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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3452",
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"results": [
{
"id": "jvasp-85764",
"created_at": "2022-09-04T14:36:19.637660Z",
"updated_at": "2022-09-04T14:36:19.637687Z",
"structure_string": "K2 Pb1 S2 O8\n1.0\n6.384573 0.708636 8.477214\n3.339263 5.487647 8.477214\n1.112064 0.708636 10.554110\nK Pb S O\n2 1 2 8\ndirect\n0.726219 0.726223 0.726220 K\n0.273779 0.273780 0.273779 K\n0.499999 0.500001 0.500000 Pb\n0.592773 0.592777 0.592775 S\n0.407224 0.407226 0.407225 S\n0.715961 0.715964 0.289979 O\n0.284036 0.710021 0.284037 O\n0.715961 0.289981 0.715962 O\n0.710019 0.284039 0.284037 O\n0.284036 0.284039 0.710020 O\n0.359329 0.359331 0.359330 O\n0.289978 0.715964 0.715962 O\n0.640668 0.640672 0.640670 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
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"S",
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],
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"density": 2.817294720623324,
"density_atomic": 0.04618844414772304,
"volume": 281.45568095826115,
"volume_molar": 13.038197911017697,
"formula_full": "K2 Pb1 S2 O8",
"formula_reduced": "K2Pb(SO4)2",
"formula_anonymous": "AB2C2D8",
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{
"id": "jvasp-116576",
"created_at": "2022-09-04T14:38:52.687600Z",
"updated_at": "2022-09-04T14:38:52.687633Z",
"structure_string": "K2 Zn4 P4 O16\n1.0\n4.987811 -0.213422 -1.033397\n-2.954170 8.080975 -0.185662\n-0.102669 1.034670 9.058944\nK Zn P O\n2 4 4 16\ndirect\n0.530902 0.821707 0.687977 K\n0.469097 0.178293 0.312023 K\n0.714435 0.863143 0.141072 Zn\n0.285564 0.136857 0.858928 Zn\n0.235911 0.527636 0.283689 Zn\n0.764088 0.472364 0.716310 Zn\n0.099191 0.755353 0.970503 P\n0.900809 0.244647 0.029497 P\n0.102513 0.306512 0.582788 P\n0.897486 0.693488 0.417212 P\n0.187285 0.230313 0.015549 O\n0.075181 0.129949 0.650947 O\n0.924818 0.870051 0.349053 O\n0.350979 0.441060 0.685241 O\n0.649020 0.558939 0.314758 O\n0.812714 0.769687 0.984450 O\n0.850423 0.687859 0.579817 O\n0.813375 0.330968 0.574663 O\n0.049889 0.597457 0.883701 O\n0.950111 0.402543 0.116298 O\n0.186624 0.669031 0.425337 O\n0.734033 0.094912 0.121258 O\n0.708316 0.249112 0.871944 O\n0.291683 0.750888 0.128055 O\n0.149576 0.312141 0.420182 O\n0.265966 0.905087 0.878741 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Zn",
"P",
"O"
],
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"density": 3.2952730446164513,
"density_atomic": 0.0716891222420018,
"volume": 362.6770587625762,
"volume_molar": 8.400354993427023,
"formula_full": "K2 Zn4 P4 O16",
"formula_reduced": "KZn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.843905984615385,
"spacegroup": 2
},
{
"id": "jvasp-42914",
"created_at": "2022-09-04T14:37:28.039823Z",
