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{
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"results": [
{
"id": "jvasp-12053",
"created_at": "2022-09-04T14:38:28.618026Z",
"updated_at": "2022-09-04T14:38:28.618047Z",
"structure_string": "Mn2 Co2 O8\n1.0\n1.428310 2.463990 0.000000\n-2.848443 4.923211 0.000000\n0.000000 0.000000 8.857774\nMn Co O\n2 2 8\ndirect\n0.998617 0.500803 0.999887 Mn\n0.501383 0.249196 0.499887 Mn\n0.501013 0.749303 0.500104 Co\n0.998988 0.000697 0.000104 Co\n0.662410 0.837016 0.105317 O\n0.330225 0.669484 0.892612 O\n0.164177 0.585700 0.394567 O\n0.837591 0.912983 0.605317 O\n0.169776 0.080515 0.392612 O\n0.666647 0.332308 0.107513 O\n0.335823 0.164299 0.894567 O\n0.833354 0.417692 0.607512 O\n",
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{
"id": "jvasp-42228",
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"updated_at": "2022-09-04T14:38:29.310709Z",
"structure_string": "Li2 Cu4 P2 O8\n1.0\n0.000000 5.396386 0.144967\n5.076514 0.000000 0.000000\n0.000000 -0.297253 -6.304874\nLi Cu P O\n2 4 2 8\ndirect\n0.328952 0.011720 0.494200 Li\n0.671049 0.511719 0.505799 Li\n0.221407 0.488978 0.764099 Cu\n0.778595 0.988978 0.235900 Cu\n0.619111 0.438483 0.993745 Cu\n0.380890 0.938483 0.006254 Cu\n0.844512 0.009087 0.731962 P\n0.155490 0.509087 0.268037 P\n0.118702 0.923769 0.721591 O\n0.822540 0.314148 0.746928 O\n0.684075 0.906572 0.532069 O\n0.315927 0.406572 0.467930 O\n0.177462 0.814148 0.253071 O\n0.881299 0.423769 0.278408 O\n0.263070 0.378538 0.070307 O\n0.736932 0.878538 0.929692 O\n",
"nsites": 16,
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"elements": [
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"Cu",
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"O"
],
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"density": 4.408879580590029,
"density_atomic": 0.09275244612983692,
"volume": 172.5021890808448,
"volume_molar": 6.492702900331141,
"formula_full": "Li2 Cu4 P2 O8",
"formula_reduced": "LiCu2PO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 4
},
{
"id": "jvasp-9170",
"created_at": "2022-09-04T14:38:31.733562Z",
"updated_at": "2022-09-04T14:38:31.733592Z",
"structure_string": "P8 S10\n1.0\n0.000000 6.352534 -0.134281\n10.906021 0.000000 0.000000\n0.000000 -2.543955 -6.161922\nP S\n8 10\ndirect\n0.679690 0.000128 0.403205 P\n0.320308 0.500128 0.596794 P\n0.449946 0.867151 0.497899 P\n0.550052 0.367151 0.502101 P\n0.754275 0.741127 0.580240 P\n0.245724 0.241127 0.419759 P\n0.478191 0.759200 0.046955 P\n0.521808 0.259200 0.953045 P\n0.035987 0.397183 0.367022 S\n0.964011 0.897183 0.632978 S\n0.273798 0.151980 0.710855 S\n0.726200 0.651980 0.289145 S\n0.634460 0.936218 0.085392 S\n0.240949 0.789715 0.208159 S\n0.365538 0.436218 0.914608 S\n0.850252 0.618299 0.809711 S\n0.759049 0.289715 0.791840 S\n0.149747 0.118299 0.190288 S\n",
"nsites": 18,
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"elements": [
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"density": 2.1919501241429837,
"density_atomic": 0.04179933490105249,
"volume": 430.6288615024534,
