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=4041",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4039",
"results": [
{
"id": "jvasp-120555",
"created_at": "2022-09-04T14:38:45.591550Z",
"updated_at": "2022-09-04T14:38:45.591577Z",
"structure_string": "Ti4 Cr4 Cu4 S16\n1.0\n5.862843 -0.000000 0.000000\n0.000000 6.826013 0.000000\n0.000000 -0.000000 12.325099\nTi Cr Cu S\n4 4 4 16\ndirect\n0.500000 0.250000 0.250000 Ti\n0.500000 0.750000 0.750000 Ti\n0.500000 0.750000 0.250000 Ti\n0.500000 0.250000 0.750000 Ti\n0.998150 0.000000 0.247059 Cr\n0.998150 0.000000 0.752941 Cr\n0.001849 0.500000 0.252941 Cr\n0.001849 0.500000 0.747059 Cr\n0.967038 0.500000 -0.000000 Cu\n0.032961 0.000000 0.500000 Cu\n0.639895 0.500000 0.500000 Cu\n0.360105 0.000000 -0.000000 Cu\n0.327198 0.000000 0.636366 S\n0.327198 0.000000 0.363634 S\n0.334967 0.500000 0.635320 S\n0.334967 0.500000 0.364680 S\n0.665032 0.000000 0.864680 S\n0.665032 0.000000 0.135320 S\n0.838921 0.252568 0.634437 S\n0.838921 0.747431 0.634437 S\n0.161079 0.752568 0.865563 S\n0.161079 0.247431 0.134437 S\n0.161079 0.247431 0.865563 S\n0.161079 0.752568 0.134437 S\n0.672802 0.500000 0.136366 S\n0.838921 0.252568 0.365563 S\n0.838921 0.747431 0.365563 S\n0.672802 0.500000 0.863634 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Ti",
"density": 3.927658486510001,
"density_atomic": 0.056766515855817476,
"volume": 493.2485212077806,
"volume_molar": 10.608614372768216,
"formula_full": "Ti4 Cr4 Cu4 S16",
"formula_reduced": "TiCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.448818026190477,
"spacegroup": 59
},
{
"id": "jvasp-116673",
"created_at": "2022-09-04T14:38:32.886735Z",
"updated_at": "2022-09-04T14:38:32.886761Z",
"structure_string": "Mo6 Pb1 Se4 S4\n1.0\n6.695124 -0.071110 0.243455\n0.049759 6.777495 0.127744\n0.088645 -0.076823 6.798069\nMo Pb Se S\n6 1 4 4\ndirect\n0.567356 0.235314 0.422010 Mo\n0.421457 0.554078 0.242030 Mo\n0.235742 0.413384 0.569297 Mo\n0.436838 0.760401 0.583171 Mo\n0.576477 0.434621 0.765622 Mo\n0.768689 0.578391 0.436113 Mo\n-0.005789 0.049748 0.958264 Pb\n0.630981 0.877433 0.248481 Se\n0.240648 0.617504 0.892977 Se\n0.242621 0.221556 0.251483 Se\n0.758268 0.759694 0.760840 Se\n0.132329 0.722564 0.396798 S\n0.386046 0.121731 0.734477 S\n0.738270 0.386111 0.125880 S\n0.870058 0.267479 0.612562 S\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Mo",
"Pb",
"Se",
"S"
],
"chemical_system": "Mo-Pb-S-Se",
"density": 6.606037465525502,
"density_atomic": 0.048636226095378994,
"volume": 308.41208712583835,
"volume_molar": 12.38200667171455,
"formula_full": "Mo6 Pb1 Se4 S4",
"formula_reduced": "Mo6Pb(SeS)4",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.043158645777777,
"spacegroup": 1
},
{
"id": "jvasp-112174",
"created_at": "2022-09-04T14:38:45.726699Z",