"updated_at": "2022-09-04T14:37:28.039849Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n0.000000 5.680002 -0.000015\n5.729154 0.000000 0.000000\n0.000000 -0.000022 -7.937244\nLi V Si O\n2 4 4 16\ndirect\n0.685738 0.500000 0.249998 Li\n0.314262 0.500000 0.750000 Li\n0.000000 0.273491 0.000000 V\n0.000000 0.726507 0.500000 V\n0.721385 0.000000 0.249999 V\n0.278615 0.000000 0.749999 V\n0.238859 0.755702 0.121136 Si\n0.238859 0.244296 0.378865 Si\n0.761141 0.244296 0.621134 Si\n0.761141 0.755702 0.878863 Si\n0.485166 0.233172 0.272271 O\n0.228843 0.008222 0.505217 O\n0.228844 0.991776 0.994783 O\n0.230174 0.513557 0.010281 O\n0.230174 0.486441 0.489720 O\n0.485165 0.766828 0.227729 O\n0.514835 0.766828 0.772270 O\n0.771157 0.008222 0.494782 O\n0.769826 0.513557 0.989718 O\n0.769826 0.486441 0.510279 O\n0.771156 0.991776 0.005216 O\n0.003780 0.237382 0.248179 O\n0.996221 0.762617 0.748179 O\n0.996220 0.237382 0.751819 O\n0.514834 0.233172 0.727728 O\n0.003779 0.762617 0.251820 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.767241582993602,
"density_atomic": 0.10066178604888022,
"volume": 258.2906683910287,
"volume_molar": 5.982549084789452,
"formula_full": "Li2 V4 Si4 O16",
"formula_reduced": "LiV2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.1035510461538465,
"spacegroup": 17
},
{
"id": "jvasp-11473",
"created_at": "2022-09-04T14:38:05.317891Z",
"updated_at": "2022-09-04T14:38:05.317906Z",
"structure_string": "Ba1 V2 Ni2 O8\n1.0\n4.806778 0.020048 6.486796\n2.155878 4.296243 6.486796\n0.032340 0.020049 8.073573\nBa V Ni O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.574752 0.574751 0.574751 V\n0.425249 0.425249 0.425249 V\n0.830705 0.830704 0.830704 Ni\n0.169296 0.169296 0.169296 Ni\n0.437323 0.789141 0.118157 O\n0.789142 0.118157 0.437322 O\n0.118157 0.437322 0.789141 O\n0.562678 0.210859 0.881843 O\n0.210859 0.881843 0.562678 O\n0.350510 0.350510 0.350510 O\n0.649491 0.649490 0.649490 O\n0.881844 0.562678 0.210858 O\n",
"nsites": 13,
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"elements": [
"Ba",
"V",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-V",
"density": 4.8728184498695155,
"density_atomic": 0.07872238542347833,
"volume": 165.1372723281687,
"volume_molar": 7.649845374482192,
"formula_full": "Ba1 V2 Ni2 O8",
"formula_reduced": "BaV2(NiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.6511120900000003,
"spacegroup": 148
},
{
"id": "jvasp-46720",
"created_at": "2022-09-04T14:38:07.752567Z",
"updated_at": "2022-09-04T14:38:07.752588Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 4.801384 0.004335\n10.013088 0.000000 0.000000\n0.000000 -0.066862 -6.051290\nLi Mn P O\n2 4 4 16\ndirect\n0.250083 0.797048 0.749792 Li\n0.749916 0.297048 0.250207 Li\n0.297250 0.516084 0.998241 Mn\n0.202800 0.078212 0.501805 Mn\n0.797199 0.578212 0.498194 Mn\n0.702750 0.016084 0.001758 Mn\n0.165422 0.202025 0.000545 P\n0.665469 0.892289 0.500528 P\n0.834578 0.702025 0.999454 P\n0.334531 0.392289 0.499471 P\n0.983859 0.906305 0.514919 O\n0.965902 0.624176 0.196823 O\n0.015871 0.136967 0.205647 O\n0.484101 0.457362 0.294386 O\n0.534191 0.970164 0.303167 O\n0.574489 0.744385 0.500408 O\n0.016140 0.406304 0.485080 O\n0.034097 0.124176 0.803177 O\n0.465809 0.470164 0.696832 O\n0.515899 0.957362 0.705613 O\n0.984129 0.636967 0.794352 O\n0.483818 0.187960 0.014917 O\n0.516181 0.687960 0.985083 O\n0.074572 0.349949 0.000401 O\n0.425511 0.244385 0.499591 O\n0.925428 0.849949 -0.000402 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5018654151754887,
"density_atomic": 0.08937071658957772,
"volume": 290.9230337650899,
"volume_molar": 6.738382537152324,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0856333448275866,
"spacegroup": 14
},
{
"id": "jvasp-40183",
"created_at": "2022-09-04T14:38:16.909107Z",
