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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11555",
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"results": [
{
"id": "mp-1175054",
"created_at": "2022-09-04T14:45:54.540522Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.879397 0.116282 0.169989\n-0.766478 14.508896 -0.500551\n-0.214543 0.122393 5.134548\nLi Mn Co O\n7 2 3 12\ndirect\n0.998399 0.152481 0.646140 Li\n0.499499 0.506258 0.496542 Li\n0.003719 0.842769 0.351121 Li\n0.510204 0.155679 0.167816 Li\n0.000719 0.503942 0.002658 Li\n0.491787 0.837915 0.835146 Li\n0.498966 0.999558 0.498023 Li\n0.998998 0.999564 0.999718 Mn\n0.501057 0.333236 0.832686 Mn\n0.999630 0.668060 0.667270 Co\n0.001915 0.332680 0.333069 Co\n0.499686 0.667862 0.167422 Co\n0.505133 0.074145 0.849510 O\n0.011274 0.407738 0.685085 O\n0.483750 0.743518 0.507197 O\n0.998935 0.079063 0.303746 O\n0.498389 0.408399 0.148034 O\n0.980762 0.741430 0.010089 O\n0.505507 0.258865 0.520338 O\n0.014966 0.588032 0.327843 O\n0.492005 0.925970 0.150154 O\n0.991591 0.261201 0.979163 O\n0.512433 0.589361 0.824475 O\n0.000676 0.922273 0.696754 O\n",
"nsites": 24,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.059666846673962,
"density_atomic": 0.1112836703588124,
"volume": 215.6650649876725,
"volume_molar": 5.411522409876299,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.82885219,
"energy_per_atom": -6.534535507916666,
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"energy_uncorrected": -140.33485219,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:14.181000Z",
"spacegroup": 1
},
{
"id": "mp-676855",
"created_at": "2022-09-04T14:45:54.555308Z",
"structure_string": "In4 H12 O12\n1.0\n6.964470 0.000000 0.000000\n-2.030778 6.696917 0.000000\n-2.668116 -3.158436 5.655257\nIn H O\n4 12 12\ndirect\n0.499616 0.515526 0.497872 In\n0.012070 0.997350 0.502171 In\n0.991978 0.491056 0.010243 In\n0.513348 0.012081 0.974852 In\n0.837825 0.533893 0.374050 H\n0.301929 0.326534 0.019041 H\n0.297689 0.825622 0.454409 H\n0.723107 0.033264 0.670526 H\n0.541539 0.370281 0.817026 H\n0.693780 0.743036 0.045206 H\n0.639690 0.162001 0.457925 H\n0.354223 0.029712 0.305964 H\n0.960598 0.316192 0.285151 H\n0.204529 0.417157 0.622923 H\n0.230732 0.602923 0.831691 H\n0.987865 0.676285 0.670654 H\n0.833947 0.340730 0.178391 O\n0.512005 0.829878 0.664325 O\n0.849121 0.658097 0.514009 O\n0.296539 0.447932 0.147257 O\n0.167063 0.829750 0.323492 O\n0.322653 0.162536 0.832275 O\n0.703744 0.874094 0.167385 O\n0.834149 0.160814 0.663987 O\n0.665275 0.501130 0.829762 O\n0.168757 0.307070 0.472556 O\n0.494688 0.157102 0.329634 O\n0.163443 0.700853 0.873222 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"In",
"H",
"O"
],
"chemical_system": "H-In-O",
"density": 4.1762173746891005,
"density_atomic": 0.10615554809025382,
"volume": 263.76388708571596,
"volume_molar": 5.672940197981885,
"formula_full": "In4 H12 O12",
"formula_reduced": "In(HO)3",
"formula_anonymous": "AB3C3",
"energy": -152.31281306,
"energy_per_atom": -5.439743323571428,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -144.06881306,
"band_gap": 1.9486,
