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{
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{
"id": "mp-1189725",
"created_at": "2022-09-04T14:42:43.901371Z",
"structure_string": "Li8 H4 N4\n1.0\n0.000000 3.600492 0.000000\n0.000000 0.000000 4.917451\n7.839227 0.000000 0.000000\nLi H N\n8 4 4\ndirect\n0.250000 0.035737 0.601817 Li\n0.250000 0.464263 0.101817 Li\n0.750000 0.964263 0.398183 Li\n0.750000 0.535737 0.898183 Li\n0.250000 0.590006 0.702275 Li\n0.250000 0.909994 0.202275 Li\n0.750000 0.409994 0.297725 Li\n0.750000 0.090006 0.797725 Li\n0.250000 0.106919 0.921538 H\n0.250000 0.393081 0.421538 H\n0.750000 0.893081 0.078462 H\n0.750000 0.606919 0.578462 H\n0.250000 0.285832 0.852496 N\n0.250000 0.214168 0.352496 N\n0.750000 0.714168 0.147504 N\n0.750000 0.785832 0.647504 N\n",
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{
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"structure_string": "Mn8 Al12 Fe4 P12 O84\n1.0\n0.000000 0.011005 -6.977114\n15.539265 -0.005502 3.488557\n-0.000000 -13.036145 0.019922\nMn Al Fe P O\n8 12 4 12 84\ndirect\n0.459869 0.419736 0.750000 Mn\n0.126606 0.753214 0.750000 Mn\n0.291245 0.082490 0.750000 Mn\n0.960115 0.420228 0.750000 Mn\n0.624840 0.749680 0.750000 Mn\n0.206327 0.912654 0.250000 Mn\n0.875706 0.251411 0.250000 Mn\n0.540031 0.580064 0.250000 Mn\n0.002028 0.498488 0.502006 Al\n0.669533 0.833320 0.506474 Al\n0.338845 0.166582 0.507411 Al\n0.173112 0.835770 0.499798 Al\n0.839988 0.166958 0.492152 Al\n0.502827 0.499542 0.499078 Al\n0.996460 0.498488 0.997994 Al\n0.663788 0.833320 0.993526 Al\n0.327735 0.166582 0.992589 Al\n0.162659 0.835770 0.000202 Al\n0.826969 0.166958 0.007848 Al\n0.496714 0.499542 0.000922 Al\n0.709054 0.918107 0.250000 Fe\n0.375111 0.250221 0.250000 Fe\n0.042383 0.584766 0.250000 Fe\n0.791860 0.083720 0.750000 Fe\n0.712843 0.414974 0.169873 P\n0.374182 0.749220 0.168006 P\n0.035329 0.081716 0.169563 P\n0.963776 0.919063 0.828138 P\n0.621139 0.250870 0.829253 P\n0.290223 0.585538 0.830768 P\n0.795316 0.585538 0.669232 P\n0.455286 0.919063 0.671862 P\n0.129731 0.250870 0.670747 P\n0.875038 0.749220 0.331994 P\n0.546388 0.081716 0.330437 P\n0.202131 0.414974 0.330127 P\n0.100001 0.582645 0.892132 O\n0.774901 0.918248 0.889523 O\n0.438976 0.251030 0.894314 O\n0.186443 0.753484 0.106545 O\n0.850586 0.081435 0.105015 O\n0.526334 0.415587 0.106098 O\n0.698029 0.748609 0.402597 O\n0.364215 0.082249 0.398975 O\n0.022386 0.415609 0.396876 O\n0.616731 0.584398 0.599674 O\n0.276619 0.918472 0.603216 O\n0.944078 0.248173 0.602340 O\n0.550580 0.748609 0.097403 O\n0.218035 0.082249 0.101025 O\n0.893223 0.415609 0.103124 O\n0.467668 0.584398 0.900326 O\n0.141852 0.918472 0.896784 O\n0.804094 0.248173 0.897660 O\n0.982646 0.582645 0.607868 O\n0.643347 0.918248 0.610477 O\n0.312054 0.251030 0.605686 O\n0.067041 0.753484 0.393455 O\n0.730850 0.081435 0.394985 O\n0.389252 0.415587 0.393902 O\n0.836325 0.665098 0.265830 O\n0.502680 0.997793 0.264411 O\n0.158309 0.330478 0.261965 O\n0.835866 0.669324 0.735851 O\n0.494699 0.003553 0.739567 O\n0.164711 0.334391 0.737070 O\n0.669679 0.334391 0.762930 O\n0.333458 0.669324 0.764149 O\n0.008855 0.003553 0.760433 O\n0.995112 0.997793 0.235589 O\n0.672168 0.330478 0.238035 O\n0.328774 0.665098 0.234170 O\n0.739691 0.473551 0.476206 O\n0.410727 