"updated_at": "2022-09-04T14:38:16.909117Z",
"structure_string": "K4 Cr2 H4 F16\n1.0\n5.263758 0.000077 -0.012906\n0.000410 8.002211 -0.000320\n0.366375 0.000499 8.336375\nK Cr H F\n4 2 4 16\ndirect\n0.570004 0.313258 0.213375 K\n0.430002 0.813264 0.286625 K\n0.569997 0.186737 0.713374 K\n0.429996 0.686743 0.786625 K\n-0.000002 -0.000001 -0.000002 Cr\n-0.000000 0.500001 0.500000 Cr\n0.127356 0.336577 0.947581 H\n0.872645 0.836571 0.552416 H\n0.872647 0.663424 0.052418 H\n0.127353 0.163429 0.447586 H\n0.094328 0.726937 0.535206 F\n0.708556 0.930984 0.911323 F\n0.162425 0.994944 0.802366 F\n0.837578 0.494930 0.697625 F\n0.291447 0.430981 0.588696 F\n0.708152 0.896897 0.561193 F\n0.905670 0.273064 0.464794 F\n0.291442 0.069016 0.088678 F\n0.708553 0.569020 0.411303 F\n0.162424 0.505070 0.302373 F\n0.837580 0.005056 0.197631 F\n0.291835 0.396901 0.938811 F\n0.708164 0.603100 0.061189 F\n0.094335 0.773059 0.035220 F\n0.291847 0.103101 0.438808 F\n0.905663 0.226945 0.964781 F\n",
"nsites": 26,
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"elements": [
"K",
"Cr",
"H",
"F"
],
"chemical_system": "Cr-F-H-K",
"density": 2.687613446252175,
"density_atomic": 0.07403607660285016,
"volume": 351.1801434248216,
"volume_molar": 8.134062522389478,
"formula_full": "K4 Cr2 H4 F16",
"formula_reduced": "K2CrH2F8",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 14
},
{
"id": "jvasp-29423",
"created_at": "2022-09-04T14:38:10.620357Z",
"updated_at": "2022-09-04T14:38:10.620386Z",
"structure_string": "U2 Tl4 Te4 O16\n1.0\n7.012296 0.019719 -2.192897\n-2.595111 7.491403 -0.567705\n0.029388 0.008683 8.924982\nU Tl Te O\n2 4 4 16\ndirect\n0.107825 0.937727 0.714687 U\n0.892175 0.062272 0.285312 U\n0.034004 0.421374 0.683848 Tl\n0.293877 0.417348 0.084994 Tl\n0.706124 0.582652 0.915005 Tl\n0.965997 0.578626 0.316151 Tl\n0.339135 0.908892 0.135525 Te\n0.660866 0.091107 0.864474 Te\n0.406115 0.284954 0.487583 Te\n0.593886 0.715045 0.512416 Te\n0.838886 0.218137 0.067629 O\n0.995101 0.087160 0.804678 O\n0.172744 0.137839 0.549197 O\n0.689506 0.284289 0.751751 O\n0.816090 0.707418 0.692050 O\n0.310494 0.715710 0.248248 O\n0.161115 0.781862 0.932370 O\n0.418831 0.496344 0.614193 O\n0.004900 0.912839 0.195320 O\n0.183911 0.292581 0.307949 O\n0.227304 0.800043 0.622078 O\n0.772696 0.199956 0.377921 O\n0.410316 0.108137 0.886785 O\n0.589685 0.891863 0.113214 O\n0.581170 0.503655 0.385806 O\n0.827257 0.862160 0.450801 O\n",
"nsites": 26,
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"elements": [
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"Te",
"O"
],
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"density": 7.280059601267291,
"density_atomic": 0.05533448624767046,
"volume": 469.869727960013,
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"formula_full": "U2 Tl4 Te4 O16",
"formula_reduced": "UTl2(TeO4)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 2
},
{
"id": "jvasp-12239",
"created_at": "2022-09-04T14:38:10.268697Z",
"updated_at": "2022-09-04T14:38:10.268718Z",
"structure_string": "Ba1 Ni2 As2 O8\n1.0\n4.739554 -0.025583 6.859734\n2.120505 4.238805 6.859735\n-0.041658 -0.025587 8.337721\nBa Ni As O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.831060 0.831059 0.831060 Ni\n0.168940 0.168940 0.168941 Ni\n0.573878 0.573877 0.573878 As\n0.426122 0.426122 0.426122 As\n0.881027 0.212476 0.560970 O\n0.212476 0.560968 0.881029 O\n0.560970 0.881027 0.212476 O\n0.118973 0.787523 0.439031 O\n0.787524 0.439031 0.118972 O\n0.354039 0.354039 0.354039 O\n0.645961 0.645960 0.645961 O\n0.439030 0.118972 0.787525 O\n",