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"is_magnetic": false,
"total_magnetization": 0.0014225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.272000Z",
"spacegroup": 1
},
{
"id": "mp-1233467",
"created_at": "2022-09-04T14:45:54.570463Z",
"structure_string": "Mg1 Te4 H4 O6 F8\n1.0\n5.476194 -0.246537 0.050876\n2.458905 5.807109 0.057267\n2.814999 -0.055544 10.713727\nMg Te H O F\n1 4 4 6 8\ndirect\n0.344512 0.916297 0.053340 Mg\n0.792717 0.217897 0.911161 Te\n0.898981 0.704355 0.135632 Te\n0.423895 0.708194 0.611109 Te\n0.773467 0.276365 0.408459 Te\n0.114582 0.209489 0.711627 H\n0.212219 0.723872 0.272457 H\n0.580053 0.767741 0.789579 H\n0.162517 0.279090 0.205366 H\n0.766300 0.508658 0.512482 O\n0.990565 0.978041 0.005071 O\n0.536162 0.640229 0.765676 O\n0.969256 0.392467 0.258065 O\n0.013627 0.104363 0.745053 O\n0.099695 0.842466 0.225661 O\n0.444712 0.525428 0.368579 F\n0.334302 0.421219 0.648141 F\n0.377240 0.167085 0.125867 F\n0.598043 0.974367 0.892752 F\n0.127243 0.113539 0.444155 F\n0.619969 0.931441 0.579492 F\n0.588388 0.606470 0.045209 F\n0.065056 0.355513 0.904115 F\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Mg",
"Te",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mg-O-Te",
"density": 3.7719632270188312,
"density_atomic": 0.06640882327703683,
"volume": 346.339520338302,
"volume_molar": 9.068284096644078,
"formula_full": "Mg1 Te4 H4 O6 F8",
"formula_reduced": "MgTe4H4(O3F4)2",
"formula_anonymous": "AB4C4D6E8",
"energy": -117.2714356,
"energy_per_atom": -5.098758069565218,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -109.4534356,
"band_gap": 1.5272,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.296000Z",
"spacegroup": 1
},
{
"id": "mp-1178402",
"created_at": "2022-09-04T14:45:54.637500Z",
"structure_string": "Fe10 O4 F16\n1.0\n4.821447 0.000000 0.000000\n-0.019257 8.033018 0.000000\n-0.032033 -3.275350 9.593814\nFe O F\n10 4 16\ndirect\n0.484451 0.706531 0.106936 Fe\n0.515323 0.896819 0.702363 Fe\n0.485985 0.088098 0.297328 Fe\n0.513446 0.299091 0.910146 Fe\n0.519627 0.498270 0.504235 Fe\n0.986217 0.387834 0.191417 Fe\n0.031737 0.801360 0.392740 Fe\n0.988102 0.221307 0.605814 Fe\n0.968903 0.613948 0.793368 Fe\n0.967629 0.007886 0.985774 Fe\n0.804561 0.224873 0.014375 O\n0.814411 0.438922 0.627332 O\n0.806081 0.835989 0.820559 O\n0.298926 0.856957 0.288332 O\n0.816126 0.045740 0.430359 F\n0.805607 0.646318 0.230240 F\n0.723351 0.935545 0.120634 F\n0.698089 0.330607 0.320552 F\n0.708908 0.547394 0.923770 F\n0.702270 0.142793 0.710830 F\n0.713251 0.745758 0.510233 F\n0.292301 0.255241 0.486182 F\n0.292866 0.657648 0.680332 F\n0.289424 0.057190 0.875396 F\n0.294768 0.463636 0.084560 F\n0.195092 0.564489 0.388301 F\n0.188470 0.970107 0.583228 F\n0.202609 0.140623 0.165181 F\n0.193826 0.756243 0.968961 F\n0.197642 0.362783 0.780521 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.140097316711142,
"density_atomic": 0.0807372259036385,
"volume": 371.5758086090994,
"volume_molar": 7.4589394081827205,
"formula_full": "Fe10 O4 F16",
"formula_reduced": "Fe5(OF4)2",
"formula_anonymous": "A2B5C8",
"energy": -204.91535425,
"energy_per_atom": -6.830511808333333,
"energy_above_hull": null,
