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=4604",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4602",
"results": [
{
"id": "jvasp-119663",
"created_at": "2022-09-04T14:38:51.886806Z",
"updated_at": "2022-09-04T14:38:51.886831Z",
"structure_string": "Ca1 Mn2 Cu3 Ru2 O12\n1.0\n5.190365 -0.038025 3.656188\n0.048927 5.190273 3.656188\n0.012428 0.012221 7.339726\nCa Mn Cu Ru O\n1 2 3 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500001 Mn\n0.500000 0.499999 0.000001 Cu\n0.000000 -0.000000 0.500000 Cu\n0.500000 0.499999 0.500001 Cu\n0.000000 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000001 Ru\n0.871061 0.519361 0.310590 O\n0.519362 0.871060 0.310590 O\n0.175989 0.175988 0.519592 O\n0.822439 0.822437 0.870949 O\n0.177561 0.177561 0.129053 O\n0.702966 0.310820 0.817138 O\n0.310821 0.702965 0.817138 O\n0.297034 0.689179 0.182864 O\n0.128939 0.480637 0.689412 O\n0.689179 0.297033 0.182864 O\n0.824011 0.824010 0.480410 O\n0.480638 0.128938 0.689412 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"Cu",
"Ru",
"O"
],
"chemical_system": "Ca-Cu-Mn-O-Ru",
"density": 6.184483617286725,
"density_atomic": 0.10138170461078377,
"volume": 197.2742525565371,
"volume_molar": 5.940066586096282,
"formula_full": "Ca1 Mn2 Cu3 Ru2 O12",
"formula_reduced": "CaMn2Cu3(RuO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.750664462637931,
"spacegroup": 12
},
{
"id": "jvasp-119665",
"created_at": "2022-09-04T14:38:52.161963Z",
"updated_at": "2022-09-04T14:38:52.161990Z",
"structure_string": "Ba4 Ca1 Cu2 C1 O9\n1.0\n5.802183 0.005524 0.000000\n-0.180280 5.799384 0.000000\n-0.000000 -0.000000 8.233765\nBa Ca Cu C O\n4 1 2 1 9\ndirect\n0.506918 0.987822 0.766246 Ba\n0.012177 0.493081 0.766246 Ba\n0.506918 0.987822 0.233754 Ba\n0.012177 0.493081 0.233754 Ba\n0.005551 -0.005551 0.000000 Ca\n0.508565 0.491434 -0.000000 Cu\n0.992702 0.007297 0.500000 Cu\n0.484494 0.515505 0.500000 C\n0.560196 0.439803 0.638147 O\n0.281748 0.264657 -0.000000 O\n0.735342 0.718251 -0.000000 O\n0.996865 0.003134 0.719383 O\n0.731984 0.268015 -0.000000 O\n0.996865 0.003134 0.280618 O\n0.560196 0.439803 0.361853 O\n0.283049 0.716950 -0.000000 O\n0.327349 0.672650 0.500000 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"C",
"O"
],
"chemical_system": "Ba-C-Ca-Cu-O",
"density": 5.2290357551470015,
"density_atomic": 0.06135702760690742,
"volume": 277.06687665694847,
"volume_molar": 9.814916065657071,
"formula_full": "Ba4 Ca1 Cu2 C1 O9",
"formula_reduced": "Ba4CaCu2CO9",
"formula_anonymous": "ABC2D4E9",
"energy_above_hull": 1.740800394117647,
"spacegroup": 38
},
{
"id": "jvasp-119163",
"created_at": "2022-09-04T14:38:51.770319Z",
"updated_at": "2022-09-04T14:38:51.770346Z",
