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{
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"results": [
{
"id": "mp-703865",
"created_at": "2022-09-04T14:43:16.114364Z",
"structure_string": "Rb4 Nb4 P4 S22\n1.0\n7.147721 0.000000 0.000000\n0.000000 7.134920 0.000000\n0.000000 2.821889 18.671610\nRb Nb P S\n4 4 4 22\ndirect\n0.751654 0.741862 0.995564 Rb\n0.243342 0.253425 0.003350 Rb\n0.752093 0.779111 0.506857 Rb\n0.252373 0.229327 0.494611 Rb\n0.048733 0.296156 0.754800 Nb\n0.551778 0.697860 0.246932 Nb\n0.946604 0.692378 0.243851 Nb\n0.454771 0.308066 0.754271 Nb\n0.749393 0.309527 0.890220 P\n0.755284 0.209800 0.627977 P\n0.252718 0.686259 0.105249 P\n0.256527 0.791550 0.372618 P\n0.255008 0.599231 0.730859 S\n0.253266 0.736957 0.478676 S\n0.478709 0.525805 0.143642 S\n0.755310 0.939190 0.188321 S\n0.244953 0.765283 0.002580 S\n0.251589 0.437891 0.651401 S\n0.749991 0.553971 0.345858 S\n0.747861 0.223194 0.997742 S\n0.749688 0.456810 0.673412 S\n0.249672 0.884709 0.176089 S\n0.252284 0.064620 0.810223 S\n0.990271 0.062211 0.667568 S\n0.018187 0.514206 0.142667 S\n0.751546 0.394708 0.266099 S\n0.756108 0.265230 0.519826 S\n0.512342 0.060182 0.664938 S\n0.980299 0.473530 0.857287 S\n0.520643 0.473874 0.859108 S\n0.011920 0.943350 0.332051 S\n0.751544 0.114288 0.826255 S\n0.244907 0.549515 0.322571 S\n0.477259 0.940758 0.333692 S\n",
"nsites": 34,
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"elements": [
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"Nb",
"P",
"S"
],
"chemical_system": "Nb-P-Rb-S",
"density": 2.690459058055931,
"density_atomic": 0.03570593823224992,
"volume": 952.2225625005674,
"volume_molar": 16.865936194783277,
"formula_full": "Rb4 Nb4 P4 S22",
"formula_reduced": "Rb2Nb2P2S11",
"formula_anonymous": "A2B2C2D11",
"energy": -194.2043451,
"energy_per_atom": -5.7118925029411765,
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"band_gap": 0.9816000000000004,
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"is_magnetic": false,
"total_magnetization": 0.0001762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.311000Z",
"spacegroup": 1
},
{
"id": "mp-1192452",
"created_at": "2022-09-04T14:43:06.066708Z",
"structure_string": "Rb2 Nb4 P2 Se20\n1.0\n8.104628 0.000000 0.000000\n0.000000 7.674377 0.000000\n0.000000 3.973423 13.188712\nRb Nb P Se\n2 4 2 20\ndirect\n0.489219 0.813505 0.308283 Rb\n0.510781 0.813505 0.808283 Rb\n0.059748 0.265278 0.332644 Nb\n0.940252 0.265278 0.832644 Nb\n0.060922 0.257478 0.039611 Nb\n0.939078 0.257478 0.539611 Nb\n0.404081 0.406341 0.159582 P\n0.595919 0.406341 0.659582 P\n0.139029 0.007135 0.499734 Se\n0.860971 0.007135 0.999734 Se\n0.163362 0.216396 0.693034 Se\n0.836638 0.216396 0.193034 Se\n0.394589 0.207508 0.068875 Se\n0.605411 0.207508 0.568875 Se\n0.141281 0.510714 0.143586 Se\n0.858719 0.510714 0.643586 Se\n0.060044 0.011322 0.225583 Se\n0.939956 0.011322 0.725583 Se\n0.118623 0.524989 0.425196 Se\n0.881377 0.524989 0.925196 Se\n0.405112 0.272214 0.327121 Se\n0.594888 0.272214 0.827121 Se\n0.598538 0.606308 0.110151 Se\n0.401462 0.606308 0.610151 Se\n0.149035 0.506024 0.865129 Se\n0.850965 0.506024 0.365129 Se\n0.134532 0.005968 0.950081 Se\n0.865468 0.005968 0.450081 Se\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"P",
