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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4457",
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"results": [
{
"id": "jvasp-57367",
"created_at": "2022-09-04T14:37:44.621084Z",
"updated_at": "2022-09-04T14:37:44.621106Z",
"structure_string": "Li2 Mo2 I2 O12\n1.0\n0.000000 5.455142 -0.010305\n5.312516 0.000000 0.000000\n0.000000 -2.634330 -8.572233\nLi Mo I O\n2 2 2 12\ndirect\n0.992366 0.685480 0.582446 Li\n0.007634 0.185480 0.417554 Li\n0.235843 0.386389 0.965417 Mo\n0.764157 0.886389 0.034583 Mo\n0.372094 0.621178 0.337311 I\n0.627905 0.121177 0.662689 I\n0.112265 0.534646 0.416420 O\n0.512358 0.677628 0.045101 O\n0.648006 0.515825 0.495749 O\n0.643852 0.836174 0.785937 O\n0.021699 0.667018 0.047415 O\n0.356147 0.336174 0.214063 O\n0.887735 0.034646 0.583580 O\n0.487641 0.177627 0.954899 O\n0.142797 0.519546 0.781018 O\n0.351994 0.015824 0.504252 O\n0.978300 0.167018 0.952585 O\n0.857202 0.019546 0.218983 O\n",
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{
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"structure_string": "Zn4 Si6 Pb8 S2 O30\n1.0\n0.000000 11.366614 -0.008199\n5.265544 0.000000 0.000000\n0.000000 -3.899575 -12.071694\nZn Si Pb S O\n4 6 8 2 30\ndirect\n0.641320 0.016177 0.612717 Zn\n0.917615 0.995900 0.355543 Zn\n0.082384 0.495901 0.644456 Zn\n0.358679 0.516177 0.387283 Zn\n0.362297 0.441068 0.816547 Si\n0.923043 0.983831 0.624184 Si\n0.076956 0.483831 0.375816 Si\n0.637702 0.941067 0.183453 Si\n0.486553 0.015190 0.346946 Si\n0.513446 0.515189 0.653053 Si\n0.814782 0.488078 0.127928 Pb\n0.849447 0.492581 0.783457 Pb\n0.545775 0.954405 0.884581 Pb\n0.150552 0.992581 0.216543 Pb\n0.454224 0.454406 0.115419 Pb\n0.267467 0.087514 0.565709 Pb\n0.732532 0.587514 0.434290 Pb\n0.185217 0.988078 0.872071 Pb\n0.145510 0.508877 0.031012 S\n0.854489 0.008877 0.968988 S\n0.397061 0.419377 0.547048 O\n0.055514 0.839840 0.687166 O\n0.103712 0.512687 0.907081 O\n0.476676 0.323905 0.334111 O\n0.596555 0.768458 0.070215 O\n0.235542 0.724675 0.069179 O\n0.403444 0.268458 0.929785 O\n0.523323 0.823905 0.665889 O\n0.214894 0.267885 0.069965 O\n0.896287 0.012687 0.092919 O\n0.957298 0.035268 0.922919 O\n0.064433 0.793170 0.356889 O\n0.356605 0.881872 0.350694 O\n0.481069 0.404801 0.765236 O\n0.602938 0.919376 0.452952 O\n0.935566 0.293170 0.643111 O\n0.654965 0.241589 0.164046 O\n0.239572 0.308309 0.727855 O\n0.643394 0.381873 0.649305 O\n0.117641 0.403016 0.507655 O\n0.518930 0.904800 0.234764 O\n0.764457 0.224675 0.930821 O\n0.811435 0.875814 0.670723 O\n0.760427 0.808309 0.272145 O\n0.345034 0.741588 0.835953 O\n0.944486 0.339841 0.312834 O\n0.188564 0.375815 0.329277 O\n0.785105 0.767885 0.930034 O\n0.042701 0.535268 0.077081 O\n0.882358 0.903015 0.492344 O\n",
"nsites": 50,
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],
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"volume": 722.6762137018834,
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"formula_full": "Zn4 Si6 Pb8 S2 O30",
"formula_reduced": "Zn2Si3Pb4SO15",
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"spacegroup": 4
},
{
"id": "jvasp-40422",
"created_at": "2022-09-04T14:37:48.291363Z",
"updated_at": "2022-09-04T14:37:48.291382Z",