"structure_string": "Na2 Ca2 Ga2 Si4 O14\n1.0\n7.745355 -0.000000 0.000000\n0.000000 5.069019 0.130716\n0.000000 -0.014432 7.775180\nNa Ca Ga Si O\n2 2 2 4 14\ndirect\n0.661972 0.494153 0.930045 Na\n0.161972 0.505847 0.069956 Na\n0.343322 0.491175 0.595134 Ca\n0.843322 0.508826 0.404866 Ca\n0.499653 0.000942 0.253704 Ga\n-0.000347 0.999058 0.746297 Ga\n0.859646 0.047949 0.112351 Si\n0.359646 0.952051 0.887650 Si\n0.141740 0.057914 0.393677 Si\n0.641739 0.942087 0.606324 Si\n0.828099 0.796731 0.647759 O\n0.328099 0.203269 0.352241 O\n0.184750 0.795870 0.819323 O\n0.684750 0.204131 0.180677 O\n0.902198 0.182362 0.922728 O\n0.402198 0.817639 0.077273 O\n0.352195 0.266230 0.870360 O\n0.573839 0.779145 0.434446 O\n0.642037 0.255867 0.583761 O\n0.142038 0.744133 0.416239 O\n0.510544 0.823178 0.758972 O\n0.852195 0.733771 0.129641 O\n0.073839 0.220855 0.565554 O\n0.010545 0.176823 0.241028 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Ga",
"Si",
"O"
],
"chemical_system": "Ca-Ga-Na-O-Si",
"density": 3.274069375012503,
"density_atomic": 0.07861669013999925,
"volume": 305.2786877348972,
"volume_molar": 7.660130119031818,
"formula_full": "Na2 Ca2 Ga2 Si4 O14",
"formula_reduced": "NaCaGaSi2O7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 1.9599061204166663,
"spacegroup": 4
},
{
"id": "jvasp-119636",
"created_at": "2022-09-04T14:38:51.758653Z",
"updated_at": "2022-09-04T14:38:51.758673Z",
"structure_string": "Rb2 Mn1 Fe1 C6 N6\n1.0\n6.112812 -0.000000 3.529233\n2.037604 5.763214 3.529233\n-0.000000 -0.000000 7.058467\nRb Mn Fe C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.811517 0.188482 0.188482 C\n0.188482 0.811517 0.811518 C\n0.188482 0.811517 0.188483 C\n0.811517 0.188482 0.811517 C\n0.188483 0.188482 0.811518 C\n0.811517 0.811517 0.188482 C\n0.693532 0.306468 0.306468 N\n0.306468 0.693532 0.693532 N\n0.306468 0.693532 0.306468 N\n0.693532 0.306468 0.693532 N\n0.306468 0.306468 0.693532 N\n0.693532 0.693532 0.306468 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Mn",
"Fe",
"C",
"N"
],
"chemical_system": "C-Fe-Mn-N-Rb",
"density": 2.923691469401299,
"density_atomic": 0.064343370773936,
"volume": 248.6658657690534,
"volume_molar": 9.359380286678157,
"formula_full": "Rb2 Mn1 Fe1 C6 N6",
"formula_reduced": "Rb2MnFe(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.673349515086207,
"spacegroup": 225
},
{
"id": "jvasp-117223",
"created_at": "2022-09-04T14:38:48.771121Z",
"updated_at": "2022-09-04T14:38:48.771148Z",
"structure_string": "Ca2 Ti2 Si1 Ge1 O10\n1.0\n5.364429 -0.013955 1.342773\n-1.916062 5.010589 1.342773\n-0.012341 -0.017882 7.120537\nCa Ti Si Ge O\n2 2 1 1 10\ndirect\n0.827799 0.172200 0.500000 Ca\n0.171805 0.828195 -0.000000 Ca\n0.499202 0.504029 0.746351 Ti\n0.495971 0.500798 0.253649 Ti\n0.179831 0.820170 0.500000 Si\n0.817018 0.182981 -0.000000 Ge\n0.386150 0.812565 0.633838 O\n0.187435 0.613851 0.366162 O\n0.597249 0.181173 0.856292 O\n0.818827 0.402750 0.143708 O\n0.755239 0.868326 0.177024 O\n0.131674 0.244761 0.822976 O\n0.250708 0.120864 0.340359 O\n0.879136 0.749292 0.659640 O\n0.431998 0.568002 -0.000000 O\n0.569964 0.430036 0.500000 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Ti",
"Si",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Si-Ti",
"density": 3.7867243432595346,
"density_atomic": 0.08356826691973716,
"volume": 191.46023472482852,
"volume_molar": 7.206253021597233,
"formula_full": "Ca2 Ti2 Si1 Ge1 O10",
"formula_reduced": "Ca2Ti2SiGeO10",
"formula_anonymous": "ABC2D2E10",
