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{
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"results": [
{
"id": "mp-581738",
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"structure_string": "Cs12 Bi4 Se12\n1.0\n10.848795 0.000000 0.000000\n0.000000 10.848795 0.000000\n0.000000 0.000000 10.848795\nCs Bi Se\n12 4 12\ndirect\n0.180351 0.680351 0.819649 Cs\n0.311537 0.688463 0.188463 Cs\n0.930082 0.430082 0.069918 Cs\n0.811537 0.811537 0.811537 Cs\n0.430082 0.069918 0.930082 Cs\n0.680351 0.819649 0.180351 Cs\n0.569918 0.569918 0.569918 Cs\n0.819649 0.180351 0.680351 Cs\n0.688463 0.188463 0.311537 Cs\n0.069918 0.930082 0.430082 Cs\n0.188463 0.311537 0.688463 Cs\n0.319649 0.319649 0.319649 Cs\n0.528208 0.471792 0.971792 Bi\n0.028208 0.028208 0.028208 Bi\n0.971792 0.528208 0.471792 Bi\n0.471792 0.971792 0.528208 Bi\n0.292810 0.395426 0.995537 Se\n0.792810 0.104574 0.004463 Se\n0.707190 0.895426 0.504463 Se\n0.995537 0.292810 0.395426 Se\n0.895426 0.504463 0.707190 Se\n0.104574 0.004463 0.792810 Se\n0.207190 0.604574 0.495537 Se\n0.395426 0.995537 0.292810 Se\n0.604574 0.495537 0.207190 Se\n0.504463 0.707190 0.895426 Se\n0.004463 0.792810 0.104574 Se\n0.495537 0.207190 0.604574 Se\n",
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{
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"structure_string": "Hg12 P8 S32\n1.0\n11.041860 0.000000 0.000000\n0.000000 11.041860 0.000000\n0.000000 0.000000 11.041860\nHg P S\n12 8 32\ndirect\n0.127826 0.412827 0.279790 Hg\n0.372174 0.587173 0.779790 Hg\n0.872174 0.912827 0.220210 Hg\n0.279790 0.127826 0.412827 Hg\n0.627826 0.087173 0.720210 Hg\n0.779790 0.372174 0.587173 Hg\n0.220210 0.872174 0.912827 Hg\n0.720210 0.627826 0.087173 Hg\n0.412827 0.279790 0.127826 Hg\n0.912827 0.220210 0.872174 Hg\n0.087173 0.720210 0.627826 Hg\n0.587173 0.779790 0.372174 Hg\n0.414395 0.414395 0.414395 P\n0.085605 0.585605 0.914395 P\n0.585605 0.914395 0.085605 P\n0.914395 0.085605 0.585605 P\n0.133509 0.133509 0.133509 P\n0.366491 0.866491 0.633509 P\n0.866491 0.633509 0.366491 P\n0.633509 0.366491 0.866491 P\n0.518060 0.518060 0.518060 S\n0.981940 0.481940 0.018060 S\n0.481940 0.018060 0.981940 S\n0.018060 0.981940 0.481940 S\n0.026005 0.026005 0.026005 S\n0.473995 0.973995 0.526005 S\n0.973995 0.526005 0.473995 S\n0.526005 0.473995 0.973995 S\n0.013096 0.228438 0.242226 S\n0.486904 0.771562 0.742226 S\n0.986904 0.728438 0.257774 S\n0.242226 0.013096 0.228438 S\n0.513096 0.271562 0.757774 S\n0.742226 0.486904 0.771562 S\n0.257774 0.986904 0.728438 S\n0.757774 0.513096 0.271562 S\n0.228438 0.242226 0.013096 S\n0.728438 0.257774 0.986904 S\n0.271562 0.757774 0.513096 S\n0.771562 0.742226 0.486904 S\n0.024645 0.207049 0.682866 S\n0.475355 0.792951 0.182866 S\n0.975355 0.707049 0.817134 S\n0.682866 0.024645 0.207049 S\n0.524645 0.292951 0.317134 S\n0.182866 0.475355 0.792951 S\n0.817134 0.975355 0.707049 S\n0.317134 0.524645 0.292951 S\n0.207049 0.682866 0.024645 S\n0.707049 0.817134 0.975355 S\n0.292951 0.317134 0.524645 S\n0.792951 0.182866 0.475355 S\n",
"nsites": 52,
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"elements": [
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],