0.811564 0.475477 O\n0.079989 0.143475 0.476113 O\n0.932268 0.855091 0.530235 O\n0.602653 0.189974 0.521293 O\n0.264770 0.522905 0.526866 O\n0.758134 0.522905 0.973134 O\n0.422822 0.855091 0.969765 O\n0.087321 0.189974 0.978707 O\n0.900836 0.811564 0.024523 O\n0.563486 0.143475 0.023887 O\n0.233861 0.473551 0.023794 O\n0.755046 0.496310 0.242341 O\n0.422898 0.830233 0.240563 O\n0.078476 0.164083 0.241067 O\n0.924870 0.837470 0.756197 O\n0.580497 0.168514 0.757570 O\n0.252797 0.504183 0.758132 O\n0.751387 0.504183 0.741868 O\n0.412601 0.837470 0.743803 O\n0.088016 0.168514 0.742430 O\n0.907336 0.830233 0.259437 O\n0.585606 0.164083 0.258933 O\n0.241265 0.496310 0.257659 O\n0.026877 0.579960 0.101652 O\n0.695817 0.910557 0.101341 O\n0.365831 0.241809 0.102597 O\n0.112792 0.751484 0.896701 O\n0.789572 0.092002 0.897749 O\n0.462678 0.423046 0.885529 O\n0.619302 0.753710 0.616035 O\n0.296604 0.089786 0.622669 O\n0.946981 0.416196 0.604558 O\n0.534943 0.577119 0.385545 O\n0.195462 0.917341 0.395299 O\n0.874141 0.243874 0.377456 O\n0.634408 0.753710 0.883965 O\n0.293183 0.089786 0.877331 O\n0.969214 0.416196 0.895442 O\n0.542178 0.577119 0.114455 O\n0.221878 0.917341 0.104701 O\n0.869733 0.243874 0.122544 O\n0.053084 0.579960 0.398348 O\n0.714739 0.910557 0.398659 O\n0.375978 0.241809 0.397403 O\n0.138692 0.751484 0.603299 O\n0.802431 0.092002 0.602251 O\n0.460367 0.423046 0.614471 O\n",
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"elements": [
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"Al",
"Fe",
"P",
"O"
],
"chemical_system": "Al-Fe-Mn-O-P",
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"volume": 1413.365309931367,
"volume_molar": 7.092904034756431,
"formula_full": "Mn8 Al12 Fe4 P12 O84",
"formula_reduced": "Mn2Al3Fe(PO7)3",
"formula_anonymous": "AB2C3D3E21",
"energy": -869.86471164,
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"updated_at": "2021-11-28T01:36:08.847000Z",
"spacegroup": 5
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{
"id": "mp-555710",
"created_at": "2022-09-04T14:42:43.918442Z",
"structure_string": "K10 In2 Mo8 O32\n1.0\n6.161564 7.460408 0.000000\n-6.161564 7.460408 0.000000\n0.000000 4.340200 9.811006\nK In Mo O\n10 2 8 32\ndirect\n0.075848 0.342609 0.927916 K\n0.382311 0.181689 0.062645 K\n0.617689 0.818311 0.937355 K\n0.818311 0.617689 0.437355 K\n0.924152 0.657391 0.072084 K\n0.657391 0.924152 0.572084 K\n0.342609 0.075848 0.427916 K\n0.181689 0.382311 0.562645 K\n0.390684 0.609316 0.750000 K\n0.609316 0.390684 0.250000 K\n0.115027 0.884973 0.250000 In\n0.884973 0.115027 0.750000 In\n0.044170 0.782355 0.631182 Mo\n0.262267 0.530556 0.159830 Mo\n0.955830 0.217645 0.368818 Mo\n0.217645 0.955830 0.868818 Mo\n0.737733 0.469444 0.840170 Mo\n0.530556 0.262267 0.659830 Mo\n0.469444 0.737733 0.340170 Mo\n0.782355 0.044170 0.131182 Mo\n0.478885 0.210723 0.535796 O\n0.573017 0.383028 0.921576 O\n0.789277 0.521115 0.964204 O\n0.593031 0.062079 0.217355 O\n0.700190 0.633397 0.715365 O\n0.633397 0.700190 0.215365 O\n0.937921 0.406969 0.282645 O\n0.406969 0.937921 0.782645 O\n0.616972 0.426983 0.578424 O\n0.900340 0.889582 0.731040 O\n0.383028 0.573017 0.421576 O\n0.197060 0.991397 0.030717 O\n0.008603 0.802940 0.469283 O\n0.210723 0.478885 0.035796 O\n0.426983 0.616972 0.078424 O\n0.212617 0.848373 0.596483 O\n0.889582 0.900340 0.231040 O\n0.110418 0.099660 0.768960 O\n0.663723 0.122429 0.735846 O\n0.122429 0.663723 0.235846 O\n0.062079 0.593031 0.717355 O\n0.521115 0.789277 0.464204 O\n0.877571 0.336277 0.764154 O\n0.336277 0.877571 0.264154 O\n0.802940 0.008603 0.969283 O\n0.099660 0.110418 0.268960 O\n0.991397 0.197060 0.530717 O\n0.151627 0.787383 0.903517 O\n0.299810 0.366603 0.284635 O\n0.848373 0.212617 0.096483 O\n0.787383 0.151627 0.403517 O\n0.366603 0.299810 0.784635 O\n",