"volume_molar": 14.407264551590663,
"formula_full": "P8 S10",
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},
{
"id": "jvasp-48213",
"created_at": "2022-09-04T14:38:30.165409Z",
"updated_at": "2022-09-04T14:38:30.165424Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n0.000000 4.901239 0.011697\n8.474949 0.000000 0.000000\n0.000000 -2.346289 -6.683319\nLi P W O\n2 4 2 14\ndirect\n0.816925 0.390689 0.333486 Li\n0.183075 0.890689 0.666513 Li\n0.197685 0.960597 0.076496 P\n0.408162 0.568854 0.534042 P\n0.591838 0.068854 0.465957 P\n0.802315 0.460597 0.923503 P\n0.786510 0.745573 0.272996 W\n0.213490 0.245573 0.727003 W\n0.129205 0.043112 0.874093 O\n0.071428 0.429592 0.868605 O\n0.791790 0.213122 0.505697 O\n0.759318 0.913222 0.486807 O\n0.392992 0.064339 0.592705 O\n0.607007 0.564340 0.407295 O\n0.870795 0.543112 0.125906 O\n0.208210 0.713122 0.494303 O\n0.928572 0.929592 0.131395 O\n0.605135 0.589058 0.764799 O\n0.394865 0.089058 0.235200 O\n0.374690 0.810997 0.081962 O\n0.240682 0.413221 0.513193 O\n0.625310 0.310997 0.918038 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.366894253973889,
"density_atomic": 0.07931430720702191,
"volume": 277.37744644956416,
"volume_molar": 7.592754664402899,
"formula_full": "Li2 P4 W2 O14",
"formula_reduced": "LiP2WO7",
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"spacegroup": 4
},
{
"id": "jvasp-44535",
"created_at": "2022-09-04T14:38:30.412160Z",
"updated_at": "2022-09-04T14:38:30.412191Z",
"structure_string": "Li6 Yb2 P2 C2 O14\n1.0\n0.000000 4.902428 -0.189595\n6.550561 0.000000 0.000000\n0.000000 0.295058 -8.655568\nYb Li P C O\n2 6 2 2 14\ndirect\n0.067211 0.221442 0.707168 Yb\n0.932789 0.721442 0.292832 Yb\n-0.000018 0.524204 0.984943 Li\n0.472043 0.853787 0.845673 Li\n0.583807 0.501813 0.550812 Li\n0.416194 0.001813 0.449188 Li\n0.527958 0.353787 0.154326 Li\n0.000018 0.024204 0.015057 Li\n-0.025377 0.263057 0.308423 P\n0.025377 0.763057 0.691578 P\n0.556657 0.249834 0.855632 C\n0.443344 0.749834 0.144367 C\n0.142293 0.401967 0.189907 O\n0.885441 0.061982 0.233588 O\n0.415697 0.792073 0.291706 O\n0.713330 0.389397 0.356208 O\n0.143161 0.217180 0.448063 O\n0.856839 0.717180 0.551936 O\n0.755233 0.283255 0.942987 O\n0.584303 0.292074 0.708293 O\n0.114559 0.561982 0.766411 O\n0.857707 0.901967 0.810093 O\n0.334015 0.165403 0.912798 O\n0.665985 0.665403 0.087202 O\n0.286670 0.889397 0.643792 O\n0.244767 0.783255 0.057013 O\n",
"nsites": 26,
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"elements": [
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"P",
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],
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"density": 4.173467786283205,
"density_atomic": 0.09366147257707712,
"volume": 277.59546465174077,
"volume_molar": 6.429688317193797,
"formula_full": "Li6 Yb2 P2 C2 O14",
"formula_reduced": "Li3YbPCO7",
"formula_anonymous": "ABCD3E7",
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"spacegroup": 4
},
{
"id": "jvasp-44533",
"created_at": "2022-09-04T14:38:30.266384Z",
"updated_at": "2022-09-04T14:38:30.266404Z",
