Pr-Si",
"density": 5.983149425499263,
"density_atomic": 0.06905172414200972,
"volume": 86.89138576265785,
"volume_molar": 8.721202598236426,
"formula_full": "Pr1 Cr2 Si2 C1",
"formula_reduced": "PrCr2Si2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.290735308333334,
"spacegroup": 123
},
{
"id": "jvasp-20453",
"created_at": "2022-09-04T14:38:18.580229Z",
"updated_at": "2022-09-04T14:38:18.580252Z",
"structure_string": "Mg2 Fe2 P8 O24\n1.0\n7.230702 0.026748 -0.011896\n-2.441412 6.806076 0.011012\n-3.284442 -2.791517 8.758685\nMg Fe P O\n2 2 8 24\ndirect\n0.198336 0.948011 0.249857 Mg\n0.802103 0.051788 0.749855 Mg\n0.000222 0.999902 0.499857 Fe\n0.000219 0.499900 0.999855 Fe\n0.295468 0.248044 0.021300 P\n0.273516 0.726093 0.521299 P\n0.704975 0.751759 0.978415 P\n0.726920 0.273703 0.478414 P\n0.490772 0.297047 0.800447 P\n0.003663 0.309937 0.300447 P\n0.509669 0.702756 0.199267 P\n0.996768 0.689858 0.699262 P\n0.303189 0.722203 0.186523 O\n0.510412 0.841934 0.593973 O\n0.748144 0.915981 0.905739 O\n0.865467 0.192523 0.584691 O\n0.108014 0.280318 0.915026 O\n0.134973 0.807280 0.415025 O\n0.892428 0.719485 0.084689 O\n0.964575 0.883597 0.686517 O\n0.697249 0.277594 0.813189 O\n0.035863 0.116202 0.313194 O\n0.046067 0.650359 0.849642 O\n0.218899 0.494754 0.432483 O\n0.954363 0.349436 0.150067 O\n0.699545 0.803832 0.349645 O\n0.781533 0.505045 0.567226 O\n0.437989 0.213841 0.932481 O\n0.252299 0.083821 0.093974 O\n0.562452 0.785962 0.067232 O\n0.187679 0.687423 0.651774 O\n0.535831 0.535448 0.847940 O\n0.812755 0.312371 0.347937 O\n0.464614 0.464355 0.151775 O\n0.300895 0.195976 0.650067 O\n0.490025 0.157858 0.405742 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-O-P",
"density": 3.048247369868583,
"density_atomic": 0.08343282011315722,
"volume": 431.4848755103132,
"volume_molar": 7.217951822594953,
"formula_full": "Mg2 Fe2 P8 O24",
"formula_reduced": "MgFe(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.907247697222222,
"spacegroup": 15
},
{
"id": "jvasp-55719",
"created_at": "2022-09-04T14:38:08.188679Z",
"updated_at": "2022-09-04T14:38:08.188707Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 5.584224 0.020164\n4.977108 0.000000 0.000000\n0.000000 -2.508775 -8.043456\nLi H Se O\n4 4 2 10\ndirect\n0.560117 0.410474 0.898090 Li\n0.682387 0.900957 0.503941 Li\n0.439883 0.910475 0.101911 Li\n0.317614 0.400957 0.496060 Li\n0.994778 0.774211 0.045570 H\n0.041797 0.015429 0.180415 H\n0.005223 0.274210 0.954431 H\n0.958204 0.515430 0.819586 H\n0.721401 0.401759 0.293531 Se\n0.278599 0.901759 0.706470 Se\n0.313051 0.236305 0.709264 O\n0.381833 0.776358 0.554850 O\n0.618167 0.276358 0.445151 O\n0.909169 0.440097 0.913846 O\n0.545036 0.281218 0.110651 O\n0.982126 0.811035 0.677928 O\n0.017875 0.311035 0.322073 O\n0.454965 0.781218 0.889350 O\n0.090831 0.940097 0.086155 O\n0.686950 0.736305 0.290737 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-Li-O-Se",
"density": 2.600540742482707,
"density_atomic": 0.08956468591987723,
"volume": 223.3022959282367,
"volume_molar": 6.723789290555081,
"formula_full": "Li4 H4 Se2 O10",
"formula_reduced": "Li2H2SeO5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.2554080866666664,
"spacegroup": 4
},
{
