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{
"id": "mp-1206982",
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{
"id": "mp-1247728",
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"structure_string": "Li12 V24 Fe12 O84\n1.0\n13.580380 0.000000 -1.537486\n0.000000 8.308252 0.000000\n0.020767 0.000000 14.590018\nLi V Fe O\n12 24 12 84\ndirect\n0.637514 0.676833 0.711550 Li\n0.637514 0.323167 0.211550 Li\n0.137514 0.176833 0.711550 Li\n0.137514 0.823167 0.211550 Li\n0.336692 0.305435 0.034892 Li\n0.336692 0.694565 0.534892 Li\n0.836692 0.805435 0.034892 Li\n0.836692 0.194565 0.534892 Li\n0.524713 0.184601 0.377843 Li\n0.524713 0.815399 0.877843 Li\n0.024713 0.684601 0.377843 Li\n0.024713 0.315399 0.877843 Li\n0.424201 0.026388 0.176691 V\n0.424201 0.973612 0.676691 V\n0.924201 0.526388 0.176691 V\n0.924201 0.473612 0.676691 V\n0.703978 0.962483 0.356393 V\n0.703978 0.037517 0.856393 V\n0.203978 0.462483 0.356393 V\n0.203978 0.537517 0.856393 V\n0.574228 0.458210 0.515229 V\n0.574228 0.541790 0.015229 V\n0.074228 0.958210 0.515229 V\n0.074228 0.041790 0.015229 V\n0.627019 0.954321 0.566871 V\n0.627019 0.045679 0.066871 V\n0.127019 0.454321 0.566871 V\n0.127019 0.545679 0.066871 V\n0.274284 0.973691 0.403922 V\n0.274284 0.026309 0.903922 V\n0.774284 0.473691 0.403922 V\n0.774284 0.526309 0.903922 V\n0.405980 0.459580 0.240293 V\n0.405980 0.540420 0.740293 V\n0.905980 0.959580 0.240293 V\n0.905980 0.040420 0.740293 V\n0.497152 0.799635 0.369237 Fe\n0.497152 0.200365 0.869237 Fe\n0.997152 0.299635 0.369237 Fe\n0.997152 0.700365 0.869237 Fe\n0.850542 0.825249 0.540894 Fe\n0.850542 0.174751 0.040894 Fe\n0.350542 0.325249 0.540894 Fe\n0.350542 0.674751 0.040894 Fe\n0.700266 0.307340 0.710092 Fe\n0.700266 0.692660 0.210092 Fe\n0.200266 0.807340 0.710092 Fe\n0.200266 0.192660 0.210092 Fe\n0.479569 0.322026 0.485065 O\n0.479569 0.677974 0.985065 O\n0.979569 0.822026 0.485065 O\n0.979569 0.177974 0.985065 O\n0.323017 0.150064 0.146316 O\n0.323017 0.849936 0.646316 O\n0.823017 0.650064 0.146316 O\n0.823017 0.349936 0.646316 O\n0.236727 0.993320 0.287229 O\n0.236727 0.006680 0.787229 O\n0.736727 0.493320 0.287229 O\n0.736727 0.506680 0.787229 O\n0.394405 0.485879 0.120360 O\n0.394405 0.514121 0.620360 O\n0.894405 0.985879 0.120360 O\n0.894405 0.014121 0.620360 O\n0.422822 0.642431 0.292612 O\n0.422822 0.357569 0.792612 O\n0.922822 0.142431 0.292612 O\n0.922822 0.857569 0.792612 O\n0.295014 0.160793 0.448731 O\n0.295014 0.839207 0.948731 O\n0.795014 0.660793 0.448731 O\n0.795014 0.339207 0.948731 O\n0.527099 0.884846 0.624023 O\n0.527099 0.115154 0.124023 O\n0.027099 0.384846 0.624023 O\n0.027099 0.615154 0.124023 O\n0.621978 0.792013 0.305099 O\n0.621978 0.207987 0.805099 O\n0.121978 0.292013 0.305099 O\n0.121978 0.707987 0.805099 