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{
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{
"id": "mp-1229272",
"created_at": "2022-09-04T14:39:21.298892Z",
"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n0.000000 0.000000 5.463259\n10.719602 7.376540 0.000000\n-9.997830 6.204830 0.000000\nAg Sb Pb S\n2 6 2 12\ndirect\n0.384285 0.943524 0.256470 Ag\n0.615715 0.443524 0.756470 Ag\n0.638338 0.703243 0.044303 Sb\n0.711937 0.772476 0.499010 Sb\n0.280970 0.549500 0.244331 Sb\n0.719030 0.049500 0.744331 Sb\n0.288063 0.272476 0.999010 Sb\n0.361662 0.203243 0.544303 Sb\n0.662810 0.255660 0.287086 Pb\n0.337190 0.755660 0.787086 Pb\n0.540840 0.102259 0.955612 S\n0.519510 0.373571 0.530884 S\n0.480490 0.873571 0.030884 S\n0.459160 0.602259 0.455612 S\n0.192082 0.290185 0.209949 S\n0.807918 0.790185 0.709949 S\n0.592631 0.432866 0.090960 S\n0.407369 0.932866 0.590960 S\n0.348134 0.589104 0.887606 S\n0.651866 0.089104 0.387606 S\n0.411440 0.737612 0.243788 S\n0.588560 0.237612 0.743788 S\n",
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{
"id": "mp-1044001",
"created_at": "2022-09-04T14:39:21.434036Z",
"structure_string": "La2 Mg2 Fe2 Mo2 O12\n1.0\n5.624527 0.000000 0.000000\n0.000000 5.451969 0.000000\n0.000000 5.313044 7.835549\nLa Mg Fe Mo O\n2 2 2 2 12\ndirect\n0.295443 0.233936 0.753422 La\n0.704557 0.233936 0.253422 La\n0.803960 0.776700 0.750986 Mg\n0.196040 0.776700 0.250986 Mg\n0.749442 0.997706 0.001052 Fe\n0.250558 0.997706 0.501052 Fe\n0.755615 0.498203 0.503217 Mo\n0.244385 0.498203 0.003217 Mo\n0.279651 0.393841 0.248130 O\n0.443935 0.111818 0.067136 O\n0.446936 0.747289 0.437041 O\n0.553064 0.747289 0.937041 O\n0.556065 0.111818 0.567136 O\n0.720349 0.393841 0.748130 O\n0.807580 0.658522 0.249542 O\n0.982886 0.855933 0.432030 O\n0.966021 0.226051 0.057442 O\n0.033979 0.226051 0.557442 O\n0.017114 0.855933 0.932030 O\n0.192420 0.658522 0.749542 O\n",
"nsites": 20,
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"formula_full": "La2 Mg2 Fe2 Mo2 O12",
"formula_reduced": "LaMgFeMoO6",
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"spacegroup": 7
},
{
"id": "mp-1190045",
"created_at": "2022-09-04T14:39:21.829723Z",
"structure_string": "Li2 Se4 O12\n1.0\n-0.021749 0.000000 5.625808\n6.329276 0.000000 -1.734346\n0.000000 8.070202 0.000000\nLi Se O\n2 4 12\ndirect\n0.490571 0.002654 0.251052 Li\n0.990571 0.502654 0.748948 Li\n0.075720 0.261902 0.371847 Se\n0.575720 0.761902 0.628153 Se\n0.898864 0.738103 0.122537 Se\n0.398864 0.238103 0.877463 Se\n0.856531 0.196193 0.227535 O\n0.356531 0.696193 0.772465 O\n0.107930 0.812504 0.271759 O\n0.607930 0.312504 0.728241 O\n0.356131 0.281505 0.296767 O\n0.856131 0.781505 0.703233 O\n0.611943 0.716904 0.184457 O\n0.111943 0.216904 0.815543 O\n0.061244 0.470776 0.484773 O\n0.561244 0.970776 0.515227 O\n0.928668 0.532659 0.013050 O\n0.428668 0.032659 0.986950 O\n",
"nsites": 18,
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"elements": [
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"Se",
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],