"id": "jvasp-46814",
"created_at": "2022-09-04T14:38:08.166721Z",
"updated_at": "2022-09-04T14:38:08.166737Z",
"structure_string": "Li6 Cu2 Sb2 O10\n1.0\n5.182487 -0.033228 -0.040112\n-1.327209 5.329599 0.057405\n-1.781640 -2.419657 7.188305\nLi Cu Sb O\n6 2 2 10\ndirect\n0.222800 0.877362 0.362612 Li\n0.415737 0.299051 0.812380 Li\n0.497788 0.469655 0.491548 Li\n0.286593 0.131585 0.104828 Li\n0.597596 0.696680 0.197652 Li\n0.776195 0.109313 0.615626 Li\n0.005674 0.498227 -0.000453 Cu\n0.708811 0.892160 0.904530 Cu\n0.885207 0.294654 0.297107 Sb\n0.108890 0.703580 0.700357 Sb\n0.664832 0.346172 0.069965 O\n0.054651 0.036716 0.827476 O\n0.346688 0.679623 0.939424 O\n0.146010 0.344672 0.553480 O\n0.223338 0.501961 0.240274 O\n0.462423 0.892009 0.668892 O\n0.552729 0.118273 0.352751 O\n0.788963 0.479047 0.756036 O\n0.866727 0.664044 0.445597 O\n0.933289 0.957368 0.166362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-Li-O-Sb",
"density": 4.788544436342946,
"density_atomic": 0.10078527865743632,
"volume": 198.44167984075247,
"volume_molar": 5.975218643259329,
"formula_full": "Li6 Cu2 Sb2 O10",
"formula_reduced": "Li3CuSbO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.6612994049999998,
"spacegroup": 1
},
{
"id": "jvasp-44706",
"created_at": "2022-09-04T14:38:06.526902Z",
"updated_at": "2022-09-04T14:38:06.526926Z",
"structure_string": "Li4 Fe1 Co3 O8\n1.0\n5.072990 -0.001926 -0.011594\n0.028600 5.368703 0.018712\n-0.010798 0.051525 6.354896\nLi Fe Co O\n4 1 3 8\ndirect\n0.997796 0.085481 0.623665 Li\n0.498228 0.412968 0.124629 Li\n0.999062 0.585894 0.875516 Li\n0.497474 0.914924 0.377046 Li\n0.500709 0.918593 0.874940 Fe\n-0.000244 0.081635 0.130200 Co\n0.502564 0.417829 0.624681 Co\n0.002795 0.582243 0.372232 Co\n0.373190 0.067001 0.117616 O\n0.385661 0.088090 0.629833 O\n0.891298 0.410409 0.135923 O\n0.864655 0.439545 0.612436 O\n0.366430 0.563752 0.384212 O\n0.388012 0.588847 0.865761 O\n0.888375 0.909358 0.368526 O\n0.870391 0.933411 0.882791 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 3.726523300157738,
"density_atomic": 0.09244667012387632,
"volume": 173.07275620160667,
"volume_molar": 6.51417812229524,
"formula_full": "Li4 Fe1 Co3 O8",
"formula_reduced": "Li4FeCo3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.6643810125,
"spacegroup": 1
},
{
"id": "jvasp-28625",
"created_at": "2022-09-04T14:38:06.542236Z",
"updated_at": "2022-09-04T14:38:06.542257Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258900 0.000000 0.000000\n-1.629450 2.822280 0.000044\n0.000000 0.000560 34.764197\nMo W Se S\n2 2 4 4\ndirect\n0.333362 0.666722 0.094965 Mo\n0.666638 0.333278 0.656492 Mo\n0.333341 0.666681 0.471796 W\n0.666659 0.333319 0.279662 W\n0.333309 0.666618 0.328804 Se\n0.666692 0.333382 0.422654 Se\n0.666654 0.333308 0.520927 Se\n0.333346 0.666692 0.230530 Se\n0.333306 0.666614 0.700910 S\n0.666694 0.333386 0.050548 S\n0.666693 0.333387 0.139438 S\n0.333307 0.666613 0.612020 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.212335703483656,
"density_atomic": 0.037529943573241596,
"volume": 319.74468537586233,
"volume_molar": 16.04622918829464,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.676125438888889,
"spacegroup": 164
}
]
}