O\n0.592275 0.968811 0.442826 O\n0.592275 0.031189 0.942826 O\n0.092275 0.468811 0.442826 O\n0.092275 0.531189 0.942826 O\n0.674793 0.136000 0.306229 O\n0.674793 0.864000 0.806229 O\n0.174793 0.636000 0.306229 O\n0.174793 0.364000 0.806229 O\n0.662163 0.138557 0.609271 O\n0.662163 0.861443 0.109271 O\n0.162163 0.638557 0.609271 O\n0.162163 0.361443 0.109271 O\n0.674052 0.382581 0.457314 O\n0.674052 0.617419 0.957314 O\n0.174052 0.882581 0.457314 O\n0.174052 0.117419 0.957314 O\n0.293134 0.370652 0.278638 O\n0.293134 0.629348 0.778638 O\n0.793134 0.870652 0.278638 O\n0.793134 0.129348 0.778638 O\n0.504294 0.342295 0.273336 O\n0.504294 0.657705 0.773336 O\n0.004294 0.842295 0.273336 O\n0.004294 0.157705 0.773336 O\n0.454653 0.003330 0.294069 O\n0.454653 0.996670 0.794069 O\n0.954653 0.503330 0.294069 O\n0.954653 0.496670 0.794069 O\n0.541778 0.644547 0.472938 O\n0.541778 0.355453 0.972938 O\n0.041778 0.144547 0.472938 O\n0.041778 0.855453 0.972938 O\n0.404041 0.842599 0.129530 O\n0.404041 0.157401 0.629530 O\n0.904041 0.342599 0.129530 O\n0.904041 0.657401 0.629530 O\n0.788436 -0.001646 0.454403 O\n0.788436 0.001646 0.954403 O\n0.288436 0.498354 0.454403 O\n0.288436 0.501646 0.954403 O\n0.614188 0.464207 0.633092 O\n0.614188 0.535793 0.133092 O\n0.114188 0.964207 0.633092 O\n0.114188 0.035793 0.133092 O\n0.376320 0.852292 0.434495 O\n0.376320 0.147708 0.934495 O\n0.876320 0.352292 0.434495 O\n0.876320 0.647708 0.934495 O\n0.718102 0.817309 0.597238 O\n0.718102 0.182691 0.097238 O\n0.218102 0.317309 0.597238 O\n0.218102 0.682691 0.097238 O\n",
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"elements": [
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"density": 3.3483963617371444,
"density_atomic": 0.08017270588590789,
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"volume_molar": 7.511460033006723,
"formula_full": "Li12 V24 Fe12 O84",
"formula_reduced": "LiV2FeO7",
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"updated_at": "2021-11-28T01:34:30.285000Z",
"spacegroup": 9
},
{
"id": "mp-1208094",
"created_at": "2022-09-04T14:39:13.158889Z",
"structure_string": "Tl4 Cu16 Se12\n1.0\n0.000000 0.000000 3.944816\n12.543167 0.000000 0.000000\n0.000000 12.927433 0.000000\nTl Cu Se\n4 16 12\ndirect\n0.000000 0.394549 0.372111 Tl\n0.000000 0.605451 0.627889 Tl\n0.500000 0.105451 0.872111 Tl\n0.500000 0.894549 0.127889 Tl\n0.000000 0.096594 0.460006 Cu\n0.000000 0.903406 0.539994 Cu\n0.500000 0.403406 0.960006 Cu\n0.500000 0.596594 0.039994 Cu\n0.000000 0.085785 0.269505 Cu\n0.000000 0.914215 0.730495 Cu\n0.500000 0.414215 0.769505 Cu\n0.500000 0.585785 0.230495 Cu\n0.000000 0.315482 0.079443 Cu\n0.000000 0.684518 0.920557 Cu\n0.500000 0.184518 0.579443 Cu\n0.500000 0.815482 0.420557 Cu\n0.000000 0.304962 0.673889 Cu\n0.000000 