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"formula_full": "K10 In2 Mo8 O32",
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{
"id": "mp-1099117",
"created_at": "2022-09-04T14:42:43.934098Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n3.710268 -5.627658 0.000000\n3.710268 5.627658 0.000000\n0.000000 0.000000 5.336769\nCa Ce Mg\n1 1 6\ndirect\n0.656857 0.343143 0.000000 Ca\n0.150337 0.849663 0.000000 Ce\n0.654390 0.825418 0.000000 Mg\n0.174582 0.345610 0.000000 Mg\n0.835360 0.674978 0.500000 Mg\n0.325022 0.164640 0.500000 Mg\n0.855932 0.144068 0.500000 Mg\n0.347524 0.652476 0.500000 Mg\n",
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{
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"created_at": "2022-09-04T14:42:43.865835Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n7.054613 0.000000 0.000000\n-1.563185 9.481583 0.000000\n-1.584350 -5.067519 8.048115\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.324081 0.139380 0.841613 Li\n0.676018 0.639416 0.270199 Li\n0.673535 0.639828 0.766555 Li\n0.327278 0.138210 0.344255 Li\n0.730863 0.001316 0.605701 Mn\n0.269468 0.500867 0.641984 Mn\n0.272617 0.500929 0.142766 V\n0.727685 0.000786 0.106997 V\n0.478046 0.819344 0.889164 P\n0.087519 0.716614 0.249701 P\n0.088252 0.711301 0.749668 P\n0.517445 0.321466 0.539442 P\n0.482419 0.820769 0.390966 P\n0.913987 0.216613 0.285911 P\n0.910331 0.213419 0.785787 P\n0.522050 0.320225 0.039794 P\n0.515152 0.961197 0.925570 O\n0.390644 0.328640 0.638878 O\n0.084979 0.567292 0.417500 O\n0.090258 0.563520 0.918019 O\n0.246781 0.843991 0.777622 O\n0.750125 0.344447 0.626282 O\n0.908707 0.063850 0.765045 O\n0.607113 0.822076 0.787411 O\n0.495681 0.158627 0.545522 O\n0.482019 0.462452 0.862046 O\n0.482817 0.463870 0.362745 O\n0.148672 0.674416 0.138274 O\n0.149950 0.670709 0.636126 O\n0.112224 0.297227 0.787142 O\n0.112906 0.305894 0.278358 O\n0.887576 0.796575 0.665555 O\n0.888011 0.805708 0.164432 O\n0.846348 0.172623 0.937449 O\n0.856199 0.176167 0.440692 O\n0.521078 0.965438 0.424333 O\n0.503104 0.659155 0.547616 O\n0.492005 0.657073 0.047930 O\n0.396012 0.323836 0.140711 O\n0.250143 0.845584 0.280833 O\n0.752836 0.346982 0.124969 O\n0.914968 0.067474 0.266645 O\n0.604327 0.826414 0.282231 O\n0.507769 0.157124 0.045138 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
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"spacegroup": 1
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{
"id": "mp-1186897",
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"structure_string": "Rb1 Rh1 O3\n1.0\n4.042708 0.000000 0.000000\n0.000000 4.042708 0.000000\n0.000000 0.000000 4.042708\nRb Rh O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Rb1 Rh1 O3",
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{
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