"Se"
],
"chemical_system": "Nb-P-Rb-Se",
"density": 4.4204368474238676,
"density_atomic": 0.03413339064028297,
"volume": 820.3111227677284,
"volume_molar": 17.642960886788934,
"formula_full": "Rb2 Nb4 P2 Se20",
"formula_reduced": "RbNb2PSe10",
"formula_anonymous": "ABC2D10",
"energy": -148.78742721999998,
"energy_per_atom": -5.313836686428571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -139.34742722,
"band_gap": 0.9129999999999998,
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"updated_at": "2021-11-28T01:36:05.321000Z",
"spacegroup": 7
},
{
"id": "mp-559037",
"created_at": "2022-09-04T14:39:11.494604Z",
"structure_string": "Rb6 Nb12 S2 Br34\n1.0\n9.690396 8.912235 0.000000\n-9.690396 8.912235 0.000000\n0.000000 0.215757 9.593443\nRb Nb S Br\n6 12 2 34\ndirect\n0.167973 0.274562 0.832157 Rb\n0.544550 0.455450 0.750000 Rb\n0.274562 0.167973 0.332157 Rb\n0.725438 0.832027 0.667843 Rb\n0.455450 0.544550 0.250000 Rb\n0.832027 0.725438 0.167843 Rb\n0.301369 0.947413 0.738115 Nb\n0.382619 0.760086 0.856373 Nb\n0.803637 0.164250 0.019749 Nb\n0.617381 0.239914 0.143627 Nb\n0.835750 0.196363 0.480251 Nb\n0.164250 0.803637 0.519749 Nb\n0.760086 0.382619 0.356373 Nb\n0.239914 0.617381 0.643627 Nb\n0.947413 0.301369 0.238115 Nb\n0.052587 0.698631 0.761885 Nb\n0.196363 0.835750 0.980251 Nb\n0.698631 0.052587 0.261885 Nb\n0.777443 0.222557 0.250000 S\n0.222557 0.777443 0.750000 S\n0.640716 0.201224 0.880739 Br\n0.434872 0.309443 0.062190 Br\n0.881543 0.118457 0.750000 Br\n0.031127 0.255206 0.476693 Br\n0.489367 0.935008 0.816423 Br\n0.690557 0.565128 0.437810 Br\n0.438223 0.688966 0.604566 Br\n0.144362 0.362913 0.165613 Br\n0.349783 0.900911 0.474627 Br\n0.561777 0.311034 0.395434 Br\n0.362913 0.144362 0.665613 Br\n0.873052 0.009886 0.389506 Br\n0.900911 0.349783 0.974627 Br\n0.009886 0.873052 0.889506 Br\n0.118457 0.881543 0.250000 Br\n0.688966 0.438223 0.104566 Br\n0.064992 0.510633 0.683577 Br\n0.565128 0.690557 0.937810 Br\n0.255206 0.031127 0.976693 Br\n0.099089 0.650217 0.025373 Br\n0.990114 0.126948 0.110494 Br\n0.126948 0.990114 0.610494 Br\n0.650217 0.099089 0.525373 Br\n0.311034 0.561777 0.895434 Br\n0.201224 0.640716 0.380739 Br\n0.510633 0.064992 0.183577 Br\n0.309443 0.434872 0.562190 Br\n0.359284 0.798776 0.119261 Br\n0.968873 0.744794 0.523307 Br\n0.798776 0.359284 0.619261 Br\n0.855638 0.637087 0.834387 Br\n0.744794 0.968873 0.023307 Br\n0.935008 0.489367 0.316423 Br\n0.637087 0.855638 0.334387 Br\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"S",
"Br"
],
"chemical_system": "Br-Nb-Rb-S",
"density": 4.417862098842893,
"density_atomic": 0.0325882553131158,
"volume": 1657.0386932701674,
"volume_molar": 18.4794819548878,
"formula_full": "Rb6 Nb12 S2 Br34",
"formula_reduced": "Rb3Nb6SBr17",
"formula_anonymous": "AB3C6D17",
"energy": -272.41802418,
"energy_per_atom": -5.044778225555555,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -253.25602418,
"band_gap": 0.5826,