"energy_above_hull": 2.525365441041666,
"spacegroup": 5
},
{
"id": "jvasp-119290",
"created_at": "2022-09-04T14:38:48.790093Z",
"updated_at": "2022-09-04T14:38:48.790132Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.871816 -0.000000 0.000000\n0.000000 3.871816 0.000000\n-0.000000 -0.000000 15.805256\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n-0.000000 0.500000 0.184118 Sr\n0.500000 0.000000 0.815882 Sr\n-0.000000 0.500000 0.413685 Sr\n0.500000 0.000000 0.586316 Sr\n0.500000 0.000000 0.305826 Mn\n-0.000000 0.500000 0.694175 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.092106 S\n-0.000000 0.500000 0.907895 S\n0.000000 0.000000 0.288499 O\n0.500000 0.500000 0.288499 O\n0.500000 0.500000 0.711501 O\n0.000000 0.000000 0.711501 O\n0.500000 0.000000 0.430423 O\n-0.000000 0.500000 0.569577 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.239292147491067,
"density_atomic": 0.06752879928978316,
"volume": 236.93594685935335,
"volume_molar": 8.917885144318163,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4510651014224138,
"spacegroup": 129
},
{
"id": "jvasp-120744",
"created_at": "2022-09-04T14:38:49.088078Z",
"updated_at": "2022-09-04T14:38:49.088088Z",
"structure_string": "Li4 Cr3 Co1 P4 O16\n1.0\n6.150023 -0.000000 0.000000\n0.000000 4.716065 0.035811\n-0.000000 0.004678 10.066731\nLi Cr Co P O\n4 3 1 4 16\ndirect\n0.255755 0.991452 0.004039 Li\n0.744245 0.991452 0.004039 Li\n0.741248 0.501505 0.493146 Li\n0.258751 0.501505 0.493146 Li\n0.500000 0.538429 0.782914 Cr\n-0.000000 0.457464 0.218891 Cr\n-0.000000 0.048601 0.717089 Cr\n0.500000 0.967629 0.278447 Co\n0.500000 0.084740 0.595559 P\n0.500000 0.418753 0.092437 P\n-0.000000 0.580165 0.906095 P\n-0.000000 0.916444 0.405783 P\n0.700615 0.219175 0.668089 O\n-0.000000 0.244687 0.398665 O\n-0.000000 0.253251 0.899687 O\n0.297133 0.283311 0.161957 O\n0.702866 0.283311 0.161957 O\n0.500000 0.294947 0.947836 O\n-0.000000 0.693534 0.051435 O\n0.201958 0.778323 0.338639 O\n0.201993 0.717735 0.837150 O\n0.500000 0.743892 0.090290 O\n0.500000 0.757213 0.602460 O\n0.798042 0.778323 0.338639 O\n0.299385 0.219175 0.668089 O\n-0.000000 0.809365 0.553359 O\n0.798006 0.717735 0.837150 O\n0.500000 0.207896 0.453004 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Co",
"P",
"O"
],
"chemical_system": "Co-Cr-Li-O-P",
"density": 3.540743701357682,
"density_atomic": 0.09589911028288808,
"volume": 291.9735117187654,
"volume_molar": 6.279662806292553,
"formula_full": "Li4 Cr3 Co1 P4 O16",
"formula_reduced": "Li4Cr3Co(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 3.1734332535714285,
"spacegroup": 6
},
{
"id": "jvasp-119494",
"created_at": "2022-09-04T14:38:51.524012Z",
"updated_at": "2022-09-04T14:38:51.524034Z",
"structure_string": "Li1 Cu1 Ru2 Rh2 O8\n1.0\n5.329562 0.010721 -2.959745\n-1.498484 4.753161 -3.510902\n-0.032176 -0.010721 6.096169\nLi Cu Ru Rh O\n1 1 2 2 8\ndirect\n0.379459 0.379458 0.000000 Li\n0.132460 0.632460 0.500000 Cu\n0.749838 0.026299 0.276461 Ru\n0.749838 0.473377 0.723540 Ru\n0.752175 0.999191 0.752985 Rh\n0.246207 0.999191 0.247016 Rh\n0.988218 0.767327 0.220891 O\n0.546437 0.767328 0.779111 O\n0.977764 0.735785 0.758023 O\n0.977764 0.219742 0.241979 O\n0.476760 0.230258 0.246502 O\n0.983757 0.230258 0.753499 O\n0.519660 0.253983 0.734323 O\n0.519661 0.785337 0.265678 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Li",