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"density_atomic": 0.03862572413240538,
"volume": 1346.2530779163867,
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"formula_full": "Hg12 P8 S32",
"formula_reduced": "Hg3(PS4)2",
"formula_anonymous": "A2B3C8",
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"updated_at": "2021-11-28T01:34:58.713000Z",
"spacegroup": 198
},
{
"id": "mp-1200563",
"created_at": "2022-09-04T14:40:57.466628Z",
"structure_string": "Ag28 As4 Se24\n1.0\n11.051446 0.000000 0.000000\n0.000000 11.051446 0.000000\n0.000000 0.000000 11.051446\nAg As Se\n28 4 24\ndirect\n0.227034 0.927366 0.896453 Ag\n0.103547 0.727034 0.572634 Ag\n0.427366 0.603547 0.772966 Ag\n0.727034 0.572634 0.103547 Ag\n0.603547 0.772966 0.427366 Ag\n0.927366 0.896453 0.227034 Ag\n0.772966 0.427366 0.603547 Ag\n0.896453 0.227034 0.927366 Ag\n0.572634 0.103547 0.727034 Ag\n0.272966 0.072634 0.396453 Ag\n0.396453 0.272966 0.072634 Ag\n0.072634 0.396453 0.272966 Ag\n0.010418 0.775869 0.982158 Ag\n0.017842 0.510418 0.724131 Ag\n0.275869 0.517842 0.989582 Ag\n0.510418 0.724131 0.017842 Ag\n0.517842 0.989582 0.275869 Ag\n0.775869 0.982158 0.010418 Ag\n0.989582 0.275869 0.517842 Ag\n0.982158 0.010418 0.775869 Ag\n0.724131 0.017842 0.510418 Ag\n0.489582 0.224131 0.482158 Ag\n0.482158 0.489582 0.224131 Ag\n0.224131 0.482158 0.489582 Ag\n0.348657 0.848657 0.651343 Ag\n0.848657 0.651343 0.348657 Ag\n0.651343 0.348657 0.848657 Ag\n0.151343 0.151343 0.151343 Ag\n0.751296 0.251296 0.248704 As\n0.251296 0.248704 0.751296 As\n0.248704 0.751296 0.251296 As\n0.748704 0.748704 0.748704 As\n0.876224 0.376224 0.123776 Se\n0.376224 0.123776 0.876224 Se\n0.123776 0.876224 0.376224 Se\n0.623776 0.623776 0.623776 Se\n0.362270 0.879265 0.121219 Se\n0.878781 0.862270 0.620735 Se\n0.379265 0.378781 0.637730 Se\n0.862270 0.620735 0.878781 Se\n0.378781 0.637730 0.379265 Se\n0.879265 0.121219 0.362270 Se\n0.637730 0.379265 0.378781 Se\n0.121219 0.362270 0.879265 Se\n0.620735 0.878781 0.862270 Se\n0.137730 0.120735 0.621219 Se\n0.621219 0.137730 0.120735 Se\n0.120735 0.621219 0.137730 Se\n0.216138 0.716138 0.783862 Se\n0.716138 0.783862 0.216138 Se\n0.783862 0.216138 0.716138 Se\n0.283862 0.283862 0.283862 Se\n0.483661 0.983661 0.516339 Se\n0.983661 0.516339 0.483661 Se\n0.516339 0.483661 0.983661 Se\n0.016339 0.016339 0.016339 Se\n",
"nsites": 56,
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"elements": [
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"As",
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],
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"density": 6.4157744891725175,
"density_atomic": 0.041488784276996295,
"volume": 1349.762374961889,
"volume_molar": 14.515105383164993,
"formula_full": "Ag28 As4 Se24",
"formula_reduced": "Ag7AsSe6",
"formula_anonymous": "AB6C7",
"energy": -197.48723351,
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"updated_at": "2021-11-28T01:35:11.165000Z",
"spacegroup": 198
},
{
"id": "mp-763149",