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"is_magnetic": false,
"total_magnetization": 0.00021,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.241000Z",
"spacegroup": 15
},
{
"id": "mp-556467",
"created_at": "2022-09-04T14:46:55.081247Z",
"structure_string": "Rb16 Nb8 S40 O4\n1.0\n7.965004 0.000000 0.000000\n0.000000 13.234905 0.000000\n0.000000 0.000000 18.478049\nRb Nb S O\n16 8 40 4\ndirect\n0.290811 0.062858 0.516928 Rb\n0.709189 0.562858 0.516928 Rb\n0.833682 0.266070 0.384627 Rb\n0.352877 0.093748 0.812462 Rb\n0.315803 0.739014 0.651188 Rb\n0.315803 0.760986 0.151188 Rb\n0.833682 0.233930 0.884627 Rb\n0.684197 0.239014 0.651188 Rb\n0.166318 0.733930 0.884627 Rb\n0.647123 0.906252 0.312462 Rb\n0.352877 0.406252 0.312462 Rb\n0.290811 0.437142 0.016928 Rb\n0.709189 0.937142 0.016928 Rb\n0.684197 0.260986 0.151188 Rb\n0.647123 0.593748 0.812462 Rb\n0.166318 0.766070 0.384627 Rb\n0.242054 0.459114 0.744350 Nb\n0.718906 0.897169 0.556608 Nb\n0.757946 0.959114 0.744350 Nb\n0.281094 0.102831 0.056608 Nb\n0.757946 0.540886 0.244350 Nb\n0.242054 0.040886 0.244350 Nb\n0.281094 0.397169 0.556608 Nb\n0.718906 0.602831 0.056608 Nb\n0.461400 0.347898 0.800227 S\n0.070979 0.263133 0.573080 S\n0.747184 0.433317 0.001879 S\n0.094404 0.459685 0.455653 S\n0.094404 0.040315 0.955653 S\n0.756477 0.728054 0.157147 S\n0.536668 0.986517 0.648427 S\n0.227916 0.339793 0.850379 S\n0.463332 0.486517 0.648427 S\n0.243523 0.228054 0.157147 S\n0.934206 0.064168 0.231665 S\n0.491111 0.325396 0.491075 S\n0.538600 0.847898 0.800227 S\n0.065794 0.564168 0.231665 S\n0.756477 0.771946 0.657147 S\n0.252816 0.566683 0.501879 S\n0.772084 0.660207 0.350379 S\n0.065794 0.935832 0.731665 S\n0.491111 0.174604 0.991075 S\n0.929021 0.763133 0.573080 S\n0.772084 0.839793 0.850379 S\n0.953536 0.009320 0.644369 S\n0.508889 0.825396 0.491075 S\n0.461400 0.152102 0.300227 S\n0.252816 0.933317 0.001879 S\n0.070979 0.236867 0.073080 S\n0.046464 0.990680 0.144369 S\n0.243523 0.271946 0.657147 S\n0.536668 0.513483 0.148427 S\n0.929021 0.736867 0.073080 S\n0.905596 0.540315 0.955653 S\n0.538600 0.652102 0.300227 S\n0.508889 0.674604 0.991075 S\n0.747184 0.066683 0.501879 S\n0.463332 0.013483 0.148427 S\n0.046464 0.509320 0.644369 S\n0.934206 0.435832 0.731665 S\n0.953536 0.490680 0.144369 S\n0.905596 0.959685 0.455653 S\n0.227916 0.160207 0.350379 S\n0.728614 0.076978 0.790755 O\n0.271386 0.576978 0.790755 O\n0.271386 0.923022 0.290755 O\n0.728614 0.423022 0.290755 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Rb",
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"S",
"O"
],
"chemical_system": "Nb-O-Rb-S",
"density": 2.9473208966516897,
"density_atomic": 0.03490968835001505,
"volume": 1947.8833302151402,
"volume_molar": 17.250628821489904,
"formula_full": "Rb16 Nb8 S40 O4",
"formula_reduced": "Rb4Nb2S10O",
"formula_anonymous": "AB2C4D10",
"energy": -375.43451325,
"energy_per_atom": -5.521095783088235,
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"updated_at": "2021-11-28T01:37:47.224000Z",
"spacegroup": 29
},
{
"id": "mp-562977",
"created_at": "2022-09-04T14:39:47.371956Z",