"Cu",
"Ru",
"Rh",
"O"
],
"chemical_system": "Cu-Li-O-Rh-Ru",
"density": 6.546306854538033,
"density_atomic": 0.09101067337627025,
"volume": 153.82811137018027,
"volume_molar": 6.616960996544158,
"formula_full": "Li1 Cu1 Ru2 Rh2 O8",
"formula_reduced": "LiCuRu2(RhO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.952075389285714,
"spacegroup": 44
},
{
"id": "jvasp-119173",
"created_at": "2022-09-04T14:38:52.728927Z",
"updated_at": "2022-09-04T14:38:52.728937Z",
"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.614473 0.000700 -0.041853\n-0.015657 5.790295 -0.000422\n-0.006631 0.000254 7.976423\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.502926 0.999391 0.497760 Li\n0.997613 0.497054 0.002012 Li\n0.512494 0.551436 0.749359 La\n0.988882 0.049080 0.749735 La\n0.487119 0.448802 0.251373 La\n0.015125 0.942111 0.247590 Nd\n0.998140 0.498954 0.498427 Sb\n0.501873 0.001012 0.001859 Sb\n0.305709 0.717554 0.053363 O\n0.807073 0.785374 0.549261 O\n0.789805 0.806684 0.955636 O\n0.284368 0.697539 0.451905 O\n0.212238 0.192678 0.050469 O\n0.409587 0.972042 0.758428 O\n0.602126 0.029789 0.243270 O\n0.091649 0.470512 0.741635 O\n0.186457 0.211618 0.446707 O\n0.907335 0.533446 0.255988 O\n0.708007 0.306924 0.545508 O\n0.691465 0.288002 0.949717 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"La",
"Nd",
"Sb",
"O"
],
"chemical_system": "La-Li-Nd-O-Sb",
"density": 6.470040534964601,
"density_atomic": 0.07712846250654753,
"volume": 259.30764532356875,
"volume_molar": 7.807935701413434,
"formula_full": "Li2 La3 Nd1 Sb2 O12",
"formula_reduced": "Li2La3Nd(SbO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.438656535,
"spacegroup": 1
},
{
"id": "jvasp-119613",
"created_at": "2022-09-04T14:38:52.149924Z",
"updated_at": "2022-09-04T14:38:52.149937Z",
"structure_string": "Tm1 H9 C5 N2 O8\n1.0\n6.358996 0.099236 1.768384\n2.407522 5.886469 1.768384\n0.116592 0.079608 6.485290\nTm H C N O\n1 9 5 2 8\ndirect\n0.545945 0.454056 -0.000001 Tm\n0.749011 0.805266 0.599649 H\n0.194734 0.250989 0.400349 H\n0.044633 0.703382 0.472588 H\n0.296618 0.955367 0.527411 H\n0.997273 -0.017703 0.176385 H\n0.017703 0.002728 0.823614 H\n0.353849 0.012615 0.113089 H\n-0.012616 0.646152 0.886910 H\n0.634951 0.365050 0.499999 H\n0.478587 0.521413 0.499999 C\n0.006877 0.519386 0.041793 C\n0.480614 0.993123 0.958206 C\n0.019428 0.158821 0.703847 C\n0.841179 0.980572 0.296151 C\n0.878848 0.815714 0.469508 N\n0.184287 0.121152 0.530491 N\n0.397947 0.612370 0.669929 O\n0.387631 0.602053 0.330070 O\n0.531627 0.816702 0.879365 O\n0.183299 0.468373 0.120634 O\n0.645976 0.126713 0.264133 O\n0.873288 0.354025 0.735865 O\n0.857092 0.436106 0.129414 O\n0.563894 0.142909 0.870584 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Tm",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Tm",
"density": 2.7326840757524438,