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"energy_uncorrected": -172.21535425,
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"is_magnetic": true,
"total_magnetization": 43.9999536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.789000Z",
"spacegroup": 1
},
{
"id": "mp-759995",
"created_at": "2022-09-04T14:45:54.670534Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n-9.730950 0.000000 0.000000\n4.824350 8.490590 0.000000\n-0.025942 -0.200919 -14.130826\nLi V P O\n10 6 16 58\ndirect\n0.098348 0.335234 0.062786 Li\n0.244026 0.344016 0.560637 Li\n0.099623 0.769884 0.557466 Li\n0.238862 0.901991 0.058538 Li\n0.662341 0.763549 0.056893 Li\n0.666999 0.908040 0.561237 Li\n0.766465 0.672572 0.438678 Li\n0.904006 0.668399 0.938921 Li\n0.024588 0.046850 0.995203 Li\n0.038275 0.048454 0.496897 Li\n0.435701 0.000944 0.253240 V\n0.562025 0.002917 0.753189 V\n0.435066 0.431773 0.752308 V\n0.561869 0.562979 0.248256 V\n0.998379 0.430709 0.249516 V\n0.001944 0.563092 0.744920 V\n0.087810 0.313558 0.844689 P\n0.227965 0.314373 0.343884 P\n0.087185 0.776140 0.339706 P\n0.332392 0.668225 0.130420 P\n0.338839 0.667472 0.631188 P\n0.222163 0.912599 0.843850 P\n0.301045 0.082047 0.661387 P\n0.687859 0.776250 0.840005 P\n0.304445 0.217291 0.161527 P\n0.690051 0.914710 0.345730 P\n0.777899 0.079992 0.161128 P\n0.669508 0.335715 0.366758 P\n0.669686 0.338395 0.868140 P\n0.915923 0.216639 0.661555 P\n0.771310 0.683434 0.656475 P\n0.911490 0.683678 0.157732 P\n0.015327 0.210429 0.582453 O\n0.089224 0.345755 0.328727 O\n0.193893 0.200592 0.083063 O\n0.259339 0.342478 0.829008 O\n0.085923 0.467452 0.831807 O\n0.187370 0.512585 0.165077 O\n0.087418 0.621319 0.329189 O\n0.997926 0.767772 0.069399 O\n0.078396 0.742362 0.830714 O\n0.329578 0.514288 0.674162 O\n0.384968 0.469232 0.329782 O\n0.190848 0.677189 0.667397 O\n0.336632 0.683334 0.025055 O\n0.340906 0.658449 0.525573 O\n0.322976 0.811735 0.177679 O\n0.530755 0.616872 0.825458 O\n0.487333 0.676458 0.169684 O\n0.257041 0.919431 0.334202 O\n0.206522 0.014265 0.760037 O\n0.190403 0.993055 0.581101 O\n0.206433 0.978949 0.936880 O\n0.376047 0.907176 0.830158 O\n0.490580 0.813669 0.672477 O\n0.339235 0.077434 0.159457 O\n0.530941 0.913718 0.328636 O\n0.663479 0.744947 0.336610 O\n0.212052 0.193954 0.260902 O\n0.215275 0.237146 0.436812 O\n0.765336 0.766976 0.568981 O\n0.340001 0.257599 0.660257 O\n0.453353 0.072722 0.667035 O\n0.657142 0.913538 0.838655 O\n0.518539 0.187524 0.317984 O\n0.616071 0.073904 0.172093 O\n0.789907 0.986100 0.080215 O\n0.768633 0.987246 0.438046 O\n0.803161 0.010791 0.259753 O\n0.744603 0.082727 0.658404 O\n0.518804 0.333092 0.819172 O\n0.458045 0.375189 0.168631 O\n0.668046 0.189953 0.822150 O\n0.660036 0.341146 0.972617 O\n0.660251 0.332183 0.471605 O\n0.809807 0.326757 0.322534 O\n0.616920 0.526933 0.672368 O\n0.674290 0.487794 0.326565 O\n0.915165 0.251901 0.158249 O\n0.985846 0.194288 0.760686 O\n0.026890 0.233127 0.936822 O\n0.921360 0.378890 0.671407 O\n0.814396 0.488236 0.828382 O\n0.911774 0.528348 0.172215 O\n0.740521 0.656339 0.157766 O\n0.772990 0.771805 0.928289 O\n0.796378 0.792760 0.748794 O\n0.916030 0.658035 0.654047 O\n0.005017 0.787280 0.428435 O\n0.996187 0.795431 0.249067 O\n",