"structure_string": "K2 Y2 Si2 S8\n1.0\n0.000000 6.398444 -0.019695\n6.591049 0.000000 0.000000\n0.000000 -2.649828 -8.091114\nK Y Si S\n2 2 2 8\ndirect\n0.730603 0.979211 0.935228 K\n0.269396 0.479211 0.064771 K\n0.230228 0.497696 0.551004 Y\n0.769771 0.997696 0.448995 Y\n0.781776 0.462268 0.678927 Si\n0.218223 0.962268 0.321072 Si\n0.585104 0.462754 0.837330 S\n0.024208 0.227259 0.724647 S\n0.981841 0.728780 0.706828 S\n0.420897 0.909034 0.568989 S\n0.579102 0.409034 0.431010 S\n0.018157 0.228780 0.293171 S\n0.975791 0.727259 0.275352 S\n0.414895 0.962754 0.162669 S\n",
"nsites": 14,
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"density_atomic": 0.04098766923116804,
"volume": 341.56614080788114,
"volume_molar": 14.692566991393146,
"formula_full": "K2 Y2 Si2 S8",
"formula_reduced": "KYSiS4",
"formula_anonymous": "ABCD4",
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{
"id": "jvasp-40634",
"created_at": "2022-09-04T14:37:50.594183Z",
"updated_at": "2022-09-04T14:37:50.594202Z",
"structure_string": "Na2 Si4 B2 H4 O14\n1.0\n0.000000 5.211210 0.193688\n6.984128 0.000000 0.000000\n0.000000 -0.456596 -8.895998\nNa Si B H O\n2 4 2 4 14\ndirect\n0.064411 0.421759 0.552965 Na\n0.935588 0.921759 0.447035 Na\n0.189498 0.099865 0.868537 Si\n0.810502 0.599865 0.131463 Si\n0.279112 0.531264 0.937041 Si\n0.720887 0.031264 0.062959 Si\n0.242369 0.802859 0.685042 B\n0.757630 0.302859 0.314958 B\n0.575951 0.668307 0.583456 H\n0.424048 0.168307 0.416544 H\n0.770453 0.684076 0.729896 H\n0.229546 0.184076 0.270104 H\n0.786831 0.503988 0.297003 O\n0.234482 0.160672 0.378259 O\n0.765517 0.660672 0.621741 O\n0.418376 0.034471 -0.003164 O\n0.581624 0.534471 0.003164 O\n0.213168 0.003988 0.702996 O\n0.213485 0.332268 0.842896 O\n0.221860 0.708507 0.824153 O\n0.092173 0.548406 0.074138 O\n0.907826 0.048406 0.925862 O\n0.786514 0.832268 0.157104 O\n0.720554 0.219440 0.443133 O\n0.778139 0.208506 0.175847 O\n0.279445 0.719440 0.556867 O\n",
"nsites": 26,
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"B",
"H",
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],
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"density_atomic": 0.08045576806378008,
"volume": 323.15893099658064,
"volume_molar": 7.485032962740522,
"formula_full": "Na2 Si4 B2 H4 O14",
"formula_reduced": "NaSi2BH2O7",
"formula_anonymous": "ABC2D2E7",
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"spacegroup": 4
},
{
"id": "jvasp-40428",
"created_at": "2022-09-04T14:37:51.779724Z",
"updated_at": "2022-09-04T14:37:51.779744Z",
"structure_string": "K2 Y2 Ge2 S8\n1.0\n0.000000 6.499046 0.025878\n6.665244 0.000000 0.000000\n0.000000 -2.606828 -8.138748\nK Y Ge S\n2 2 2 8\ndirect\n0.738879 0.994307 0.937329 K\n0.261121 0.494307 0.062671 K\n0.229938 0.508081 0.552201 Y\n0.770063 0.008082 0.447799 Y\n0.778982 0.473934 0.678388 Ge\n0.221018 0.973934 0.321612 Ge\n0.575748 0.470777 0.842224 S\n0.031791 0.233491 0.722751 S\n0.988655 0.746312 0.706217 S\n0.435616 0.906096 0.575930 S\n0.564384 0.406096 0.424070 S\n0.011345 0.246313 0.293783 S\n0.968210 0.733490 0.277249 S\n0.424252 0.970776 0.157776 S\n",
"nsites": 14,
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"elements": [
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"Ge",
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],
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"density": 3.1022687673310236,
"density_atomic": 0.039761156674589605,
"volume": 352.102432898967,
"volume_molar": 15.145788663257386,
"formula_full": "K2 Y2 Ge2 S8",
"formula_reduced": "KYGeS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 4
},
{
"id": "jvasp-54688",
"created_at": "2022-09-04T14:37:53.858286Z",
"updated_at": "2022-09-04T14:37:53.858308Z",