"updated_at": "2022-09-04T14:38:45.726717Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.686930 0.008144 -0.492205\n-1.391092 4.939094 -1.370923\n0.162343 0.011080 9.036416\nCd H C O\n1 6 5 4\ndirect\n0.730786 0.141760 0.402726 Cd\n0.282972 0.095006 0.801757 H\n0.295257 0.381934 0.590736 H\n0.301371 0.651437 0.843263 H\n0.796392 0.969917 0.723238 H\n0.820137 0.520814 0.774098 H\n0.963441 0.001179 0.920933 H\n0.234983 0.685206 0.490732 C\n0.153203 0.542298 0.596252 C\n0.071113 0.659321 0.757660 C\n0.752237 0.488928 0.067531 C\n0.025261 0.947594 0.802479 C\n0.336400 0.572564 0.349812 O\n0.237369 0.933608 0.500747 O\n0.754099 0.710079 0.119920 O\n0.251517 0.274138 0.297266 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.4389199424468146,
"density_atomic": 0.09690345105882518,
"volume": 165.11279861732902,
"volume_molar": 6.2145782159443055,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.143127109375,
"spacegroup": 1
},
{
"id": "jvasp-112636",
"created_at": "2022-09-04T14:38:41.565484Z",
"updated_at": "2022-09-04T14:38:41.565512Z",
"structure_string": "Sr2 Dy2 Co2 O8\n1.0\n6.558222 0.037382 0.000000\n-4.454400 4.813521 0.000000\n-0.000000 -0.000000 5.327269\nSr Dy Co O\n2 2 2 8\ndirect\n0.603323 0.396676 0.250000 Sr\n0.396676 0.603323 0.750000 Sr\n0.117575 0.882425 0.750000 Dy\n0.882425 0.117575 0.250000 Dy\n0.247839 0.752160 0.250000 Co\n0.752160 0.247839 0.750000 Co\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.928590 0.071409 0.750000 O\n0.406672 0.593328 0.250000 O\n0.071409 0.928591 0.250000 O\n0.593328 0.406672 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Dy",
"Co",
"O"
],
"chemical_system": "Co-Dy-O-Sr",
"density": 7.3283916712240345,
"density_atomic": 0.08281130815615027,
"volume": 169.0590368842065,
"volume_molar": 7.272123691905167,
"formula_full": "Sr2 Dy2 Co2 O8",
"formula_reduced": "SrDyCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8687182442857144,
"spacegroup": 63
},
{
"id": "jvasp-112643",
"created_at": "2022-09-04T14:38:41.584226Z",
"updated_at": "2022-09-04T14:38:41.584255Z",
"structure_string": "Sr6 Zr2 Ti4 O18\n1.0\n5.523316 -0.017177 1.254556\n-0.355629 5.511882 1.254556\n-0.001124 -0.001195 12.567586\nSr Zr Ti O\n6 2 4 18\ndirect\n0.419419 0.920587 0.160613 Sr\n0.079413 0.580582 0.839387 Sr\n0.751601 0.248400 0.500000 Sr\n0.580582 0.079413 0.839387 Sr\n0.248401 0.751600 0.500000 Sr\n0.920588 0.419418 0.160613 Sr\n0.334388 0.334387 0.333661 Zr\n0.665613 0.665613 0.666340 Zr\n0.000000 0.000000 0.000000 Ti\n0.165307 0.165307 0.671127 Ti\n0.834694 0.834693 0.328873 Ti\n0.500000 0.500000 0.000000 Ti\n0.750382 0.249618 0.000000 O\n0.921625 0.406907 0.668686 O\n0.593093 0.078376 0.331315 O\n0.249619 0.750381 0.000000 O\n0.063092 0.063092 0.359056 O\n0.392748 0.392748 0.698308 O\n0.739053 0.739052 0.022877 O\n0.607253 0.607252 0.301693 O\n0.955541 0.955540 0.163457 O\n0.260948 0.260948 0.977124 O\n0.709886 0.709886 0.494006 O\n0.044460 0.044460 0.836544 O\n0.381486 0.381485 0.160053 O\n0.078376 0.593093 0.331315 O\n0.290115 0.290114 0.505995 O\n0.618515 0.618515 0.839947 O\n0.936909 0.936908 0.640944 O\n0.406908 0.921624 0.668686 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.1551953496551715,
"density_atomic": 0.07842199387058171,
"volume": 382.54574411240316,