"structure_string": "Li6 Mg2 P2 C2 O14\n1.0\n0.000000 5.011185 0.000118\n6.411563 0.000000 0.000000\n0.000000 -0.309525 -8.312246\nLi Mg P C O\n6 2 2 2 14\ndirect\n0.036285 0.517279 0.002479 Li\n0.417184 0.223996 0.823440 Li\n0.437673 0.388381 0.478832 Li\n0.562327 0.888380 0.521169 Li\n0.582816 0.723996 0.176560 Li\n0.963714 0.017280 -0.002479 Li\n0.050860 0.747757 0.723897 Mg\n0.949140 0.247757 0.276103 Mg\n0.043356 0.747931 0.334119 P\n0.956644 0.247932 0.665882 P\n0.533451 0.739436 0.868873 C\n0.466549 0.239437 0.131127 C\n0.924560 0.559691 0.236410 O\n0.952253 0.939713 0.232958 O\n0.537529 0.247121 0.281921 O\n0.349897 0.726952 0.358358 O\n0.912745 0.762873 0.499574 O\n0.087255 0.262873 0.500426 O\n0.354836 0.719819 0.976585 O\n0.462471 0.747120 0.718079 O\n0.047747 0.439713 0.767042 O\n0.075440 0.059691 0.763590 O\n0.783819 0.753649 0.913590 O\n0.216181 0.253649 0.086410 O\n0.650103 0.226952 0.641642 O\n0.645164 0.219819 0.023415 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 2.4884089588477316,
"density_atomic": 0.09735337030185293,
"volume": 267.0683091852357,
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"formula_full": "Li6 Mg2 P2 C2 O14",
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},
{
"id": "jvasp-44534",
"created_at": "2022-09-04T14:38:30.601808Z",
"updated_at": "2022-09-04T14:38:30.601831Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n0.000000 5.037112 -0.013387\n6.432965 0.000000 0.000000\n0.000000 -0.231955 -8.361552\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.045059 0.524010 0.002276 Li\n0.421103 0.212552 0.812473 Li\n0.445815 0.392117 0.469460 Li\n0.554185 0.892117 0.530540 Li\n0.578898 0.712553 0.187527 Li\n0.954942 0.024010 0.997724 Li\n0.045806 0.748518 0.715852 Zn\n0.954194 0.248517 0.284148 Zn\n0.041153 0.750393 0.335750 P\n0.958848 0.250393 0.664250 P\n0.537767 0.736276 0.877511 C\n0.462233 0.236276 0.122489 C\n0.923696 0.564373 0.237444 O\n0.959179 0.940347 0.232186 O\n0.544148 0.252835 0.270331 O\n0.343259 0.726180 0.367789 O\n0.895935 0.767979 0.497276 O\n0.104065 0.267978 0.502724 O\n0.374109 0.703232 0.990480 O\n0.455853 0.752836 0.729669 O\n0.040821 0.440346 0.767814 O\n0.076304 0.064373 0.762557 O\n0.790059 0.755796 0.912484 O\n0.209942 0.255796 0.087516 O\n0.656741 0.226180 0.632211 O\n0.625891 0.203232 0.009520 O\n",
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"density": 2.9564243189573673,
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"formula_full": "Li6 Zn2 P2 C2 O14",
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},
{
"id": "jvasp-44540",
"created_at": "2022-09-04T14:38:31.301465Z",
"updated_at": "2022-09-04T14:38:31.301504Z",
"structure_string": "K2 Hf2 P2 C2 O14\n1.0\n0.000000 5.295937 -0.395681\n6.594829 0.000000 0.000000\n0.000000 0.600395 -9.496324\nK Hf P C O\n2 2 2 2 14\ndirect\n0.918017 0.628084 0.140667 K\n0.081984 0.128084 0.859332 K\n0.266047 0.230466 0.336675 Hf\n0.733955 0.730466 0.663324 Hf\n0.295892 0.733106 0.435285 P\n0.704109 0.233106 0.564714 P\n0.475859 0.244584 0.076359 C\n0.524142 0.744584 0.923640 C\n0.394436 0.753214 0.814069 O\n0.736625 0.420881 0.656051 O\n0.743877 0.044471 0.653377 O\n0.099486 0.737281 0.570502 O\n0.436693 0.230704 0.518054 O\n0.563309 0.730704 0.481945 O\n0.605565 0.253214 0.185930 O\n0.256124 0.544471 0.346622 O\n0.263376 0.920881 0.343948 O\n0.777854 0.742609 0.880341 O\n0.222147 0.242609 0.119659 O\n0.430542 0.736750 0.050008 O\n0.900516 0.237281 0.429497 O\n0.569458 0.236750 -0.050008 O\n",