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"density": 3.0179998826441077,
"density_atomic": 0.06270605358293234,
"volume": 287.0536251526971,
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"formula_full": "Li2 Se4 O12",
"formula_reduced": "Li(SeO3)2",
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},
{
"id": "mp-757964",
"created_at": "2022-09-04T14:39:21.879753Z",
"structure_string": "Li2 Sn4 P10 O32\n1.0\n10.347267 0.000000 0.000000\n0.000000 7.369836 0.000000\n0.000000 3.636718 10.023859\nLi Sn P O\n2 4 10 32\ndirect\n0.809241 0.038201 0.192504 Li\n0.190759 0.038201 0.692504 Li\n0.127661 0.646844 0.499592 Sn\n0.370285 0.082565 0.134663 Sn\n0.629715 0.082565 0.634663 Sn\n0.872339 0.646844 0.999592 Sn\n0.857945 0.380420 0.629534 P\n0.467545 0.492505 0.497630 P\n0.288326 0.440291 0.879140 P\n0.871350 0.762796 0.663385 P\n0.412959 0.900683 0.465523 P\n0.587041 0.900683 0.965523 P\n0.142055 0.380420 0.129534 P\n0.532455 0.492505 0.997630 P\n0.711674 0.440291 0.379140 P\n0.128650 0.762796 0.163385 P\n0.299503 0.219278 0.937605 O\n0.846356 0.527394 0.707949 O\n0.059456 0.788189 0.282186 O\n0.228850 0.527005 0.745475 O\n0.477411 0.688826 0.531172 O\n0.430162 0.533835 0.874837 O\n0.665378 0.460905 0.956715 O\n0.213187 0.504973 0.990157 O\n0.527667 0.015038 0.046998 O\n0.949837 0.826027 0.535293 O\n0.267816 0.898757 0.486094 O\n0.458154 0.969119 0.318428 O\n0.940544 0.788189 0.782186 O\n0.729844 0.839708 0.645381 O\n0.224322 0.205605 0.207114 O\n0.472333 0.015038 0.546998 O\n0.732184 0.898757 0.986094 O\n0.470449 0.339525 0.117834 O\n0.541846 0.969119 0.818428 O\n0.700497 0.219278 0.437605 O\n0.005737 0.331283 0.106715 O\n0.775678 0.205605 0.707114 O\n0.153644 0.527394 0.207949 O\n0.529551 0.339525 0.617834 O\n0.771150 0.527005 0.245475 O\n0.522589 0.688826 0.031172 O\n0.994263 0.331283 0.606715 O\n0.569838 0.533835 0.374837 O\n0.334622 0.460905 0.456715 O\n0.786813 0.504973 0.490157 O\n0.050163 0.826027 0.035293 O\n0.270156 0.839708 0.145381 O\n",
"nsites": 48,
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"elements": [
"Li",
"Sn",
"P",
"O"
],
"chemical_system": "Li-O-P-Sn",
"density": 2.846740953958968,
"density_atomic": 0.0627946738257857,
"volume": 764.3960399120589,
"volume_molar": 9.590209476535408,
"formula_full": "Li2 Sn4 P10 O32",
"formula_reduced": "LiSn2P5O16",
"formula_anonymous": "AB2C5D16",
"energy": -349.19588294,
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"total_magnetization": 4.6e-06,
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"updated_at": "2021-11-28T01:34:35.892000Z",
"spacegroup": 7
},
{
"id": "mp-1222268",
"created_at": "2022-09-04T14:39:22.491957Z",