"volume_molar": 7.679147727279444,
"formula_full": "Sr6 Zr2 Ti4 O18",
"formula_reduced": "Sr3ZrTi2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.416188773111111,
"spacegroup": 12
},
{
"id": "jvasp-112002",
"created_at": "2022-09-04T14:38:41.585190Z",
"updated_at": "2022-09-04T14:38:41.585210Z",
"structure_string": "H10 C6 N2 O2\n1.0\n4.228194 -0.038838 -0.638672\n-1.206288 5.858627 -1.742040\n-0.056279 0.128345 6.230832\nH C N O\n10 6 2 2\ndirect\n0.887997 0.127571 0.032579 H\n0.250353 0.601263 0.253023 H\n0.720912 0.058858 0.473432 H\n0.720913 0.558862 0.973437 H\n0.720934 0.821749 0.710769 H\n0.250341 0.101275 0.753035 H\n0.888185 0.880606 0.279464 H\n0.888167 0.380607 0.779459 H\n0.888014 0.627578 0.532578 H\n0.720936 0.321754 0.210773 H\n0.956921 0.283374 0.176462 C\n0.956927 0.783378 0.676465 C\n0.956959 0.524565 0.935189 C\n0.956965 0.024567 0.435192 C\n0.124168 0.730997 0.882832 C\n0.124169 0.230998 0.382831 C\n0.152431 0.462816 0.114668 N\n0.152434 0.962826 0.614677 N\n0.372888 0.857352 0.009151 O\n0.372888 0.357355 0.509146 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5240735300306325,
"density_atomic": 0.12912853826022352,
"volume": 154.88442965020968,
"volume_molar": 4.663679184429401,
"formula_full": "H10 C6 N2 O2",
"formula_reduced": "H5C3NO",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 4.593955674999999,
"spacegroup": 6
},
{
"id": "jvasp-116590",
"created_at": "2022-09-04T14:38:42.293935Z",
"updated_at": "2022-09-04T14:38:42.293961Z",
"structure_string": "Sr2 Li2 Cr2 F12\n1.0\n5.182048 -0.000000 0.000000\n-2.591024 4.487785 0.000000\n-0.000000 -0.000000 10.421408\nSr Li Cr F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666667 0.750000 Li\n0.666667 0.333334 0.250000 Li\n0.666667 0.333334 0.750000 Cr\n0.333334 0.666667 0.250000 Cr\n0.015061 0.639870 0.145092 F\n0.624810 0.639870 0.354908 F\n0.984941 0.360132 0.854908 F\n0.375192 0.360132 0.645092 F\n0.360132 0.375192 0.145092 F\n0.984941 0.624809 0.645092 F\n0.639870 0.624809 0.854908 F\n0.375192 0.015060 0.854908 F\n0.360133 0.984941 0.354908 F\n0.639869 0.015060 0.645092 F\n0.015061 0.375192 0.354908 F\n0.624810 0.984941 0.145092 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Cr",
"F"
],
"chemical_system": "Cr-F-Li-Sr",
"density": 3.570311941718632,
"density_atomic": 0.07426986458833994,
"volume": 242.359402427481,
"volume_molar": 8.108457977376535,
"formula_full": "Sr2 Li2 Cr2 F12",
"formula_reduced": "SrLiCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.1564828227777781,
"spacegroup": 163
},
{
"id": "jvasp-112108",
"created_at": "2022-09-04T14:38:41.589187Z",
"updated_at": "2022-09-04T14:38:41.589217Z",
