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{
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"results": [
{
"id": "jvasp-97724",
"created_at": "2022-09-04T14:36:17.635274Z",
"updated_at": "2022-09-04T14:36:17.635294Z",
"structure_string": "K2 Eu2 P8 O24\n1.0\n7.251574 0.002924 0.000000\n-0.279939 7.989213 0.000000\n0.000000 0.000000 8.395713\nK Eu P O\n2 2 8 24\ndirect\n0.274581 0.722440 0.552857 K\n0.725418 0.277559 0.052857 K\n0.766424 0.756776 0.747731 Eu\n0.233575 0.243223 0.247732 Eu\n0.003663 0.379872 0.600598 P\n0.996336 0.620127 0.100599 P\n0.897550 0.899404 0.329864 P\n0.622740 0.402160 0.489278 P\n0.377259 0.597839 0.989278 P\n0.439419 0.102496 0.626252 P\n0.560580 0.897503 0.126252 P\n0.102449 0.100595 0.829864 P\n0.457605 0.715910 0.132407 O\n0.040611 0.922223 0.801328 O\n0.959388 0.077776 0.301328 O\n0.682507 0.874938 0.285194 O\n0.921804 0.823401 0.490789 O\n0.422831 0.029888 0.154630 O\n0.176759 0.388772 0.502758 O\n0.969610 0.526913 0.706134 O\n0.542394 0.284089 0.632407 O\n0.030389 0.473086 0.206134 O\n0.078196 0.176598 0.990788 O\n0.317830 0.073583 0.483697 O\n0.682169 0.926417 0.983697 O\n0.613814 0.580044 0.542697 O\n0.823240 0.611227 0.002758 O\n0.386185 0.419955 0.042697 O\n0.833112 0.346054 0.482154 O\n0.990467 0.208687 0.701254 O\n0.463181 0.649982 0.834375 O\n0.536818 0.350017 0.334376 O\n0.317492 0.125061 0.785193 O\n0.577168 0.970111 0.654630 O\n0.166887 0.653945 0.982153 O\n0.009533 0.791312 0.201254 O\n",
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],
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{
"id": "jvasp-48236",
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"updated_at": "2022-09-04T14:36:17.761120Z",
"structure_string": "Li4 Fe2 Si4 O12\n1.0\n0.000000 5.350511 0.125396\n4.747829 0.000000 0.000000\n0.000000 -0.524988 -9.697320\nLi Fe Si O\n4 2 4 12\ndirect\n0.648924 0.198018 0.336252 Li\n0.839763 0.699196 0.487896 Li\n0.160236 0.199195 0.512103 Li\n0.351075 0.698018 0.663747 Li\n0.731747 0.692685 0.137958 Fe\n0.268252 0.192685 0.862041 Fe\n0.115056 0.208498 0.177917 Si\n0.306767 0.706529 0.341667 Si\n0.693233 0.206529 0.658333 Si\n0.884944 0.708498 0.822083 Si\n0.871484 0.361688 0.786415 O\n0.721346 0.855048 0.681095 O\n0.400220 0.288683 0.673328 O\n0.803415 0.290156 0.513866 O\n0.196585 0.790157 0.486134 O\n0.259774 0.297025 0.046476 O\n0.278653 0.355048 0.318904 O\n0.128515 0.861688 0.213585 O\n0.825302 0.298178 0.184768 O\n0.174698 0.798178 0.815232 O\n0.599779 0.788683 0.326672 O\n0.740226 0.797025 0.953524 O\n",
"nsites": 22,
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"elements": [
"Li",
"Fe",
"Si",
"O"
],
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"density": 2.9952615511610685,
"density_atomic": 0.08941945064127596,
"volume": 246.0314824372765,
"volume_molar": 6.734710084676124,
"formula_full": "Li4 Fe2 Si4 O12",
"formula_reduced": "Li2Fe(SiO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 4
},
{
"id": "jvasp-42332",
"created_at": "2022-09-04T14:36:18.316694Z",