"nsites": 22,
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],
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"density": 3.748346848844665,
"density_atomic": 0.06664647025083764,
"volume": 330.10000255375104,
"volume_molar": 9.035948546613856,
"formula_full": "K2 Hf2 P2 C2 O14",
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"formula_anonymous": "ABCDE7",
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},
{
"id": "jvasp-44547",
"created_at": "2022-09-04T14:38:31.643123Z",
"updated_at": "2022-09-04T14:38:31.643149Z",
"structure_string": "K2 Sn2 P2 C2 O14\n1.0\n0.000000 5.031248 -0.450114\n6.529754 0.000000 0.000000\n0.000000 0.576698 -9.586142\nK Sn P C O\n2 2 2 2 14\ndirect\n0.914792 0.649640 0.147400 K\n0.085209 0.149641 0.852600 K\n0.268707 0.229500 0.342992 Sn\n0.731294 0.729500 0.657007 Sn\n0.306238 0.732123 0.431608 P\n0.693763 0.232123 0.568392 P\n0.464857 0.241024 0.083212 C\n0.535143 0.741023 0.916788 C\n0.389737 0.743136 0.811071 O\n0.744700 0.416320 0.660524 O\n0.746832 0.045446 0.657721 O\n0.127363 0.734646 0.576174 O\n0.398664 0.230228 0.538270 O\n0.601336 0.730228 0.461729 O\n0.610263 0.243137 0.188928 O\n0.253169 0.545445 0.342278 O\n0.255301 0.916319 0.339476 O\n0.798976 0.739424 0.870105 O\n0.201025 0.239424 0.129894 O\n0.438114 0.740660 0.043087 O\n0.872638 0.234647 0.423825 O\n0.561886 0.240660 -0.043088 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.07023442071438518,
"volume": 313.23672604156656,
"volume_molar": 8.574343888290326,
"formula_full": "K2 Sn2 P2 C2 O14",
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"formula_anonymous": "ABCDE7",
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"spacegroup": 4
},
{
"id": "jvasp-119375",
"created_at": "2022-09-04T14:38:31.895468Z",
"updated_at": "2022-09-04T14:38:31.895494Z",
"structure_string": "Li6 Mn2 P4 H2 O16\n1.0\n8.330685 0.000000 0.000000\n-0.000000 4.871343 1.192755\n-0.000000 0.087209 7.525702\nLi Mn P H O\n6 2 4 2 16\ndirect\n0.809753 0.065412 0.692441 Li\n0.655477 0.141391 0.377725 Li\n0.155476 0.858608 0.622275 Li\n0.309752 0.934587 0.307559 Li\n0.831758 0.605765 0.970944 Li\n0.331758 0.394235 0.029056 Li\n0.503220 0.761697 0.737859 Mn\n0.003220 0.238303 0.262141 Mn\n0.365640 0.375251 0.464308 P\n0.865640 0.624749 0.535692 P\n0.631859 0.121712 0.029948 P\n0.131858 0.878287 0.970052 P\n0.487431 0.680955 0.225981 H\n0.987432 0.319044 0.774019 H\n0.335479 0.630006 0.539133 O\n0.835479 0.369994 0.460867 O\n0.426469 0.490716 0.255710 O\n0.035125 0.635961 0.088366 O\n0.280292 0.765278 0.886323 O\n0.926469 0.509284 0.744291 O\n0.682342 0.920147 0.912286 O\n0.495122 0.180521 0.566257 O\n0.714865 0.791023 0.557996 O\n0.995122 0.819479 0.433744 O\n0.528701 0.968073 0.196909 O\n0.182342 0.079853 0.087715 O\n0.780292 0.234721 0.113677 O\n0.214865 0.208977 0.442004 O\n0.028701 0.031927 0.803091 O\n0.535125 0.364039 0.911634 O\n",