"structure_string": "Ti1 H16 C9 O4\n1.0\n4.556527 -0.102920 -1.052477\n-2.181343 6.590066 -0.640428\n-0.214904 0.274289 8.627007\nTi H C O\n1 16 9 4\ndirect\n0.154655 0.655174 0.382808 Ti\n0.966116 0.221776 0.969341 H\n0.044569 0.264187 0.404342 H\n0.728853 0.958629 0.439794 H\n0.486781 0.004233 0.560280 H\n0.397931 0.038052 0.351003 H\n0.797887 0.060202 0.783787 H\n0.930784 0.303204 0.196816 H\n0.334085 0.333441 0.294472 H\n0.398563 0.230873 0.701285 H\n0.989038 0.377810 0.690409 H\n0.035819 0.563027 0.847843 H\n0.642809 0.719587 0.911865 H\n0.932667 0.904244 0.062597 H\n0.486480 0.072954 0.056804 H\n0.295889 0.919032 0.866999 H\n0.535303 0.381734 0.892645 H\n0.526237 0.992497 0.954963 C\n0.677840 0.833765 0.014432 C\n0.858462 0.456817 0.744471 C\n0.609070 0.304266 0.802814 C\n0.567879 0.720187 0.144033 C\n0.751661 0.582932 0.619793 C\n0.118476 0.351973 0.310645 C\n0.490833 0.948934 0.439831 C\n0.741370 0.144209 0.877508 C\n0.961992 0.684527 0.554690 O\n0.758503 0.644672 0.234738 O\n0.302174 0.700870 0.162479 O\n0.477147 0.588126 0.583403 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.5251910935858721,
"density_atomic": 0.1167139090795561,
"volume": 257.03877315557133,
"volume_molar": 5.1597455757352,
"formula_full": "Ti1 H16 C9 O4",
"formula_reduced": "TiH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.656605077777778,
"spacegroup": 1
},
{
"id": "jvasp-27156",
"created_at": "2022-09-04T14:38:32.885815Z",
"updated_at": "2022-09-04T14:38:32.885831Z",
"structure_string": "Rb2 Ta2 Ge6 O18\n1.0\n3.558410 -6.163348 -0.000000\n3.558410 6.163348 0.000000\n0.000000 0.000000 10.294941\nRb Ta Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Ta\n0.333333 0.666667 0.500000 Ta\n0.074978 0.785111 0.750000 Ge\n0.710134 0.925022 0.750000 Ge\n0.214889 0.289866 0.750000 Ge\n0.214889 0.925022 0.250000 Ge\n0.074978 0.289866 0.250000 Ge\n0.710134 0.785111 0.250000 Ge\n0.559772 0.659570 0.109686 O\n0.099798 0.659570 0.609686 O\n0.340430 0.440227 0.609686 O\n0.099798 0.659570 0.890314 O\n0.340430 0.440227 0.890314 O\n0.559772 0.900202 0.890314 O\n0.340429 0.900202 0.109686 O\n0.559772 0.659570 0.390314 O\n0.801646 0.732789 0.750000 O\n0.099798 0.440228 0.109686 O\n0.267211 0.068858 0.750000 O\n0.931142 0.198353 0.750000 O\n0.099798 0.440228 0.390314 O\n0.801647 0.068858 0.250000 O\n0.931142 0.732789 0.250000 O\n0.267211 0.198353 0.250000 O\n0.340429 0.900202 0.390314 O\n0.559772 0.900202 0.609686 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Ge",
"O"
],
"chemical_system": "Ge-O-Rb-Ta",
"density": 4.6210487363949735,
"density_atomic": 0.06200568328906683,
"volume": 451.5715094931807,
"volume_molar": 9.712239976334324,
"formula_full": "Rb2 Ta2 Ge6 O18",
"formula_reduced": "RbTa(GeO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.4847670392857144,
"spacegroup": 188
},
{
"id": "jvasp-111869",
"created_at": "2022-09-04T14:38:42.297786Z",
"updated_at": "2022-09-04T14:38:42.297811Z",
"structure_string": "Li4 V6 Co2 O16\n1.0\n5.759242 0.001788 -0.000616\n2.878090 4.835392 -1.663302\n0.000783 0.000896 9.975496\nLi V Co O\n4 6 2 16\ndirect\n0.320100 0.359843 0.559975 Li\n0.820075 0.359838 0.059975 Li\n0.744943 0.510065 0.751678 Li\n0.244988 0.510065 0.251673 Li\n0.234117 0.001220 0.745051 V\n0.499310 0.001196 0.010414 V\n0.734123 0.001179 0.245050 V\n0.264752 0.001211 0.245136 V\n0.764784 0.001173 0.745133 V\n0.999311 0.001199 0.510414 V\n0.187178 0.625668 0.937614 Co\n0.687159 