"updated_at": "2022-09-04T14:36:18.316727Z",
"structure_string": "Li4 Mn2 P4 H2 O16\n1.0\n0.000000 4.746533 0.008269\n8.246545 0.000000 0.000000\n0.000000 -1.900005 -7.311982\nLi Mn P H O\n4 2 4 2 16\ndirect\n0.364842 0.637478 0.902635 Li\n0.635156 0.137478 0.097365 Li\n0.854205 0.861075 0.403191 Li\n0.145793 0.361075 0.596808 Li\n0.252270 -0.001019 0.746789 Mn\n0.747729 0.498981 0.253210 Mn\n0.880740 0.855086 0.005445 P\n0.119258 0.355086 0.994555 P\n0.377582 0.641966 0.510748 P\n0.622416 0.141965 0.489251 P\n0.771045 0.491343 0.759796 H\n0.228953 0.991343 0.240204 H\n0.882202 0.335286 0.102027 O\n0.117796 0.835286 0.897973 O\n0.992242 0.444407 0.806820 O\n0.866528 0.027089 0.598530 O\n0.741460 0.307647 0.455823 O\n0.007756 0.944407 0.193179 O\n0.612833 0.662613 0.399645 O\n0.258538 0.807647 0.544177 O\n0.761852 0.692261 0.045657 O\n0.638235 0.972535 0.903533 O\n0.498948 0.552334 0.693891 O\n0.387166 0.162613 0.600355 O\n0.238146 0.192261 0.954342 O\n0.361764 0.472535 0.096466 O\n0.501050 0.052334 0.306109 O\n0.133470 0.527089 0.401470 O\n",
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"density_atomic": 0.09787483051515496,
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"volume_molar": 6.152900320034302,
"formula_full": "Li4 Mn2 P4 H2 O16",
"formula_reduced": "Li2MnP2HO8",
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},
{
"id": "jvasp-48884",
"created_at": "2022-09-04T14:36:19.566957Z",
"updated_at": "2022-09-04T14:36:19.566985Z",
"structure_string": "Li2 Cr2 C4 O12\n1.0\n0.000000 4.800337 0.162094\n7.784967 0.000000 0.000000\n0.000000 -2.489197 -6.011858\nLi Cr C O\n2 2 4 12\ndirect\n0.515561 0.952258 0.359515 Li\n0.484440 0.452258 0.640486 Li\n0.259034 0.994904 0.759107 Cr\n0.740966 0.494904 0.240894 Cr\n0.526907 0.735698 0.892118 C\n0.473094 0.235698 0.107883 C\n0.040986 0.753427 0.399441 C\n0.959014 0.253427 0.600560 C\n0.748725 0.746409 0.346310 O\n0.251276 0.246409 0.653691 O\n0.192963 0.895189 0.456154 O\n0.165732 0.608882 0.385677 O\n0.336674 0.372862 0.127690 O\n0.657657 0.585847 0.936510 O\n0.240669 0.755669 0.853834 O\n0.759332 0.255669 0.146167 O\n0.807038 0.395189 0.543847 O\n0.663326 0.872862 0.872311 O\n0.342344 0.085846 0.063491 O\n0.834268 0.108881 0.614324 O\n",
"nsites": 20,
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"elements": [
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"Cr",
"C",
"O"
],
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"density_atomic": 0.0902833367149884,
"volume": 221.52482094383757,
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"formula_full": "Li2 Cr2 C4 O12",
"formula_reduced": "LiCr(CO3)2",
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"spacegroup": 4
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{
"id": "jvasp-86014",
"created_at": "2022-09-04T14:36:20.528861Z",