"nsites": 90,
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"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5581386974396136,
"density_atomic": 0.07708712518487716,
"volume": 1167.5101358904492,
"volume_molar": 7.812122641176681,
"formula_full": "Li10 V6 P16 O58",
"formula_reduced": "Li5V3P8O29",
"formula_anonymous": "A3B5C8D29",
"energy": -683.28381562,
"energy_per_atom": -7.592042395777778,
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"updated_at": "2021-11-28T01:37:13.800000Z",
"spacegroup": 1
},
{
"id": "mp-766047",
"created_at": "2022-09-04T14:45:54.681735Z",
"structure_string": "K5 Li3 Ti8 As8 O40\n1.0\n6.687002 0.000000 0.000000\n0.071120 10.893687 0.000000\n0.011823 0.005611 13.196108\nK Li Ti As O\n5 3 8 8 40\ndirect\n0.310843 0.921708 0.105014 K\n0.712800 0.182438 0.109356 K\n0.199152 0.680721 0.392700 K\n0.800923 0.180812 0.608589 K\n0.298815 0.676649 0.885977 K\n0.561564 0.459109 0.396416 Li\n0.437572 0.959663 0.603347 Li\n0.937100 0.459745 0.896412 Li\n0.985145 0.488441 0.131280 Ti\n0.731209 0.743147 0.242950 Ti\n0.223205 0.242628 0.258119 Ti\n0.486570 0.988504 0.367997 Ti\n0.515016 0.489352 0.632990 Ti\n0.777646 0.744393 0.742909 Ti\n0.275683 0.243703 0.757933 Ti\n0.012485 0.990405 0.870277 Ti\n0.170008 0.231760 0.003265 As\n0.484550 0.484824 0.183173 As\n0.983993 0.984927 0.316863 As\n0.668525 0.730637 0.496632 As\n0.330971 0.231928 0.504717 As\n0.015151 0.484567 0.682454 As\n0.515439 0.984355 0.816874 As\n0.831069 0.732607 0.994684 As\n0.956364 0.592625 0.999577 O\n0.000566 0.350145 0.007526 O\n0.665748 0.751036 0.095079 O\n0.284522 0.515707 0.106571 O\n0.315505 0.221614 0.110754 O\n0.689721 0.444703 0.112721 O\n0.935476 0.613766 0.213135 O\n0.040778 0.359327 0.220313 O\n0.944639 0.866356 0.231640 O\n0.026362 0.109875 0.239345 O\n0.530119 0.605724 0.265338 O\n0.442859 0.370406 0.273087 O\n0.538219 0.859198 0.276971 O\n0.435546 0.110780 0.283858 O\n0.190814 0.945019 0.386408 O\n0.812788 0.723274 0.389160 O\n0.783118 0.014068 0.393680 O\n0.169586 0.248995 0.404068 O\n0.498407 0.848291 0.492831 O\n0.458682 0.093194 0.500562 O\n0.540277 0.592740 0.499798 O\n0.501950 0.348303 0.507211 O\n0.831846 0.747596 0.596247 O\n0.215014 0.514752 0.605925 O\n0.185493 0.225239 0.611726 O\n0.810549 0.444565 0.612286 O\n0.563099 0.612878 0.713896 O\n0.459289 0.358329 0.721007 O\n0.555805 0.870795 0.726414 O\n0.470059 0.104752 0.734145 O\n0.970103 0.604830 0.765602 O\n0.056038 0.370751 0.773147 O\n0.958109 0.859059 0.779451 O\n0.065488 0.112032 0.786872 O\n0.313474 0.944043 0.889571 O\n0.683174 0.724693 0.888090 O\n0.713072 0.014380 0.895030 O\n0.333609 0.249719 0.903191 O\n0.005863 0.845161 0.988988 O\n0.041837 0.095181 0.997749 O\n",
"nsites": 64,
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],
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"density": 3.176025500080717,
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"volume": 961.285092136641,
"volume_molar": 9.045303336463158,
"formula_full": "K5 Li3 Ti8 As8 O40",
"formula_reduced": "K5Li3Ti8(AsO5)8",
"formula_anonymous": "A3B5C8D8E40",
"energy": -473.32970434,
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"spacegroup": 1