"structure_string": "Lu2 H2 O4\n1.0\n0.000000 4.234279 -0.006373\n3.522735 0.000000 0.000000\n0.000000 -1.935067 -5.475008\nLu H O\n2 2 4\ndirect\n0.666900 0.777910 0.811302 Lu\n0.333100 0.277909 0.188697 Lu\n0.011858 0.794638 0.417939 H\n0.988142 0.294637 0.582061 H\n0.232087 0.777022 0.945309 O\n0.767913 0.277021 0.054690 O\n0.249369 0.775597 0.437789 O\n0.750631 0.275596 0.562211 O\n",
"nsites": 8,
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"H",
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],
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"density": 8.453030340046231,
"density_atomic": 0.09790724266227238,
"volume": 81.7099918500996,
"volume_molar": 6.150863405246907,
"formula_full": "Lu2 H2 O4",
"formula_reduced": "LuHO2",
"formula_anonymous": "ABC2",
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"spacegroup": 4
},
{
"id": "jvasp-25035",
"created_at": "2022-09-04T14:37:55.024693Z",
"updated_at": "2022-09-04T14:37:55.024702Z",
"structure_string": "Te4 O4 F8\n1.0\n0.000000 5.329418 0.100999\n7.993910 0.000000 0.000000\n0.000000 -0.728147 -5.622764\nTe O F\n4 4 8\ndirect\n0.480402 0.137638 0.645044 Te\n0.884830 0.908660 0.053940 Te\n0.519598 0.637638 0.354955 Te\n0.115169 0.408660 0.946059 Te\n0.302437 0.611872 0.046540 O\n0.622742 0.856619 0.253796 O\n0.697563 0.111872 0.953459 O\n0.377258 0.356619 0.746203 O\n0.362015 0.327670 0.254648 F\n0.637984 0.827670 0.745351 F\n0.030991 0.063124 0.306041 F\n0.221438 0.764171 0.430182 F\n0.969009 0.563124 0.693959 F\n0.808580 0.558746 0.161903 F\n0.778562 0.264171 0.569817 F\n0.191419 0.058746 0.838096 F\n",
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"elements": [
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],
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"density_atomic": 0.06695734664605932,
"volume": 238.9580949880973,
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"formula_full": "Te4 O4 F8",
"formula_reduced": "TeOF2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-109766",
"created_at": "2022-09-04T14:37:55.894912Z",
"updated_at": "2022-09-04T14:37:55.894946Z",
"structure_string": "Cr2 Fe2 Si4\n1.0\n4.504935 0.000000 0.000000\n0.000000 4.548622 0.065709\n-0.000000 -0.003835 4.546328\nCr Fe Si\n2 2 4\ndirect\n0.635716 0.628368 0.894163 Cr\n0.135716 0.371632 0.105838 Cr\n0.363333 0.860370 0.384940 Fe\n0.863333 0.139631 0.615060 Fe\n0.345566 0.335745 0.588723 Si\n0.845567 0.664256 0.411277 Si\n0.655387 0.145134 0.097844 Si\n0.155386 0.854867 0.902157 Si\n",
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],
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"volume": 93.16106270523863,
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"formula_full": "Cr2 Fe2 Si4",
"formula_reduced": "CrFeSi2",
"formula_anonymous": "ABC2",
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"spacegroup": 4
},
{
"id": "jvasp-48199",
"created_at": "2022-09-04T14:37:56.275866Z",
"updated_at": "2022-09-04T14:37:56.275891Z",
"structure_string": "Li2 Ni2 C4 O12\n1.0\n0.000000 4.809918 -0.287439\n7.671212 0.000000 0.000000\n0.000000 -2.071826 -5.888796\nLi Ni C O\n2 2 4 12\ndirect\n0.649229 0.047005 0.641999 Li\n0.350771 0.547005 0.358002 Li\n0.001649 0.000305 0.244152 Ni\n-0.001649 0.500305 0.755849 Ni\n0.134552 0.260048 0.117003 C\n0.143774 0.244244 0.611228 C\n0.865448 0.760048 0.882998 C\n0.856226 0.744244 0.388772 C\n0.903953 0.255303 0.669345 O\n0.096047 0.755303 0.330656 O\n0.243032 0.102697 0.557662 O\n0.274355 0.394291 0.618996 O\n0.720349 0.616617 0.874306 O\n0.221447 0.409145 0.073518 O\n0.892630 0.235123 0.168715 O\n0.107370 0.735123 0.831286 O\n0.756968 0.602697 0.442339 O\n0.279651 0.116617 0.125694 O\n0.778553 0.909145 0.926483 O\n0.725645 0.894291 0.381005 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.09014994735101887,