"structure_string": "Mg2 As2 H32 N2 O20\n1.0\n6.178190 0.000000 0.000000\n0.000000 7.141576 0.000000\n0.000000 7.010128 11.504800\nMg As H N O\n2 2 32 2 20\ndirect\n0.624917 0.623459 0.875310 Mg\n0.375083 0.623459 0.375310 Mg\n0.004800 0.997212 0.503781 As\n0.995200 0.997212 0.003781 As\n0.605627 0.798951 0.017116 H\n0.608740 0.166127 0.017214 H\n0.391260 0.166127 0.517214 H\n0.394373 0.798951 0.517116 H\n0.771083 0.213337 0.278270 H\n0.228917 0.213337 0.778270 H\n0.830348 0.014835 0.803817 H\n0.824085 0.378390 0.800892 H\n0.175915 0.378390 0.300892 H\n0.169652 0.014835 0.303817 H\n0.364042 0.732085 0.005953 H\n0.368921 0.257001 0.008590 H\n0.631079 0.257001 0.508590 H\n0.635958 0.732085 0.505953 H\n0.790005 0.017600 0.686204 H\n0.789620 0.610475 0.684822 H\n0.210380 0.610475 0.184822 H\n0.209995 0.017600 0.186204 H\n0.289683 0.793273 0.705758 H\n0.710317 0.793273 0.205758 H\n0.001060 0.618163 0.994866 H\n0.003314 0.392483 0.994483 H\n0.996686 0.392483 0.494483 H\n0.998940 0.618163 0.494866 H\n0.181156 0.665839 0.833319 H\n0.818844 0.665839 0.333319 H\n0.537417 0.370436 0.239240 H\n0.523412 0.116093 0.262757 H\n0.476588 0.116093 0.762757 H\n0.462583 0.370436 0.739240 H\n0.645236 0.310766 0.144571 H\n0.354764 0.310766 0.644571 H\n0.622826 0.252998 0.232008 N\n0.377174 0.252998 0.732008 N\n0.320121 0.707189 0.791716 O\n0.679879 0.707189 0.291716 O\n0.016964 0.145827 0.353841 O\n0.983036 0.145827 0.853841 O\n0.263952 0.941905 0.560333 O\n0.736048 0.941905 0.060333 O\n0.875647 0.149210 0.552104 O\n0.878373 0.749445 0.551442 O\n0.121627 0.749445 0.051442 O\n0.124353 0.149210 0.052104 O\n0.943485 0.546425 0.952455 O\n0.056515 0.546425 0.452455 O\n0.518912 0.713465 0.990405 O\n0.524576 0.304533 0.995357 O\n0.475424 0.304533 0.495357 O\n0.481088 0.713465 0.490405 O\n0.732576 0.952548 0.768151 O\n0.726575 0.510129 0.765025 O\n0.273425 0.510129 0.265025 O\n0.267424 0.952548 0.268151 O\n",
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],
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"density": 1.8931049806553122,
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"formula_full": "Mg2 As2 H32 N2 O20",
"formula_reduced": "MgAsH16NO10",
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"energy": -316.45536773,
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"spacegroup": 7
},
{
"id": "mp-754878",
"created_at": "2022-09-04T14:39:22.973404Z",
"structure_string": "Cu6 O2 F10\n1.0\n9.605307 0.000000 -0.246179\n0.000000 4.596020 0.000000\n0.485070 0.000000 4.565948\nCu O F\n6 2 10\ndirect\n0.010017 0.998992 0.014043 Cu\n0.168560 0.532963 0.474253 Cu\n0.326515 0.995946 0.021176 Cu\n0.510017 0.501008 0.514043 Cu\n0.668560 0.967037 0.974253 Cu\n0.826515 0.504054 0.521176 Cu\n0.167681 0.824092 0.191404 O\n0.667681 0.675908 0.691404 O\n0.012963 0.716501 0.697983 F\n0.154270 0.235516 0.775401 F\n0.332471 0.320126 0.302351 F\n0.347149 0.709857 0.718119 F\n0.512963 0.783499 0.197983 F\n0.480373 0.193436 0.805272 F\n0.654270 0.264484 0.275401 F\n0.847149 0.790143 0.218119 F\n0.832471 0.179874 0.802351 F\n0.980373 0.306564 0.305272 F\n",
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"elements": [
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"formula_full": "Cu6 O2 F10",
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"energy": -82.39042549,
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},
{
"id": "mp-1200282",
"created_at": "2022-09-04T14:39:23.764411Z",