"nsites": 13,
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"elements": [
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"As",
"O"
],
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"density": 5.213072467419187,
"density_atomic": 0.07663476568540376,
"volume": 169.63580280739404,
"volume_molar": 7.858236018782539,
"formula_full": "Ba1 Ni2 As2 O8",
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"spacegroup": 148
},
{
"id": "jvasp-89041",
"created_at": "2022-09-04T14:35:51.176333Z",
"updated_at": "2022-09-04T14:35:51.176349Z",
"structure_string": "Ba4 Mg8 V8 O32\n1.0\n7.664694 0.000075 3.694616\n3.832401 8.837261 1.847374\n-0.004786 0.000074 9.808018\nBa Mg V O\n4 8 8 32\ndirect\n0.375001 0.249999 0.750002 Ba\n0.124998 0.749999 0.250000 Ba\n0.624998 0.750000 0.249999 Ba\n0.875001 0.250000 0.750001 Ba\n0.957159 0.249998 0.085680 Mg\n0.042841 0.750001 0.914320 Mg\n0.457158 0.585679 0.749998 Mg\n0.792840 0.914318 0.750002 Mg\n0.707159 0.749998 0.585681 Mg\n0.542841 0.414320 0.250002 Mg\n0.292840 0.250001 0.414319 Mg\n0.207159 0.085681 0.249999 Mg\n0.750000 0.081344 0.418656 V\n0.250000 0.418652 0.081348 V\n0.668653 0.081348 0.081346 V\n0.168653 0.581345 0.581348 V\n0.250000 0.918655 0.581345 V\n0.750000 0.581347 0.918653 V\n0.831346 0.418654 0.418653 V\n0.331346 0.918651 0.918655 V\n0.957654 0.733495 0.585756 O\n0.776910 0.414242 0.266505 O\n0.543411 0.233495 0.414244 O\n0.191148 0.266507 0.085757 O\n0.457654 0.085755 0.233497 O\n0.276910 0.766504 0.914243 O\n0.349647 0.585368 0.411108 O\n0.223089 0.585756 0.733495 O\n0.346123 0.914631 0.088891 O\n0.260757 0.088889 0.585367 O\n0.935014 0.411107 0.914632 O\n0.150352 0.088892 0.914632 O\n0.564985 0.585368 0.088892 O\n0.239242 0.914633 0.411110 O\n0.153877 0.411109 0.585369 O\n0.650352 0.414631 0.588893 O\n0.653876 0.085368 0.911110 O\n0.739242 0.911110 0.414634 O\n0.043411 0.914243 0.733495 O\n0.064986 0.588892 0.085368 O\n0.435014 0.414631 0.911108 O\n0.760757 0.085366 0.588890 O\n0.846123 0.588890 0.414631 O\n0.723089 0.233495 0.085757 O\n0.042345 0.266504 0.414244 O\n0.308851 0.414242 0.233493 O\n0.956588 0.085756 0.266505 O\n0.542345 0.914244 0.766504 O\n0.808851 0.733492 0.914243 O\n0.456588 0.766504 0.585757 O\n0.849647 0.911107 0.085368 O\n0.691148 0.585757 0.766507 O\n",
"nsites": 52,
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"elements": [
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],
"chemical_system": "Ba-Mg-O-V",
"density": 4.156381420537027,
"density_atomic": 0.0782544942272059,
"volume": 664.4985762609621,
"volume_molar": 7.695584540505977,
"formula_full": "Ba4 Mg8 V8 O32",
"formula_reduced": "BaMg2V2O8",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 142
},
{
"id": "jvasp-86095",
"created_at": "2022-09-04T14:35:53.815268Z",