0.695038 0.326111 Cu\n0.500000 0.195038 0.173889 Cu\n0.500000 0.804962 0.826111 Cu\n0.000000 0.119893 0.089294 Se\n0.000000 0.880107 0.910706 Se\n0.500000 0.380107 0.589294 Se\n0.500000 0.619893 0.410706 Se\n0.000000 0.679072 0.132145 Se\n0.000000 0.320928 0.867855 Se\n0.500000 0.820928 0.632145 Se\n0.500000 0.179072 0.367855 Se\n0.000000 0.092732 0.643729 Se\n0.000000 0.907268 0.356271 Se\n0.500000 0.407268 0.143729 Se\n0.500000 0.592732 0.856271 Se\n",
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},
{
"id": "mp-1101403",
"created_at": "2022-09-04T14:39:13.202528Z",
"structure_string": "Rb6 Tm2 O6\n1.0\n6.233286 3.845748 0.000000\n-6.233286 3.845748 0.000000\n0.000000 1.162097 7.146606\nRb Tm O\n6 2 6\ndirect\n0.635640 0.635640 0.644421 Rb\n0.205607 0.794393 0.500000 Rb\n0.794393 0.205607 0.500000 Rb\n0.739077 0.260923 0.000000 Rb\n0.260923 0.739077 0.000000 Rb\n0.364360 0.364360 0.355579 Rb\n0.825162 0.825162 0.148182 Tm\n0.174838 0.174838 0.851818 Tm\n0.897250 0.897250 0.846132 O\n0.833990 0.558664 0.267367 O\n0.558664 0.833990 0.267367 O\n0.166010 0.441336 0.732633 O\n0.441336 0.166010 0.732633 O\n0.102750 0.102750 0.153868 O\n",
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{
"id": "mp-1265553",
"created_at": "2022-09-04T14:39:13.225271Z",
"structure_string": "Al16 Fe24 O72\n1.0\n8.556950 0.000000 0.000000\n0.000000 9.281848 0.000000\n0.000000 0.000000 15.160663\nAl Fe O\n16 24 72\ndirect\n0.334760 0.300229 0.780501 Al\n0.335196 0.303125 0.107800 Al\n0.664804 0.803125 0.892200 Al\n0.665240 0.800229 0.219499 Al\n0.834760 0.800229 0.719499 Al\n0.835196 0.803125 0.392200 Al\n0.165240 0.300229 0.280501 Al\n0.164804 0.303125 0.607800 Al\n0.338897 0.994902 0.890889 Al\n0.342711 0.997909 0.563927 Al\n0.661103 0.494902 0.109111 Al\n0.657289 0.497909 0.436073 Al\n0.842711 0.497909 0.936073 Al\n0.838897 0.494902 0.609111 Al\n0.157289 0.997909 0.063927 Al\n0.161103 0.994902 0.390889 Al\n0.489706 0.800562 0.720423 Fe\n0.485788 0.803933 0.054698 Fe\n0.480706 0.803202 0.392003 Fe\n0.514212 0.303933 0.945302 Fe\n0.510294 0.300562 0.279577 Fe\n0.519294 0.303202 0.607997 Fe\n0.989706 0.300562 0.779577 Fe\n0.980706 0.303202 0.107997 Fe\n0.985788 0.303933 0.445302 Fe\n0.019294 0.803202 0.892003 Fe\n0.010294 0.800562 0.220423 Fe\n0.014212 0.803933 0.554698 Fe\n0.347308 0.569529 0.895003 Fe\n0.348080 0.585898 0.226224 Fe\n0.346492 0.572131 0.559469 Fe\n0.651920 0.085898 0.773776 Fe\n0.652692 0.069529 0.104997 Fe\n0.653508 0.072131 0.440531 Fe\n0.846492 0.072131 0.940531 Fe\n0.848080 0.085898 0.273776 Fe\n0.847308 0.069529 0.604997 Fe\n0.151920 0.585898 0.726224 Fe\n0.153508 0.572131 0.059469 Fe\n0.152692 0.569529 0.395003 Fe\n0.326576 0.942656 0.004223 O\n0.335395 0.924771 0.342341 O\n0.353338 0.924040 0.670829 O\n0.664605 0.424771 0.657659 