"structure_string": "Rb4 Nb4 S8 O36\n1.0\n5.254803 0.000000 0.000000\n0.000000 9.080042 0.000000\n0.000000 0.000000 17.674944\nRb Nb S O\n4 4 8 36\ndirect\n0.750000 0.671108 0.065020 Rb\n0.250000 0.171108 0.434980 Rb\n0.750000 0.828892 0.565020 Rb\n0.250000 0.328892 0.934980 Rb\n0.750000 0.579344 0.309675 Nb\n0.250000 0.079344 0.190325 Nb\n0.750000 0.920656 0.809675 Nb\n0.250000 0.420656 0.690325 Nb\n0.750000 0.977243 0.304857 S\n0.750000 0.369067 0.569576 S\n0.250000 0.630933 0.430424 S\n0.250000 0.022757 0.695143 S\n0.250000 0.869067 0.930424 S\n0.750000 0.130933 0.069576 S\n0.750000 0.522757 0.804857 S\n0.250000 0.477243 0.195143 S\n0.750000 0.521240 0.546571 O\n0.250000 0.757272 0.988888 O\n0.750000 0.101599 0.840420 O\n0.750000 0.978760 0.046571 O\n0.019495 0.936198 0.723071 O\n0.250000 0.168273 0.731329 O\n0.023055 0.662866 0.377799 O\n0.750000 0.668273 0.768671 O\n0.019495 0.563802 0.223071 O\n0.519495 0.436198 0.776929 O\n0.976945 0.337134 0.622201 O\n0.750000 0.257272 0.511112 O\n0.250000 0.742728 0.488888 O\n0.750000 0.979036 0.386789 O\n0.523055 0.162866 0.122201 O\n0.480505 0.936198 0.723071 O\n0.250000 0.331727 0.231329 O\n0.476945 0.662866 0.377799 O\n0.750000 0.831727 0.268671 O\n0.476945 0.837134 0.877799 O\n0.980505 0.063802 0.276929 O\n0.523055 0.337134 0.622201 O\n0.250000 0.020964 0.613211 O\n0.750000 0.242728 0.011112 O\n0.750000 0.398401 0.340420 O\n0.023055 0.837134 0.877799 O\n0.250000 0.478760 0.453429 O\n0.976945 0.162866 0.122201 O\n0.750000 0.520964 0.886789 O\n0.250000 0.479036 0.113211 O\n0.480505 0.563802 0.223071 O\n0.250000 0.601599 0.659580 O\n0.519495 0.063802 0.276929 O\n0.250000 0.021240 0.953429 O\n0.250000 0.898401 0.159580 O\n0.980505 0.436198 0.776929 O\n",
"nsites": 52,
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"elements": [
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"density": 3.0440716689142286,
"density_atomic": 0.061659642247988714,
"volume": 843.3393075954183,
"volume_molar": 9.766746189962587,
"formula_full": "Rb4 Nb4 S8 O36",
"formula_reduced": "RbNbS2O9",
"formula_anonymous": "ABC2D9",
"energy": -373.552879,
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"updated_at": "2021-11-28T01:34:23.300000Z",
"spacegroup": 62
},
{
"id": "mp-557778",
"created_at": "2022-09-04T14:42:13.206863Z",
"structure_string": "Rb12 Nb12 Si12 O60\n1.0\n7.418742 0.000000 0.000000\n0.000000 10.465490 0.000000\n0.000000 0.000000 20.488428\nRb Nb Si O\n12 12 12 60\ndirect\n0.721042 0.617647 0.017896 Rb\n0.741091 0.616127 0.348028 Rb\n0.742503 0.686519 0.667438 Rb\n0.242503 0.813481 0.332562 Rb\n0.257497 0.186519 0.832562 Rb\n0.778958 0.382353 0.517896 Rb\n0.241091 0.883873 0.651972 Rb\n0.758909 0.383873 0.848028 Rb\n0.278958 0.117647 0.482104 Rb\n0.757497 0.313481 0.167438 Rb\n0.258909 0.116127 0.151972 Rb\n0.221042 0.882353 0.982104 Rb\n0.514299 0.266924 0.999512 Nb\n0.265312 0.480192 0.424349 Nb\n0.985701 0.733076 0.499512 Nb\n0.014299 0.233076 0.000488 Nb\n0.734688 0.980192 0.075651 Nb\n0.241293 0.484234 0.104013 Nb\n0.234688 0.519808 0.924349 Nb\n0.485701 0.766924 0.500488 Nb\n0.258707 0.515766 