"nsites": 30,
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],
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"density_atomic": 0.09850966045806203,
"volume": 304.53866007153414,
"volume_molar": 6.113248926041901,
"formula_full": "Li6 Mn2 P4 H2 O16",
"formula_reduced": "Li3MnP2HO8",
"formula_anonymous": "ABC2D3E8",
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"spacegroup": 4
},
{
"id": "jvasp-24955",
"created_at": "2022-09-04T14:38:31.980058Z",
"updated_at": "2022-09-04T14:38:31.980093Z",
"structure_string": "K2 Li2 Si4 O10\n1.0\n0.000000 5.996842 0.005456\n4.851216 0.000000 0.000000\n0.000000 -0.493190 -8.176626\nK Li Si O\n2 2 4 10\ndirect\n0.031906 0.309970 0.686178 K\n0.968094 0.809971 0.313822 K\n0.128498 0.298773 0.094226 Li\n0.871502 0.798773 0.905774 Li\n0.366580 0.782400 0.937617 Si\n0.558629 0.864522 0.606219 Si\n0.441371 0.364521 0.393781 Si\n0.633419 0.282400 0.062383 Si\n0.480458 0.697207 0.435717 O\n0.403632 0.109126 -0.002034 O\n0.364212 0.787924 0.735989 O\n0.635788 0.287924 0.264011 O\n0.143233 0.653341 0.998473 O\n0.596368 0.609127 0.002033 O\n0.809758 0.803439 0.671963 O\n0.190242 0.303438 0.328037 O\n0.519542 0.197206 0.564283 O\n0.856767 0.153341 0.001527 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "K-Li-O-Si",
"density": 2.5440248388182676,
"density_atomic": 0.07567440005661087,
"volume": 237.8611523386307,
"volume_molar": 7.957963003994652,
"formula_full": "K2 Li2 Si4 O10",
"formula_reduced": "KLiSi2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 4
},
{
"id": "jvasp-119385",
"created_at": "2022-09-04T14:38:32.091648Z",
"updated_at": "2022-09-04T14:38:32.091684Z",
"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.279620 -0.000000 0.000000\n0.000000 4.803628 -0.058555\n-0.000000 -0.455336 9.038945\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.608119 0.973030 0.888606 Na\n0.108119 0.026969 0.111394 Na\n0.242195 0.259909 0.664656 Cr\n0.742195 0.740090 0.335344 Cr\n0.234763 0.443043 0.917469 C\n0.734763 0.556956 0.082531 C\n0.743777 0.292797 0.578649 S\n0.243777 0.707203 0.421351 S\n0.748077 0.408386 0.199633 O\n0.427856 0.762872 0.325130 O\n0.056652 0.772037 0.328314 O\n0.745716 0.121213 0.438936 O\n0.238597 0.408291 0.458180 O\n0.738597 0.591709 0.541820 O\n0.248077 0.591614 0.800367 O\n0.556652 0.227962 0.671686 O\n0.927856 0.237128 0.674870 O\n0.745299 0.830508 0.122771 O\n0.245299 0.169492 0.877229 O\n0.711099 0.464635 0.952088 O\n0.245716 0.878787 0.561064 O\n0.211099 0.535364 0.047912 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Cr",
"C",
"S",
"O"
],
"chemical_system": "C-Cr-Na-O-S",
"density": 2.816081409882046,
"density_atomic": 0.08073632349705469,
"volume": 272.49197197841903,
"volume_molar": 7.4590227782909775,
"formula_full": "Na2 Cr2 C2 S2 O14",
"formula_reduced": "NaCrCSO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.0269537181818174,
"spacegroup": 4
}
]
}