"updated_at": "2022-09-04T14:35:53.815284Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368219 0.039202 1.932702\n2.754581 5.741780 1.932702\n-0.036506 -0.023132 9.833210\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397298 0.397299 0.829108 Rb\n0.602701 0.602701 0.170891 Rb\n0.866065 0.866065 0.400907 Hg\n0.133934 0.133935 0.599093 Hg\n0.000000 0.000000 0.000000 Pd\n0.085096 0.085097 0.305975 Cl\n0.106689 0.623952 0.134375 Cl\n0.647877 0.647877 0.503505 Cl\n0.376047 0.893311 0.865624 Cl\n0.352122 0.352123 0.496495 Cl\n0.623952 0.106689 0.134375 Cl\n0.893310 0.376048 0.865624 Cl\n0.914903 0.914904 0.694024 Cl\n",
"nsites": 13,
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"elements": [
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],
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"density": 4.44977681544209,
"density_atomic": 0.03620640177073382,
"volume": 359.0525256367258,
"volume_molar": 16.63280653552209,
"formula_full": "Rb2 Hg2 Pd1 Cl8",
"formula_reduced": "Rb2Hg2PdCl8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 4.615384615429263e-06,
"spacegroup": 12
},
{
"id": "jvasp-19166",
"created_at": "2022-09-04T14:38:36.581548Z",
"updated_at": "2022-09-04T14:38:36.581577Z",
"structure_string": "Mg4 Ta4 Sn2 O16\n1.0\n-5.293614 0.001119 0.011148\n-0.000528 -6.029496 -0.001957\n0.328042 3.015201 10.409364\nMg Ta Sn O\n4 4 2 16\ndirect\n0.243480 0.870220 0.459740 Mg\n0.255517 0.410617 0.540244 Mg\n0.755563 0.128940 0.540204 Mg\n0.743519 0.588532 0.459697 Mg\n0.269018 0.042271 0.745441 Ta\n0.230009 0.296260 0.254564 Ta\n0.730030 0.956865 0.254503 Ta\n0.769045 0.702872 0.745382 Ta\n0.749517 0.305905 0.000525 Sn\n0.249543 0.693192 0.999411 Sn\n0.119803 0.157330 0.607010 O\n0.379257 0.550121 0.392948 O\n0.879237 0.841823 0.392941 O\n0.619783 0.449038 0.606989 O\n0.947291 0.301449 0.383170 O\n0.551835 0.918618 0.616898 O\n0.884498 0.547025 0.860215 O\n0.037280 0.999112 0.168334 O\n0.114549 0.452064 0.139710 O\n0.384167 0.313230 0.860286 O\n0.461561 0.831092 0.831609 O\n0.051768 0.697710 0.616780 O\n0.537513 0.168060 0.168343 O\n0.961793 0.000009 0.831627 O\n0.614872 0.685912 0.139659 O\n0.447210 0.080540 0.383048 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Ta",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn-Ta",
"density": 6.569592587586527,
"density_atomic": 0.07825784692568435,
"volume": 332.2350540092198,
"volume_molar": 7.695254848652785,
"formula_full": "Mg4 Ta4 Sn2 O16",
"formula_reduced": "Mg2Ta2SnO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.757115861538461,
"spacegroup": 15
},
{
"id": "jvasp-112709",
"created_at": "2022-09-04T14:38:42.492501Z",
"updated_at": "2022-09-04T14:38:42.492519Z",
"structure_string": "Ba2 Sr1 P2 O8\n1.0\n5.182405 -0.006301 5.635484\n2.193079 4.695504 5.635484\n-0.009911 -0.006301 7.656102\nBa Sr P O\n2 1 2 8\ndirect\n0.206747 0.206747 0.206747 Ba\n0.793252 0.793252 0.793252 Ba\n0.000000 0.000000 0.000000 Sr\n0.403578 0.403578 0.403578 P\n0.596421 0.596421 0.596421 P\n0.276295 0.734287 0.276294 O\n0.276295 0.276295 0.734287 O\n0.734287 0.276295 0.276294 O\n0.723705 0.265713 0.723705 O\n0.723705 0.723705 0.265712 O\n0.265713 0.723705 0.723705 O\n0.329850 0.329850 0.329850 O\n0.670149 0.670150 0.670149 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"P",
"O"
],
"chemical_system": "Ba-O-P-Sr",
"density": 4.909446596343346,
"density_atomic": 0.06960128213579711,
"volume": 186.77816846298987,
"volume_molar": 8.652341702916292,
"formula_full": "Ba2 Sr1 P2 O8",
"formula_reduced": "Ba2Sr(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.048895173076924,
"spacegroup": 166
}
]
}