0.604013 Nb\n0.758706 0.984234 0.395987 Nb\n0.741294 0.015766 0.895987 Nb\n0.765312 0.019808 0.575651 Nb\n0.566189 0.268775 0.350261 Si\n0.022868 0.757214 0.149448 Si\n0.522868 0.742786 0.850552 Si\n0.765435 0.122568 0.729505 Si\n0.066189 0.231225 0.649739 Si\n0.234565 0.622568 0.770495 Si\n0.933811 0.731225 0.850261 Si\n0.265435 0.377432 0.270495 Si\n0.977132 0.257214 0.350552 Si\n0.734565 0.877432 0.229505 Si\n0.433811 0.768775 0.149739 Si\n0.477132 0.242786 0.649448 Si\n0.924275 0.877179 0.566873 O\n0.946804 0.122164 0.926959 O\n0.743795 0.996239 0.178599 O\n0.075725 0.377179 0.933127 O\n0.571561 0.143799 0.923181 O\n0.734204 0.934146 0.984916 O\n0.977031 0.144981 0.592065 O\n0.593531 0.222855 0.717904 O\n0.756205 0.003761 0.678599 O\n0.428439 0.643799 0.576819 O\n0.544107 0.894394 0.865456 O\n0.924677 0.831632 0.090030 O\n0.765206 0.315064 0.001045 O\n0.567719 0.119077 0.368445 O\n0.093531 0.277145 0.282096 O\n0.044053 0.704793 0.780948 O\n0.265796 0.434146 0.515084 O\n0.740492 0.909123 0.306422 O\n0.071561 0.356201 0.076819 O\n0.906469 0.777145 0.217904 O\n0.406469 0.722855 0.782096 O\n0.455893 0.394394 0.634544 O\n0.265206 0.184936 0.998955 O\n0.234204 0.565854 0.015084 O\n0.274911 0.179057 0.664372 O\n0.259508 0.409123 0.193578 O\n0.225089 0.820943 0.164372 O\n0.558457 0.898718 0.564265 O\n0.759508 0.090877 0.806422 O\n0.477031 0.355019 0.407935 O\n0.725089 0.679057 0.835628 O\n0.765796 0.065854 0.484916 O\n0.075323 0.331632 0.409970 O\n0.544053 0.795207 0.219052 O\n0.522969 0.855019 0.092065 O\n0.044107 0.605606 0.134544 O\n0.928439 0.856201 0.423181 O\n0.575323 0.168368 0.590030 O\n0.955893 0.105606 0.365456 O\n0.432281 0.619077 0.131555 O\n0.955947 0.204793 0.719052 O\n0.575725 0.122821 0.066873 O\n0.067719 0.380923 0.631555 O\n0.256205 0.496239 0.321401 O\n0.424677 0.668368 0.909970 O\n0.234794 0.815064 0.498955 O\n0.941543 0.101282 0.064265 O\n0.774911 0.320943 0.335628 O\n0.734794 0.684936 0.501045 O\n0.058457 0.601282 0.435735 O\n0.455947 0.295207 0.280948 O\n0.932281 0.880923 0.868445 O\n0.424275 0.622821 0.433127 O\n0.022969 0.644981 0.907935 O\n0.553196 0.877836 0.426959 O\n0.243795 0.503761 0.821401 O\n0.240492 0.590877 0.693578 O\n0.446804 0.377836 0.073041 O\n0.053196 0.622164 0.573041 O\n0.441543 0.398718 0.935735 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"Si",
"O"
],
"chemical_system": "Nb-O-Rb-Si",
"density": 3.588317183050704,
"density_atomic": 0.06034937268790732,
"volume": 1590.7373303854786,
"volume_molar": 9.978795953924976,
"formula_full": "Rb12 Nb12 Si12 O60",
"formula_reduced": "RbNbSiO5",
"formula_anonymous": "ABCD5",
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"updated_at": "2021-11-28T01:35:41.527000Z",
"spacegroup": 19
},
{
"id": "mp-1219967",
"created_at": "2022-09-04T14:46:41.761917Z",