},
{
"id": "mp-768577",
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{
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"structure_string": "Li8 Mn8 P16 O56\n1.0\n9.745085 0.000000 0.000000\n0.073006 9.824769 0.000000\n0.051639 2.343661 10.918850\nLi Mn P O\n8 8 16 56\ndirect\n0.109233 0.913696 0.023066 Li\n0.591230 0.587706 0.975996 Li\n0.922302 0.659421 0.464154 Li\n0.048562 0.370390 0.508934 Li\n0.114097 0.355371 0.042956 Li\n0.891484 0.094093 0.974647 Li\n0.580311 0.151521 0.468127 Li\n0.282972 0.104163 0.549138 Li\n0.932006 0.796897 0.673666 Mn\n0.228523 0.727352 0.838502 Mn\n0.713100 0.772764 0.169628 Mn\n0.423026 0.688979 0.337833 Mn\n0.571797 0.297540 0.675888 Mn\n0.288143 0.241657 0.828051 Mn\n0.772677 0.283687 0.164064 Mn\n0.073107 0.186354 0.331726 Mn\n0.447149 0.977293 0.753374 P\n0.714145 0.880626 0.882885 P\n0.933517 0.936114 0.243213 P\n0.154481 0.864538 0.430493 P\n0.641033 0.618834 0.571664 P\n0.418815 0.571762 0.754340 P\n0.053620 0.476854 0.755078 P\n0.211881 0.619307 0.119527 P\n0.785052 0.386365 0.882296 P\n0.940917 0.528568 0.244656 P\n0.568802 0.433539 0.244114 P\n0.347987 0.367840 0.424646 P\n0.856828 0.117304 0.577325 P\n0.075979 0.066364 0.759934 P\n0.291580 0.116277 0.114951 P\n0.563271 0.031516 0.239729 P\n0.424730 0.985345 0.620191 O\n0.852906 0.963264 0.570824 O\n0.091544 0.920543 0.732973 O\n0.344171 0.896996 0.844532 O\n0.592645 0.902348 0.783254 O\n0.828078 0.809162 0.820397 O\n0.659426 0.772741 0.997212 O\n0.259084 0.975975 0.093714 O\n0.074700 0.870753 0.301292 O\n0.938572 0.940635 0.107681 O\n0.556786 0.885513 0.202616 O\n0.292299 0.802046 0.409663 O\n0.819669 0.833191 0.301784 O\n0.058635 0.777302 0.527603 O\n0.563163 0.702710 0.461693 O\n0.301232 0.670853 0.694427 O\n0.784428 0.672972 0.585256 O\n0.044529 0.626481 0.786518 O\n0.559883 0.634781 0.694364 O\n0.417518 0.588543 0.886893 O\n0.750224 0.524271 0.909874 O\n0.164732 0.730914 0.004129 O\n0.325662 0.679650 0.186839 O\n0.083108 0.608556 0.213034 O\n0.575128 0.581640 0.272183 O\n0.833345 0.618119 0.162714 O\n0.083401 0.476406 0.624706 O\n0.332936 0.514067 0.443321 O\n0.643487 0.460747 0.570926 O\n0.926999 0.510659 0.381070 O\n0.150207 0.386713 0.852825 O\n0.408076 0.422248 0.733388 O\n0.907224 0.403810 0.782748 O\n0.674447 0.310086 0.825166 O\n0.848616 0.283369 0.998233 O\n0.235368 0.481407 0.087894 O\n0.584987 0.429971 0.110635 O\n0.423988 0.368585 0.295125 O\n0.947694 0.385213 0.201828 O\n0.206218 0.300540 0.411917 O\n0.680861 0.329657 0.310532 O\n0.434034 0.270068 0.523272 O\n0.946244 0.205417 0.474081 O\n0.189105 0.168437 0.694742 O\n0.714240 0.176609 0.587537 O\n0.456837 0.132593 0.782643 O\n0.071453 0.076078 0.893136 O\n0.932443 0.131519 0.702483 O\n0.746392 0.017211 0.911934 O\n0.335849 0.225284 0.999381 O\n0.172902 0.190145 0.175380 O\n0.414257 0.104583 0.211138 O\n0.664192 0.122080 0.149783 O\n0.920462 0.083275 0.274870 O\n0.168382 0.015073 0.444858 O\n0.586181 0.023641 0.372178 O\n",
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{