"density_atomic": 0.10440214485492412,
"volume": 239.45868195274798,
"volume_molar": 5.768215555694081,
"formula_full": "Tm1 H9 C5 N2 O8",
"formula_reduced": "TmH9C5(NO4)2",
"formula_anonymous": "AB2C5D8E9",
"energy_above_hull": 4.26438675,
"spacegroup": 5
},
{
"id": "jvasp-112787",
"created_at": "2022-09-04T14:38:44.201816Z",
"updated_at": "2022-09-04T14:38:44.201843Z",
"structure_string": "Ba4 Mn2 Ni2 Cl2 F14\n1.0\n5.862556 0.000000 0.000000\n-0.000000 7.358345 2.152924\n-0.000000 0.012015 8.940619\nBa Mn Ni Cl F\n4 2 2 2 14\ndirect\n0.250000 0.700565 0.070756 Ba\n0.750000 0.299436 0.929243 Ba\n0.750000 0.328405 0.410086 Ba\n0.250000 0.671596 0.589914 Ba\n0.250000 0.170187 0.732837 Mn\n0.750000 0.829815 0.267162 Mn\n0.750000 0.810133 0.826485 Ni\n0.250000 0.189868 0.173515 Ni\n0.250000 0.121695 0.459422 Cl\n0.750000 0.878306 0.540577 Cl\n0.998416 0.362754 0.653191 F\n0.501584 0.362754 0.653191 F\n0.750000 0.746975 0.065807 F\n-0.000917 0.010594 0.170500 F\n0.498416 0.637247 0.346808 F\n0.500917 0.010594 0.170500 F\n0.499083 0.989408 0.829499 F\n0.000917 0.989408 0.829499 F\n0.994278 0.622051 0.842189 F\n0.494277 0.377950 0.157811 F\n0.250000 0.253026 0.934192 F\n0.001584 0.637247 0.346808 F\n0.505723 0.622051 0.842189 F\n0.005723 0.377950 0.157811 F\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Ni",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F-Mn-Ni",
"density": 4.795762221661053,
"density_atomic": 0.06225113843305982,
"volume": 385.53511797712406,
"volume_molar": 9.673944784922698,
"formula_full": "Ba4 Mn2 Ni2 Cl2 F14",
"formula_reduced": "Ba2MnNiClF7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 0.1421556355316091,
"spacegroup": 11
},
{
"id": "jvasp-49154",
"created_at": "2022-09-04T14:38:31.292972Z",
"updated_at": "2022-09-04T14:38:31.292999Z",
"structure_string": "Ba3 Nb1 Ga3 Si2 O14\n1.0\n4.302892 -7.452827 0.000000\n4.302892 7.452827 -0.000000\n0.000000 -0.000000 5.261464\nBa Nb Ga Si O\n3 1 3 2 14\ndirect\n0.568625 0.568625 0.000000 Ba\n-0.000000 0.431375 0.000000 Ba\n0.431375 -0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Nb\n0.256300 0.256300 0.500000 Ga\n-0.000000 0.743700 0.500000 Ga\n0.743700 -0.000000 0.500000 Ga\n0.666667 0.333333 0.520678 Si\n0.333333 0.666667 0.479321 Si\n0.474744 0.298964 0.648099 O\n0.666667 0.333333 0.214568 O\n0.333333 0.666667 0.785431 O\n0.175781 0.701036 0.351900 O\n0.525255 0.824219 0.351900 O\n0.298964 0.474744 0.351900 O\n0.111484 0.892686 0.773096 O\n0.892686 0.111484 0.226903 O\n0.888516 0.781202 0.226903 O\n0.701036 0.175781 0.648099 O\n0.781202 0.888516 0.773096 O\n0.107314 0.218798 0.773096 O\n0.218798 0.107314 0.226903 O\n0.824219 0.525255 0.648099 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Nb",
"Ga",
"Si",
"O"
],
"chemical_system": "Ba-Ga-Nb-O-Si",
"density": 4.892299796295231,
"density_atomic": 0.06815688778568538,
"volume": 337.45672297012607,
"volume_molar": 8.835703852758368,
"formula_full": "Ba3 Nb1 Ga3 Si2 O14",
"formula_reduced": "Ba3NbGa3(SiO7)2",
"formula_anonymous": "AB2C3D3E14",
"energy_above_hull": 2.284294368913044,
"spacegroup": 150
}
]
}