"structure_string": "Rb16 Nb16 Si16 O80\n1.0\n5.207698 20.421745 0.000000\n-5.207698 20.421745 0.000000\n0.000000 2.654666 10.071169\nRb Nb Si O\n16 16 16 80\ndirect\n0.990185 0.399373 0.555103 Rb\n0.740148 0.149450 0.305374 Rb\n0.600627 0.009815 0.444897 Rb\n0.850550 0.259852 0.694626 Rb\n0.795168 0.704755 0.763221 Rb\n0.295245 0.204832 0.236779 Rb\n0.532029 0.467971 0.000000 Rb\n0.058394 0.941606 0.500000 Rb\n0.097719 0.506890 0.947940 Rb\n0.347787 0.756817 0.197521 Rb\n0.493110 0.902281 0.052060 Rb\n0.243183 0.652213 0.802479 Rb\n0.626782 0.625026 0.399751 Rb\n0.895500 0.856307 0.079735 Rb\n0.143693 0.104500 0.920265 Rb\n0.374974 0.373218 0.600249 Rb\n0.960109 0.604679 0.332707 Nb\n0.194840 0.368623 0.602273 Nb\n0.961566 0.101873 0.101060 Nb\n0.693363 0.371450 0.335787 Nb\n0.631377 0.805160 0.397727 Nb\n0.395321 0.039891 0.667293 Nb\n0.898127 0.038433 0.898940 Nb\n0.628550 0.306637 0.664213 Nb\n0.875600 0.552006 0.153898 Nb\n0.143722 0.285263 0.918802 Nb\n0.142144 0.785504 0.151999 Nb\n0.377187 0.551760 0.418781 Nb\n0.714737 0.856278 0.081198 Nb\n0.447994 0.124400 0.846102 Nb\n0.214496 0.857856 0.848001 Nb\n0.448240 0.622813 0.581219 Nb\n0.765012 0.907161 0.764145 Si\n0.497206 0.174951 0.063247 Si\n0.530778 0.641423 0.798130 Si\n0.231662 0.940472 0.530370 Si\n0.825049 0.502794 0.936753 Si\n0.092839 0.234988 0.235855 Si\n0.358577 0.469222 0.201870 Si\n0.059528 0.768338 0.469630 Si\n0.613522 0.720940 0.718413 Si\n0.311188 0.023343 0.447714 Si\n0.576935 0.257559 0.983706 Si\n0.847611 0.986887 0.681314 Si\n0.976657 0.688812 0.552286 Si\n0.279060 0.386478 0.281587 Si\n0.742441 0.423065 0.016294 Si\n0.013113 0.152389 0.318686 Si\n0.814129 0.819059 0.903464 O\n0.409156 0.223356 0.964078 O\n0.391919 0.740637 0.886071 O\n0.331931 0.801217 0.481133 O\n0.776644 0.590844 0.035922 O\n0.180941 0.185871 0.096536 O\n0.259363 0.608081 0.113929 O\n0.198783 0.668069 0.518867 O\n0.061729 0.471323 0.483478 O\n0.811752 0.221303 0.233481 O\n0.528677 0.938271 0.516522 O\n0.778697 0.188248 0.766519 O\n0.565180 0.974861 0.979939 O\n0.315138 0.724902 0.729979 O\n0.025139 0.434820 0.020061 O\n0.275098 0.684862 0.270021 O\n0.518490 0.858215 0.765285 O\n0.448895 0.927158 0.358286 O\n0.529976 0.346753 0.846484 O\n0.936945 0.939096 0.777553 O\n0.072842 0.551105 0.641714 O\n0.141785 0.481510 0.234715 O\n0.653247 0.470024 0.153516 O\n0.060904 0.063055 0.222447 O\n0.796067 0.704432 0.055500 O\n0.295568 0.203933 0.944500 O\n0.239178 0.760822 0.000000 O\n0.350668 0.649332 0.500000 O\n0.722522 0.672311 0.286714 O\n0.262110 0.132534 0.818918 O\n0.008427 0.886390 0.032537 O\n0.476238 0.418421 0.572294 O\n0.867466 0.737890 0.181082 O\n0.327689 0.277478 0.713286 O\n0.113610 0.991573 0.967463 O\n0.581579 0.523762 0.427706 O\n0.794838 0.705666 0.428684 O\n0.294334 0.205162 0.571316 O\n0.866042 0.133958 0.000000 O\n0.723901 0.276099 0.500000 O\n0.834484 0.818864 0.639431 O\n0.409253 0.244017 0.207275 O\n0.655759 0.497514 0.885963 O\n0.087994 0.065350 0.460740 O\n0.755983 0.590747 0.792725 O\n0.181136 0.165516 0.360569 O\n0.502486 0.344241 0.114037 O\n0.934650 0.912006 0.539260 O\n0.605559 0.043621 0.749513 O\n0.634461 0.015195 0.101014 O\n0.545916 0.603767 0.660831 O\n0.193916 0.955226 0.689778 O\n0.984805 0.365539 0.898986 O\n0.956379 0.394441 0.250487 O\n0.396233 0.454084 0.339169 O\n0.044774 0.806084 0.310222 O\n0.612605 0.897194 0.244192 O\n0.487055 0.022662 0.746109 O\n0.051058 0.958683 0.807826 