"volume": 221.8525976740236,
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"formula_full": "Li2 Ni2 C4 O12",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-54686",
"created_at": "2022-09-04T14:37:58.598901Z",
"updated_at": "2022-09-04T14:37:58.598933Z",
"structure_string": "Nd2 H2 O4\n1.0\n0.000000 4.401919 0.042290\n3.837850 0.000000 0.000000\n0.000000 -1.861954 -5.991122\nNd H O\n2 2 4\ndirect\n0.331421 0.222301 0.692342 Nd\n0.668580 0.722301 0.307658 Nd\n0.030581 0.637848 0.948535 H\n0.969420 0.137848 0.051464 H\n0.239272 0.724224 0.460128 O\n0.760729 0.224224 0.539871 O\n0.234625 0.736239 0.944493 O\n0.765376 0.236239 0.055507 O\n",
"nsites": 8,
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],
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"density_atomic": 0.07927758710984648,
"volume": 100.91124480006253,
"volume_molar": 7.596271505659933,
"formula_full": "Nd2 H2 O4",
"formula_reduced": "NdHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5801546249999998,
"spacegroup": 4
},
{
"id": "jvasp-52253",
"created_at": "2022-09-04T14:37:58.849168Z",
"updated_at": "2022-09-04T14:37:58.849192Z",
"structure_string": "Li4 Cu2 P2 O8\n1.0\n0.000000 6.145967 -0.036813\n4.943726 0.000000 0.000000\n0.000000 -0.247421 -5.407293\nLi Cu P O\n4 2 2 8\ndirect\n0.003819 0.993617 0.834288 Li\n0.250498 0.494355 0.654217 Li\n0.749502 0.994356 0.345782 Li\n0.996182 0.493616 0.165711 Li\n0.494513 0.516526 0.125949 Cu\n0.505487 0.016526 -0.125949 Cu\n0.238362 0.989614 0.340256 P\n0.761639 0.489614 0.659743 P\n0.036218 0.095294 0.187491 O\n0.232726 0.094450 0.610360 O\n0.241233 0.674704 0.333718 O\n0.453342 0.095407 0.227475 O\n0.546658 0.595407 0.772524 O\n0.758768 0.174704 0.666281 O\n0.767274 0.594450 0.389639 O\n0.963782 0.595294 0.812508 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.4839443997687014,
"density_atomic": 0.09735907761733525,
"volume": 164.34009433498497,
"volume_molar": 6.185494878730989,
"formula_full": "Li4 Cu2 P2 O8",
"formula_reduced": "Li2CuPO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 4
},
{
"id": "jvasp-36728",
"created_at": "2022-09-04T14:37:59.817276Z",
"updated_at": "2022-09-04T14:37:59.817306Z",
"structure_string": "K2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.850586 -0.003286\n8.093323 0.000000 0.000000\n0.000000 -2.888664 -5.259471\nK Ba Si H O\n2 2 2 2 8\ndirect\n0.372847 0.228962 0.701388 K\n0.627154 0.728961 0.298612 K\n0.016721 0.482768 -0.000126 Ba\n0.983281 0.982768 0.000127 Ba\n0.705056 0.246099 0.378065 Si\n0.294946 0.746099 0.621936 Si\n0.511395 0.009401 0.449690 H\n0.488607 0.509401 0.550310 H\n0.839000 0.245172 0.194283 O\n0.161002 0.745172 0.805717 O\n0.914965 0.229507 0.681296 O\n0.085037 0.729507 0.318704 O\n0.508712 0.404323 0.329673 O\n0.491290 0.904322 0.670327 O\n0.513171 0.070766 0.301185 O\n0.486831 0.570766 0.698815 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.5930390609564267,
"density_atomic": 0.06422701343817709,
"volume": 249.11636309231625,
"volume_molar": 9.376336276007484,
"formula_full": "K2 Ba2 Si2 H2 O8",
"formula_reduced": "KBaSiHO4",
"formula_anonymous": "ABCDE4",
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"spacegroup": 4
}
]
}