O\n0.673424 0.442656 0.995777 O\n0.646662 0.424040 0.329171 O\n0.853338 0.424040 0.829171 O\n0.835395 0.424771 0.157659 O\n0.826576 0.442656 0.495777 O\n0.164605 0.924771 0.842341 O\n0.146662 0.924040 0.170829 O\n0.173424 0.942656 0.504223 O\n0.336071 0.675150 0.782823 O\n0.324398 0.678368 0.110726 O\n0.329847 0.669308 0.447340 O\n0.675602 0.178368 0.889274 O\n0.663929 0.175150 0.217177 O\n0.670153 0.169308 0.552660 O\n0.836071 0.175150 0.717177 O\n0.829847 0.169308 0.052660 O\n0.824398 0.178368 0.389274 O\n0.170153 0.669308 0.947340 O\n0.163929 0.675150 0.282823 O\n0.175602 0.678368 0.610726 O\n0.351729 0.183935 0.878425 O\n0.334789 0.214279 0.221357 O\n0.336548 0.190357 0.569425 O\n0.665211 0.714279 0.778643 O\n0.648271 0.683935 0.121575 O\n0.663452 0.690357 0.430575 O\n0.836548 0.690357 0.930575 O\n0.834789 0.714279 0.278643 O\n0.851729 0.683935 0.621575 O\n0.165211 0.214279 0.721357 O\n0.163452 0.190357 0.069425 O\n0.148271 0.183935 0.378425 O\n0.494090 0.206439 0.721000 O\n0.494927 0.201870 0.054505 O\n0.501811 0.186165 0.381535 O\n0.505073 0.701870 0.945495 O\n0.505910 0.706439 0.279000 O\n0.498189 0.686165 0.618465 O\n0.994090 0.706439 0.779000 O\n0.001811 0.686165 0.118465 O\n0.994927 0.701870 0.445495 O\n0.998189 0.186165 0.881535 O\n0.005910 0.206439 0.221000 O\n0.005073 0.201870 0.554505 O\n0.340469 0.433299 0.002326 O\n0.318355 0.435021 0.318193 O\n0.320759 0.428135 0.655962 O\n0.681645 0.935021 0.681807 O\n0.659531 0.933299 0.997674 O\n0.679241 0.928135 0.344038 O\n0.820759 0.928135 0.844038 O\n0.818355 0.935021 0.181807 O\n0.840469 0.933299 0.497674 O\n0.181645 0.435021 0.818193 O\n0.179241 0.428135 0.155962 O\n0.159531 0.433299 0.502326 O\n0.998578 0.443242 0.010117 O\n0.022424 0.424226 0.343071 O\n0.008844 0.428684 0.667571 O\n0.508844 0.928684 0.832429 O\n0.522424 0.924226 0.156929 O\n0.498578 0.943242 0.489883 O\n0.977576 0.924226 0.656929 O\n0.001422 0.943242 0.989883 O\n0.991156 0.928684 0.332429 O\n0.477576 0.424226 0.843071 O\n0.491156 0.428684 0.167571 O\n0.501422 0.443242 0.510117 O\n",
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{
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"structure_string": "Mg2 Ag4 O8\n1.0\n0.000000 4.514440 4.514440\n4.514440 0.000000 4.514440\n4.514440 4.514440 0.000000\nMg Ag O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.625000 Ag\n0.625000 0.125000 0.125000 Ag\n0.125000 0.125000 0.125000 Ag\n0.125000 0.625000 0.125000 Ag\n0.886851 0.371050 0.371050 O\n0.371050 0.371050 0.886851 O\n0.371050 0.371050 0.371050 O\n0.363149 0.878950 0.878950 O\n0.878950 0.363149 0.878950 O\n0.878950 0.878950 0.363149 O\n0.371050 0.886851 0.371050 O\n0.878950 0.878950 0.878950 O\n",
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{
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