O\n0.549201 0.460573 0.682311 O\n0.977338 0.512945 0.253891 O\n0.102806 0.387395 0.755808 O\n0.041317 0.948942 0.192174 O\n0.539427 0.450799 0.317689 O\n0.936660 0.703127 0.419219 O\n0.293985 0.346547 0.440874 O\n0.876683 0.263826 0.001277 O\n0.854313 0.285504 0.358579 O\n0.653453 0.706015 0.559126 O\n0.296873 0.063340 0.580781 O\n0.736174 0.123317 0.998723 O\n0.714496 0.145687 0.641421 O\n0.777515 0.469234 0.006309 O\n0.060445 0.186274 0.245875 O\n0.288952 0.457801 0.235522 O\n0.049402 0.697316 0.518484 O\n0.542199 0.711048 0.764478 O\n0.302684 0.950598 0.481516 O\n0.530766 0.222485 0.993691 O\n0.813726 0.939555 0.754125 O\n",
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"elements": [
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"O"
],
"chemical_system": "Nb-O-Rb-Si",
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"volume": 2142.1432980992477,
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"formula_full": "Rb16 Nb16 Si16 O80",
"formula_reduced": "RbNbSiO5",
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"updated_at": "2021-11-28T01:37:45.420000Z",
"spacegroup": 5
},
{
"id": "mp-542121",
"created_at": "2022-09-04T14:45:17.455653Z",
"structure_string": "Rb4 Nb2 Si8 O23\n1.0\n-6.997064 0.000000 0.000000\n2.505200 7.520164 0.000000\n-0.162401 -2.727998 -10.843703\nRb Nb Si O\n4 2 8 23\ndirect\n0.318052 0.280713 0.644489 Rb\n0.681948 0.719287 0.355511 Rb\n0.289746 0.220204 0.990129 Rb\n0.710254 0.779796 0.009871 Rb\n0.785992 0.258712 0.816834 Nb\n0.214008 0.741288 0.183166 Nb\n0.498048 0.194074 0.300821 Si\n0.501952 0.805926 0.699179 Si\n0.948492 0.867369 0.714402 Si\n0.051508 0.132631 0.285598 Si\n0.843350 0.298368 0.500860 Si\n0.156650 0.701632 0.499140 Si\n0.167005 0.672492 0.869228 Si\n0.832995 0.327508 0.130772 Si\n0.455635 0.977882 0.245365 O\n0.544365 0.022118 0.754635 O\n0.623838 0.312251 0.205560 O\n0.376162 0.687749 0.794440 O\n0.623096 0.275432 0.436930 O\n0.376904 0.724568 0.563070 O\n0.292129 0.250451 0.325323 O\n0.707871 0.749549 0.674677 O\n0.980971 0.075819 0.782840 O\n0.019029 0.924181 0.217160 O\n0.027682 0.759723 0.801498 O\n0.972318 0.240277 0.198502 O\n0.067644 0.855503 0.585185 O\n0.932356 0.144497 0.414815 O\n0.000000 0.500000 0.500000 O\n0.817125 0.268131 0.636858 O\n0.182875 0.731869 0.363142 O\n0.056475 0.455696 0.858278 O\n0.943525 0.544304 0.141722 O\n0.220424 0.791350 0.010743 O\n0.779576 0.208650 0.989257 O\n0.625484 0.399060 0.852264 O\n0.374516 0.600940 0.147736 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
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],
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"density": 3.2604958843676273,
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"formula_full": "Rb4 Nb2 Si8 O23",
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"energy": -295.88286502,
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"updated_at": "2021-11-28T01:36:58.866000Z",
"spacegroup": 2
},
{
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{
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{
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}
]
}