"created_at": "2022-09-04T14:40:57.891585Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.240890 0.000000 0.000000\n0.000000 6.240890 0.000000\n0.000000 0.000000 6.240890\nLi Mn F\n4 4 12\ndirect\n0.629653 0.629653 0.629653 Li\n0.370347 0.129653 0.870347 Li\n0.870347 0.370347 0.129653 Li\n0.129653 0.870347 0.370347 Li\n0.337249 0.337249 0.337249 Mn\n0.162751 0.662751 0.837249 Mn\n0.837249 0.162751 0.662751 Mn\n0.662751 0.837249 0.162751 Mn\n0.126073 0.990398 0.734457 F\n0.009602 0.234457 0.373927 F\n0.234457 0.373927 0.009602 F\n0.265543 0.626073 0.509602 F\n0.490398 0.765543 0.873927 F\n0.373927 0.009602 0.234457 F\n0.626073 0.509602 0.265543 F\n0.509602 0.265543 0.626073 F\n0.734457 0.126073 0.990398 F\n0.765543 0.873927 0.490398 F\n0.990398 0.734457 0.126073 F\n0.873927 0.490398 0.765543 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.2483088232629798,
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"volume": 243.074602220817,
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"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
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"spacegroup": 198
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{
"id": "mp-13749",
"created_at": "2022-09-04T14:40:58.263991Z",
"structure_string": "K36 Ni8 O28\n1.0\n11.021546 0.000000 0.000000\n0.000000 11.021546 0.000000\n0.000000 0.000000 11.021546\nO K Ni\n28 36 8\ndirect\n0.198209 0.301791 0.698209 O\n0.301791 0.698209 0.198209 O\n0.698209 0.198209 0.301791 O\n0.801791 0.801791 0.801791 O\n0.919753 0.557210 0.182567 O\n0.419753 0.942790 0.817433 O\n0.080247 0.057210 0.317433 O\n0.942790 0.817433 0.419753 O\n0.317433 0.080247 0.057210 O\n0.817433 0.419753 0.942790 O\n0.557210 0.182567 0.919753 O\n0.182567 0.919753 0.557210 O\n0.057210 0.317433 0.080247 O\n0.442790 0.682567 0.580247 O\n0.682567 0.580247 0.442790 O\n0.580247 0.442790 0.682567 O\n0.564911 0.658245 0.091588 O\n0.064911 0.841756 0.908413 O\n0.435088 0.158244 0.408413 O\n0.841756 0.908413 0.064911 O\n0.408413 0.435088 0.158244 O\n0.908413 0.064911 0.841756 O\n0.658245 0.091588 0.564911 O\n0.091588 0.564911 0.658245 O\n0.158244 0.408413 0.435088 O\n0.341756 0.591588 0.935088 O\n0.591588 0.935088 0.341756 O\n0.935088 0.341756 0.591588 O\n0.003646 0.289658 0.837943 K\n0.461124 0.217512 0.666012 K\n0.782488 0.166012 0.038876 K\n0.282488 0.333988 0.961124 K\n0.038876 0.782488 0.166012 K\n0.333988 0.961124 0.282488 K\n0.166012 0.038876 0.782488 K\n0.666012 0.461124 0.217512 K\n0.402266 0.402266 0.402266 K\n0.097734 0.597734 0.902266 K\n0.902266 0.097734 0.597734 K\n0.597734 0.902266 0.097734 K\n0.066098 0.066098 0.066098 K\n0.433902 0.933902 0.566098 K\n0.566098 0.433902 0.933902 K\n0.933902 0.566098 0.433902 K\n0.961124 0.282488 0.333988 K\n0.538876 0.717512 0.833988 K\n0.717512 0.833988 0.538876 K\n0.833988 0.538876 0.717512 K\n0.789658 0.662058 0.996354 K\n0.289658 0.837943 0.003646 K\n0.228619 0.228619 0.228619 K\n0.837943 0.003646 0.289658 K\n0.503646 0.210342 0.162057 K\n0.217512 0.666012 0.461124 K\n0.662058 0.996354 0.789658 K\n0.996354 0.789658 0.662058 K\n0.162057 0.503646 0.210342 K\n0.337943 0.496354 0.710342 K\n0.496354 0.710342 0.337943 K\n0.710342 0.337943 0.496354 K\n0.771381 0.728619 0.271381 K\n0.728619 0.271381 0.771381 K\n0.271381 0.771381 0.728619 K\n0.210342 0.162057 0.503646 K\n0.424905 0.075095 0.924905 Ni\n0.075095 0.924905 0.424905 Ni\n0.924905 0.424905 0.075095 Ni\n0.575095 0.575095 0.575095 Ni\n0.097042 0.402958 0.597042 Ni\n0.402958 0.597042 0.097042 Ni\n0.597042 0.097042 0.402958 Ni\n0.902959 0.902959 0.902959 Ni\n",