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"structure_string": "Na16 Cd8 O16\n1.0\n8.866407 -0.007185 -3.150167\n-4.433726 7.693552 -3.134121\n-0.017296 -0.010270 9.401679\nNa Cd O\n16 8 16\ndirect\n0.034815 0.490134 0.768215 Na\n0.233546 0.965848 0.509573 Na\n0.227489 0.274907 0.738308 Na\n0.011169 0.045574 0.269671 Na\n0.225182 0.450362 0.463649 Na\n0.043023 0.272840 0.009153 Na\n0.279709 0.746483 0.232472 Na\n0.728766 0.986011 0.950147 Na\n0.529512 0.762254 0.541980 Na\n0.499898 0.236171 0.957025 Na\n0.489928 0.768275 0.039654 Na\n0.450090 0.458786 0.225404 Na\n0.277976 0.015431 0.049627 Na\n0.732160 0.267434 0.783522 Na\n0.966261 0.733057 0.996294 Na\n0.775334 0.548862 0.535159 Na\n0.264943 0.770061 0.729805 Cd\n0.542004 0.538681 0.777937 Cd\n0.456100 0.224140 0.451404 Cd\n0.001335 0.962685 0.740363 Cd\n0.768064 0.721744 0.255122 Cd\n0.730168 0.216992 0.261323 Cd\n0.753389 0.030397 0.490504 Cd\n0.971612 0.514249 0.233955 Cd\n0.041855 0.755516 0.777789 O\n0.225750 0.975599 0.257817 O\n0.983219 0.988745 0.494895 O\n0.288942 0.542715 0.752289 O\n0.242544 0.714323 0.472618 O\n0.244377 0.212313 0.960711 O\n0.470245 0.262560 0.712170 O\n0.503664 0.492138 0.507937 O\n0.546142 0.753801 0.290078 O\n0.747603 0.772498 0.033220 O\n0.739665 0.269555 0.514605 O\n0.727125 0.471502 0.249418 O\n0.501842 0.001627 0.997442 O\n0.788839 0.027960 0.741292 O\n0.953383 0.252917 0.217884 O\n0.002333 0.504856 0.009567 O\n",
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{
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"structure_string": "Si20 H20 O30\n1.0\n8.500091 0.000000 0.000000\n-3.220951 -9.850703 0.000000\n-3.195003 0.655718 -12.102149\nSi H O\n20 20 30\ndirect\n0.899567 0.137797 0.122397 Si\n0.091867 0.369961 0.399051 Si\n0.184549 0.877301 0.923364 Si\n0.865106 0.585869 0.521280 Si\n0.037324 0.911577 0.255223 Si\n0.289167 0.584907 0.258002 Si\n0.949173 0.081851 0.755627 Si\n0.663317 0.410451 0.715806 Si\n0.439134 0.982083 0.190090 Si\n0.680873 0.494034 0.334022 Si\n0.560030 0.006770 0.806115 Si\n0.310972 0.489808 0.703847 Si\n0.610799 0.195962 0.447666 Si\n0.460063 0.235201 0.055736 Si\n0.377640 0.787789 0.552011 Si\n0.511929 0.702741 0.954581 Si\n0.224714 0.069947 0.495978 Si\n0.196536 0.416325 0.021840 Si\n0.777875 0.866805 0.538439 Si\n0.862348 0.632957 0.949333 Si\n0.963533 0.972418 0.928972 H\n0.577031 0.542081 0.559744 H\n0.252867 0.804397 0.255260 H\n0.596123 0.666796 0.237033 H\n0.192113 0.107864 0.162523 H\n0.411780 0.329630 0.309739 H\n0.683195 0.827864 0.839567 H\n0.549384 0.683504 0.685339 H\n0.950906 0.218709 0.954091 H\n0.325948 0.302151 0.472589 H\n0.856756 0.295588 0.226375 H\n0.200902 0.800082 0.752851 H\n0.836085 0.984903 0.473822 H\n0.897082 0.522794 0.018933 H\n0.981231 0.858747 0.708605 H\n0.935598 0.640225 0.787805 H\n0.695218 0.066754 0.338775 H\n0.815350 0.522998 0.192554 H\n0.333234 0.966384 0.635849 H\n0.264962 0.526381 0.879820 H\n0.073928 0.072047 0.178310 O\n0.261951 0.465679 0.354980 O\n0.043697 0.998665 0.881992 O\n0.672015 0.504223 0.585727 O\n0.250831 0.901519 0.243307 O\n0.543565 0.586925 0.275212 O\n0.755982 0.047500 0.780391 O\n0.489888 0.440134 0.730956 O\n0.372402 0.120287 0.143125 O\n0.532947 0.341776 0.346588 O\n0.583856 0.837980 0.859913 O\n0.428348 0.654179 0.644526 O\n0.419314 0.129849 0.467767 O\n0.354323 0.343365 0.056595 O\n0.579536 0.843288 0.535751 O\n0.686593 0.652224 0.962068 O\n0.010756 0.254363 0.029863 O\n0.204057 0.254337 0.464937 O\n0.026161 0.771186 0.975535 O\n0.815053 0.734997 0.499584 O\n0.948099 0.253469 0.236339 O\n0.106452 0.797428 0.785492 O\n0.090106 0.989932 0.379293 O\n0.208016 0.488911 0.141941 O\n0.890342 0.905875 0.673244 O\n0.830771 0.590985 0.812598 O\n0.585733 0.084194 0.329367 O\n0.751255 0.450384 0.231083 O\n0.411399 0.909787 0.671667 O\n0.354324 0.581904 0.838946 O\n",