0.625669 0.437613 Co\n0.120766 0.223775 0.626403 O\n0.107609 0.784780 0.140907 O\n0.607622 0.784781 0.640907 O\n0.872765 0.784779 0.375738 O\n0.372768 0.784785 0.875736 O\n0.620761 0.223757 0.126403 O\n0.388122 0.223776 0.359061 O\n0.622118 0.755724 0.125955 O\n0.155455 0.223779 0.126421 O\n0.655472 0.223768 0.626424 O\n0.890257 0.219463 0.369912 O\n0.390273 0.219463 0.869912 O\n0.842442 0.784769 0.875742 O\n0.122153 0.755727 0.625955 O\n0.888132 0.223774 0.859061 O\n0.342430 0.784780 0.375741 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.2283364160707535,
"density_atomic": 0.10080761945683094,
"volume": 277.7567821844112,
"volume_molar": 5.973894426282802,
"formula_full": "Li4 V6 Co2 O16",
"formula_reduced": "Li2V3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1076322499999995,
"spacegroup": 160
},
{
"id": "jvasp-38129",
"created_at": "2022-09-04T14:38:32.938896Z",
"updated_at": "2022-09-04T14:38:32.938924Z",
"structure_string": "Sr6 Sn2 N1 F1\n1.0\n-0.000000 5.207956 5.207956\n5.207956 0.000000 5.207956\n5.207956 5.207956 -0.000000\nSr Sn N F\n6 2 1 1\ndirect\n0.242398 0.757602 0.757602 Sr\n0.242398 0.757602 0.242398 Sr\n0.757602 0.242398 0.757602 Sr\n0.757602 0.757602 0.242398 Sr\n0.242398 0.242398 0.757602 Sr\n0.757602 0.242398 0.242398 Sr\n0.250000 0.250000 0.250000 Sn\n0.750001 0.750001 0.750001 Sn\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sn",
"N",
"F"
],
"chemical_system": "F-N-Sn-Sr",
"density": 4.679607311930933,
"density_atomic": 0.035397132797075966,
"volume": 282.5087573428,
"volume_molar": 17.01307502651025,
"formula_full": "Sr6 Sn2 N1 F1",
"formula_reduced": "Sr6Sn2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1624494792499999,
"spacegroup": 225
},
{
"id": "jvasp-57528",
"created_at": "2022-09-04T14:38:32.238525Z",
"updated_at": "2022-09-04T14:38:32.238550Z",
"structure_string": "Ba6 Cu4 Cl4 O8\n1.0\n6.033761 0.000000 0.000000\n0.000000 6.604266 -0.000000\n0.000000 0.000000 10.676687\nBa Cu Cl O\n6 4 4 8\ndirect\n0.500000 0.750000 0.449530 Ba\n0.000000 0.750000 0.211363 Ba\n0.000000 0.250000 0.788637 Ba\n0.500000 0.250000 0.550470 Ba\n0.500000 0.250000 0.200396 Ba\n0.500000 0.750000 0.799604 Ba\n0.000000 0.250000 0.331567 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.750000 0.668434 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.250000 0.085186 Cl\n0.500000 0.750000 0.115838 Cl\n0.000000 0.750000 0.914814 Cl\n0.500000 0.250000 0.884162 Cl\n0.776852 0.030432 0.360494 O\n0.223147 0.469568 0.360494 O\n0.223147 0.030432 0.360494 O\n0.776852 0.969569 0.639506 O\n0.223147 0.969569 0.639506 O\n0.776852 0.469568 0.360494 O\n0.223147 0.530432 0.639506 O\n0.776852 0.530432 0.639506 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Cu-O",
"density": 5.261077990888842,
"density_atomic": 0.051709877529222105,
"volume": 425.45063054089496,
"volume_molar": 11.646016288854655,
"formula_full": "Ba6 Cu4 Cl4 O8",
"formula_reduced": "Ba3Cu2(ClO2)2",
"formula_anonymous": "A2B2C3D4",
"energy_above_hull": 0.7201391768181817,
"spacegroup": 51
}
]
}