"structure_string": "P4 H40 C8 N4 O16\n1.0\n-6.962473 0.000000 -0.193831\n-0.353593 0.000000 -10.324242\n0.000000 -9.766745 0.000000\nP H C N O\n4 40 8 4 16\ndirect\n0.742825 0.655581 0.761526 P\n0.242825 0.155581 0.238474 P\n0.754824 0.807458 0.287136 P\n0.254824 0.307458 0.712864 P\n0.756245 0.778075 0.577341 H\n0.256245 0.278075 0.422659 H\n0.501176 0.982609 0.281837 H\n0.001176 0.482609 0.718163 H\n0.748123 0.695787 0.090896 H\n0.248123 0.195787 0.909104 H\n0.517161 0.496132 0.735495 H\n0.017161 0.996132 0.264505 H\n0.237054 0.704499 0.130013 H\n0.737054 0.204499 0.869987 H\n0.454456 0.710799 0.059215 H\n0.954456 0.210799 0.940785 H\n0.322987 0.831584 0.391906 H\n0.822987 0.331584 0.608094 H\n0.085725 0.809831 0.432996 H\n0.585725 0.309831 0.567004 H\n0.346952 0.879521 0.908531 H\n0.846952 0.379521 0.091469 H\n0.104522 0.866050 0.969579 H\n0.604522 0.366050 0.030421 H\n0.283810 0.924362 0.080845 H\n0.783810 0.424362 0.919155 H\n0.347673 0.643320 0.845309 H\n0.847673 0.143320 0.154691 H\n0.292680 0.527676 0.971372 H\n0.792680 0.027676 0.028628 H\n0.107618 0.641253 0.907079 H\n0.607618 0.141253 0.092921 H\n0.401574 0.864405 0.626563 H\n0.901574 0.364405 0.373437 H\n0.223117 0.982621 0.564089 H\n0.723117 0.482621 0.435911 H\n0.152167 0.850219 0.668892 H\n0.652167 0.350219 0.331108 H\n0.177053 0.625675 0.568265 H\n0.677053 0.125675 0.431735 H\n0.423521 0.643159 0.522787 H\n0.923521 0.143159 0.477213 H\n0.250609 0.605723 0.393992 H\n0.750609 0.105723 0.606008 H\n0.257157 0.858460 0.996690 C\n0.757157 0.358460 0.003310 C\n0.252840 0.880368 0.590769 C\n0.752840 0.380368 0.409231 C\n0.274215 0.658594 0.489239 C\n0.774215 0.158594 0.510761 C\n0.259019 0.626387 0.934829 C\n0.759019 0.126387 0.065171 C\n0.308256 0.722438 0.040520 N\n0.808256 0.222438 0.959480 N\n0.228753 0.799675 0.466020 N\n0.728753 0.299675 0.533980 N\n0.716077 0.787991 0.678059 O\n0.216077 0.287991 0.321941 O\n0.543096 0.871344 0.299686 O\n0.043096 0.371344 0.700314 O\n0.692413 0.681667 0.909752 O\n0.192413 0.181667 0.090248 O\n0.949342 0.598493 0.733964 O\n0.449342 0.098493 0.266036 O\n0.729996 0.681093 0.190889 O\n0.229996 0.181093 0.809111 O\n0.602509 0.561871 0.687981 O\n0.102509 0.061871 0.312019 O\n0.892701 0.893139 0.214287 O\n0.392701 0.393139 0.785713 O\n0.828654 0.757344 0.425747 O\n0.328654 0.257344 0.574253 O\n",
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"formula_full": "P4 H40 C8 N4 O16",
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},
{
"id": "mp-684798",
"created_at": "2022-09-04T14:39:24.011270Z",
"structure_string": "Ag8 Te4\n1.0\n9.631441 0.000000 0.000000\n0.000000 4.782292 0.000000\n0.000000 4.726770 6.845136\nAg Te\n8 4\ndirect\n0.375292 0.331821 0.332792 Ag\n0.624708 0.331821 0.832792 Ag\n0.373056 0.752880 0.755970 Ag\n0.875287 0.252641 0.250661 Ag\n0.626944 0.752880 0.255970 Ag\n0.124713 0.252641 0.750661 Ag\n0.876413 0.753444 0.750013 Ag\n0.123587 0.753444 0.250013 Ag\n0.369936 0.001379 0.994087 Te\n0.630064 0.001379 0.494087 Te\n0.879631 0.991134 0.999777 Te\n0.120369 0.991134 0.499777 Te\n",
"nsites": 12,
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"elements": [
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