"updated_at": "2022-09-04T14:36:20.528894Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140417 0.000000 -1.971804\n0.000000 6.612869 0.000000\n-0.016940 0.000000 8.534699\nK Eu Si S\n2 2 2 8\ndirect\n0.772367 0.693698 0.065778 K\n0.227633 0.193698 0.934223 K\n0.270653 0.210641 0.448845 Eu\n0.729348 0.710641 0.551156 Eu\n0.282882 0.677881 0.681721 Si\n0.717118 0.177881 0.318279 Si\n0.914360 0.129333 0.567664 S\n0.087218 0.677740 0.839367 S\n0.477582 0.942533 0.272040 S\n0.518768 0.443743 0.288522 S\n0.085641 0.629333 0.432336 S\n0.481232 0.943743 0.711478 S\n0.912783 0.177740 0.160634 S\n0.522418 0.442533 0.727960 S\n",
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"elements": [
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],
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"density_atomic": 0.04042303669741491,
"volume": 346.33716671996865,
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"formula_full": "K2 Eu2 Si2 S8",
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"spacegroup": 4
},
{
"id": "jvasp-42336",
"created_at": "2022-09-04T14:36:20.649537Z",
"updated_at": "2022-09-04T14:36:20.649571Z",
"structure_string": "Fe8 O10 F6\n1.0\n0.000000 5.863703 0.006178\n4.575048 0.000000 0.000000\n0.000000 -2.934464 -9.131100\nFe O F\n8 10 6\ndirect\n0.174313 0.452893 0.114921 Fe\n0.930644 0.530317 0.632338 Fe\n0.446861 0.511446 0.625751 Fe\n0.701895 0.517990 0.147309 Fe\n0.298105 0.017990 0.852690 Fe\n0.069356 0.030316 0.367662 Fe\n0.825688 0.952893 0.885079 Fe\n0.553139 0.011446 0.374248 Fe\n0.110030 0.175784 0.975125 O\n0.361938 0.209446 0.470612 O\n0.476569 0.295055 0.221952 O\n0.995413 0.294779 0.221376 O\n0.231039 0.332729 0.713891 O\n0.638062 0.709446 0.529388 O\n0.523431 0.795056 0.778048 O\n0.004587 0.794779 0.778624 O\n0.768961 0.832730 0.286109 O\n0.889971 0.675784 0.024875 O\n0.864958 0.238252 0.482633 F\n0.256649 0.770078 0.261234 F\n0.377498 0.671231 0.019463 F\n0.135042 0.738252 0.517367 F\n0.743351 0.270078 0.738766 F\n0.622502 0.171231 0.980537 F\n",
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"volume": 244.87454590064763,
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{
"id": "jvasp-97650",
"created_at": "2022-09-04T14:36:20.961294Z",
"updated_at": "2022-09-04T14:36:20.961321Z",
"structure_string": "H28 N4 O24\n1.0\n9.596275 0.000066 -0.014855\n0.001798 14.252735 -0.018568\n0.005491 0.003187 3.341468\nH N O\n28 4 24\ndirect\n0.497099 0.675721 0.027089 H\n0.737602 0.453661 0.834613 H\n0.689799 0.346758 0.867550 H\n0.658936 0.627559 0.998938 H\n0.874359 0.585161 0.915979 H\n0.809993 0.662084 0.620656 H\n0.127182 0.085184 0.583728 H\n0.191556 0.162062 0.879380 H\n0.342534 0.127619 0.500973 H\n0.311678 0.846715 0.632455 H\n0.131309 0.867709 0.261802 H\n0.263850 0.953621 0.665656 H\n0.566172 0.440758 0.273858 H\n0.410523 0.460950 0.404721 H\n0.870151 0.367782 0.238216 H\n0.019255 0.499980 0.353466 H\n0.894382 0.045012 0.489630 H\n-0.017808 -0.000074 0.146370 H\n0.590993 -0.039066 0.095439 H\n0.435377 0.940767 0.226487 H\n0.469626 0.071539 0.221654 H\n0.504327 0.175831 0.472951 H\n0.959863 0.821286 0.240857 H\n0.087794 0.792004 0.908215 H\n0.913714 0.292093 0.591581 H\n0.041608 0.321356 0.258838 H\n0.531904 0.571508 0.278531 