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{
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"structure_string": "Gd7 Ti8 O26\n1.0\n5.942005 -0.014187 4.095540\n-0.134761 7.377074 12.450629\n-0.101548 0.037745 12.430038\nGd Ti O\n7 8 26\ndirect\n0.994743 0.253988 0.987653 Gd\n0.984016 0.529902 0.980974 Gd\n0.483196 0.995764 0.981773 Gd\n0.007076 0.744628 0.027234 Gd\n0.489003 0.488945 0.028322 Gd\n0.998416 0.232083 0.513750 Gd\n0.981714 0.765143 0.485909 Gd\n0.020583 0.995809 0.488900 Ti\n0.497164 0.290709 0.961196 Ti\n0.974545 0.531515 0.491194 Ti\n0.513438 0.746696 0.996922 Ti\n0.551120 0.240479 0.487126 Ti\n0.506431 0.500008 0.502294 Ti\n0.486547 0.714244 0.537649 Ti\n0.492967 0.993811 0.500618 Ti\n0.198507 0.177455 0.183023 O\n0.113399 0.503053 0.133320 O\n0.571277 0.202077 0.175246 O\n0.388803 0.217730 0.428445 O\n0.199681 0.648332 0.217893 O\n0.599019 0.495657 0.166556 O\n0.165443 0.506654 0.580177 O\n0.125128 0.005064 0.127351 O\n0.543026 0.305409 0.570698 O\n0.578083 0.692192 0.182029 O\n0.853097 0.208493 0.408236 O\n0.435830 0.721707 0.397120 O\n0.171276 0.796102 0.573107 O\n0.437843 0.282938 0.835530 O\n0.831304 0.484269 0.441092 O\n0.386980 0.501461 0.854513 O\n0.174094 0.000489 0.577627 O\n0.814853 0.316838 0.816314 O\n0.814435 0.718287 0.411287 O\n0.571455 0.816457 0.551003 O\n0.420405 0.788946 0.834893 O\n0.866727 0.503309 0.873449 O\n0.810600 0.004025 0.432521 O\n0.459844 0.996169 0.804219 O\n0.833782 0.795373 0.825839 O\n0.852863 0.000200 0.876142 O\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.956609 0.000000 0.000000\n-1.215938 4.938981 0.000000\n-0.741444 -1.063026 19.824871\nLi Mn Co O\n9 2 5 16\ndirect\n0.329085 0.576802 0.061793 Li\n0.933744 0.684640 0.187202 Li\n0.565389 0.810955 0.314572 Li\n0.183261 0.940898 0.436792 Li\n0.818637 0.060345 0.565339 Li\n0.444046 0.187382 0.689450 Li\n0.067080 0.297058 0.814363 Li\n0.650018 0.428964 0.931259 Li\n0.400908 0.893291 0.873601 Li\n0.999217 0.008068 0.993956 Mn\n0.500676 0.500825 0.501563 Mn\n0.616159 0.125965 0.124286 Co\n0.241916 0.243059 0.251236 Co\n0.861669 0.371148 0.376178 Co\n0.133482 0.624215 0.626954 Co\n0.765861 0.748829 0.754701 Co\n0.614587 0.251743 0.027644 O\n0.274168 0.387466 0.156000 O\n0.890986 0.502741 0.285178 O\n0.547419 0.636582 0.409352 O\n0.179500 0.767223 0.536705 O\n0.803118 0.875311 0.661979 O\n0.431896 0.004353 0.777176 O\n0.035168 0.157083 0.911569 O\n0.961632 0.869677 0.090485 O\n0.591224 0.986279 0.219627 O\n0.187737 0.112832 0.345031 O\n0.824405 0.235725 0.466342 O\n0.451472 0.359257 0.592292 O\n0.085600 0.490790 0.714539 O\n0.719114 0.597446 0.831321 O\n0.390822 0.763046 0.971518 O\n",
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}
]
}