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"formula_full": "K36 Ni8 O28",
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{
"id": "mp-29638",
"created_at": "2022-09-04T14:40:59.197628Z",
"structure_string": "Bi4 Te4 Pt4\n1.0\n6.763606 0.000000 0.000000\n0.000000 6.763606 0.000000\n0.000000 0.000000 6.763606\nBi Te Pt\n4 4 4\ndirect\n0.368024 0.368024 0.368024 Bi\n0.131976 0.631976 0.868024 Bi\n0.868024 0.131976 0.631976 Bi\n0.631976 0.868024 0.131976 Bi\n0.627053 0.627053 0.627053 Te\n0.872947 0.372947 0.127053 Te\n0.127053 0.872947 0.372947 Te\n0.372947 0.127053 0.872947 Te\n0.005210 0.005210 0.005210 Pt\n0.494790 0.994790 0.505210 Pt\n0.505210 0.494790 0.994790 Pt\n0.994790 0.505210 0.494790 Pt\n",
"nsites": 12,
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],
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{
"id": "mp-769597",
"created_at": "2022-09-04T14:41:01.685075Z",
"structure_string": "Li8 Co4 Ge12 O32\n1.0\n8.300448 0.000000 0.000000\n0.000000 8.300448 0.000000\n0.000000 0.000000 8.300448\nLi Co Ge O\n8 4 12 32\ndirect\n0.000246 0.000246 0.000246 Li\n0.999754 0.500246 0.499754 Li\n0.125689 0.874311 0.374311 Li\n0.374311 0.125689 0.874311 Li\n0.500246 0.499754 0.999754 Li\n0.499754 0.999754 0.500246 Li\n0.625689 0.625689 0.625689 Li\n0.874311 0.374311 0.125689 Li\n0.248679 0.248679 0.248679 Co\n0.251321 0.751321 0.748679 Co\n0.748679 0.251321 0.751321 Co\n0.751321 0.748679 0.251321 Co\n0.130145 0.124593 0.627927 Ge\n0.124593 0.627927 0.130145 Ge\n0.127927 0.369855 0.875407 Ge\n0.375407 0.372073 0.630145 Ge\n0.372073 0.630145 0.375407 Ge\n0.369855 0.875407 0.127927 Ge\n0.627927 0.130145 0.124593 Ge\n0.630145 0.375407 0.372073 Ge\n0.624593 0.872073 0.869855 Ge\n0.875407 0.127927 0.369855 Ge\n0.869855 0.624593 0.872073 Ge\n0.872073 0.869855 0.624593 Ge\n0.128289 0.393338 0.102019 O\n0.136489 0.363511 0.636489 O\n0.147090 0.856447 0.119285 O\n0.106662 0.897981 0.628289 O\n0.102019 0.128289 0.393338 O\n0.119285 0.147090 0.856447 O\n0.143553 0.619285 0.352910 O\n0.111568 0.611568 0.888432 O\n0.393338 0.102019 0.128289 O\n0.388432 0.388432 0.388432 O\n0.352910 0.143553 0.619285 O\n0.356447 0.380715 0.852910 O\n0.363511 0.636489 0.136489 O\n0.380715 0.852910 0.356447 O\n0.371711 0.606662 0.602019 O\n0.397981 0.871711 0.893338 O\n0.636489 0.136489 0.363511 O\n0.628289 0.106662 0.897981 O\n0.619285 0.352910 0.143553 O\n0.602019 0.371711 0.606662 O\n0.606662 0.602019 0.371711 O\n0.647090 0.643553 0.880715 O\n0.611568 0.888432 0.111568 O\n0.643553 0.880715 0.647090 O\n0.856447 0.119285 0.147090 O\n0.888432 0.111568 0.611568 O\n0.852910 0.356447 0.380715 O\n0.893338 0.397981 0.871711 O\n0.897981 0.628289 0.106662 O\n0.880715 0.647090 0.643553 O\n0.871711 0.893338 0.397981 O\n0.863511 0.863511 0.863511 O\n",
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"updated_at": "2021-11-28T01:35:10.558000Z",
"spacegroup": 198
},
{
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{
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}