H\n0.107149 0.544920 0.010221 H\n0.265011 0.337324 0.113295 N\n0.255707 0.675642 0.795403 N\n0.736466 0.837254 0.386569 N\n0.745760 0.175755 0.704265 N\n0.569732 0.638686 0.171615 O\n0.273735 0.900902 0.478522 O\n0.508405 0.482778 0.440608 O\n0.011435 0.527081 0.086192 O\n0.213767 0.103616 0.732922 O\n-0.009925 0.027137 0.413502 O\n0.493102 -0.017243 0.059642 O\n0.431754 0.138737 0.328402 O\n0.052432 0.846064 0.078708 O\n0.949055 0.346142 0.421206 O\n0.248509 0.411232 0.315758 O\n0.376588 0.314037 -0.042530 O\n0.723804 0.090850 0.631833 O\n0.752978 0.911187 0.184543 O\n0.155009 0.282160 0.068171 O\n0.351969 0.736859 0.859019 O\n0.649465 0.236972 0.640962 O\n0.846474 0.782046 0.431280 O\n0.137950 0.702924 0.659384 O\n0.863517 0.203026 0.840258 O\n0.624894 0.814009 0.542303 O\n0.787773 0.603634 0.766927 O\n0.277671 0.590745 0.867768 O\n0.727738 0.400949 0.021619 O\n",
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],
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"formula_full": "H28 N4 O24",
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"spacegroup": 4
},
{
"id": "jvasp-48458",
"created_at": "2022-09-04T14:36:21.253831Z",
"updated_at": "2022-09-04T14:36:21.253861Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 5.804903 -0.010893\n4.791449 0.000000 0.000000\n0.000000 -0.283571 -8.041623\nMn O F\n6 2 10\ndirect\n0.410142 0.471711 0.668240 Mn\n0.745848 0.517985 0.015828 Mn\n0.064633 0.518021 0.327104 Mn\n0.935367 0.018021 0.672896 Mn\n0.589857 0.971711 0.331759 Mn\n0.254152 0.017984 0.984171 Mn\n0.220496 0.193607 0.771777 O\n0.779504 0.693607 0.228222 O\n0.281925 0.812302 0.214473 F\n0.445917 0.702331 0.898158 F\n0.126885 0.695834 0.562128 F\n0.375412 0.292230 0.423942 F\n0.554083 0.202331 0.101841 F\n0.718075 0.312302 0.785526 F\n0.873115 0.195834 0.437871 F\n0.944728 0.795981 0.900905 F\n0.055272 0.295981 0.099094 F\n0.624587 0.792230 0.576057 F\n",
"nsites": 18,
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"elements": [
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"F"
],
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"density": 4.0949425473867676,
"density_atomic": 0.08047078207537,
"volume": 223.68367171007435,
"volume_molar": 7.48363642639832,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6363451818486592,
"spacegroup": 4
},
{
"id": "jvasp-99616",
"created_at": "2022-09-04T14:36:21.731726Z",
"updated_at": "2022-09-04T14:36:21.731752Z",
"structure_string": "Mn2 Si4 Ni2\n1.0\n4.516378 0.000000 0.000000\n0.000000 4.516740 0.064439\n0.000000 -0.005199 4.543325\nMn Si Ni\n2 4 2\ndirect\n0.358133 0.636761 0.611164 Mn\n0.858133 0.363239 0.388835 Mn\n0.661880 0.348654 0.905898 Si\n0.161879 0.651346 0.094101 Si\n0.342749 0.150940 0.416825 Si\n0.842749 0.849059 0.583174 Si\n0.637239 0.862510 0.104271 Ni\n0.137239 0.137490 0.895728 Ni\n",
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"spacegroup": 4
},
{
"id": "jvasp-104022",
"created_at": "2022-09-04T14:36:30.492885Z",
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