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{
"id": "mp-603406",
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"structure_string": "Co4 H84 C8 N24 Cl8 O20\n1.0\n9.019814 0.000000 0.000000\n0.000000 10.309197 0.000000\n0.000000 0.000000 14.377493\nCo H C N Cl O\n4 84 8 24 8 20\ndirect\n0.751427 0.486729 0.381682 Co\n0.748573 0.513271 0.881682 Co\n0.251427 0.013271 0.618318 Co\n0.248573 0.986729 0.118318 Co\n0.454961 0.105484 0.512431 H\n0.171532 0.781825 0.034243 H\n0.980934 0.074515 0.636588 H\n0.895129 0.323884 0.948760 H\n0.092887 0.189439 0.098432 H\n0.907869 0.337310 0.806903 H\n0.260152 0.132501 0.259674 H\n0.760152 0.367499 0.740326 H\n0.328468 0.218175 0.534243 H\n0.032704 0.107162 0.190539 H\n0.239848 0.867499 0.759674 H\n0.903725 0.466929 0.738829 H\n0.596275 0.533071 0.238829 H\n0.984721 0.059648 0.084762 H\n0.261530 0.507739 0.431073 H\n0.551256 0.355261 0.457093 H\n0.019066 0.574515 0.863412 H\n0.407869 0.162690 0.193097 H\n0.519066 0.925485 0.136588 H\n0.412326 0.790039 0.145790 H\n0.604871 0.676116 0.448760 H\n0.260043 0.535549 0.760650 H\n0.588377 0.692841 0.812521 H\n0.593601 0.549928 0.520181 H\n0.403725 0.033071 0.261171 H\n0.174193 0.377568 0.867227 H\n0.760043 0.964451 0.239350 H\n0.291901 0.105322 0.457121 H\n0.051256 0.144739 0.542907 H\n0.239957 0.464451 0.260650 H\n0.532704 0.392838 0.809461 H\n0.238470 0.492261 0.931073 H\n0.092131 0.837310 0.693097 H\n0.407113 0.810561 0.598432 H\n0.906399 0.450072 0.020181 H\n0.738470 0.007739 0.068927 H\n0.406399 0.049928 0.979819 H\n0.104167 0.929100 0.263142 H\n0.448744 0.855261 0.042907 H\n0.742328 0.674515 0.749100 H\n0.745969 0.639472 0.519578 H\n0.411623 0.192841 0.687479 H\n0.096275 0.966929 0.761171 H\n0.592131 0.662690 0.306903 H\n0.242328 0.825485 0.250900 H\n0.325807 0.622432 0.367227 H\n0.674193 0.122432 0.132773 H\n0.828468 0.281825 0.465757 H\n0.907113 0.689439 0.401568 H\n0.604167 0.570900 0.736858 H\n0.015279 0.559648 0.415238 H\n0.739957 0.035549 0.739350 H\n0.208099 0.894678 0.957121 H\n0.545039 0.605484 0.987569 H\n0.757672 0.325485 0.249100 H\n0.967296 0.607162 0.309461 H\n0.895833 0.429100 0.236858 H\n0.911623 0.307159 0.312521 H\n0.754031 0.360528 0.019578 H\n0.093601 0.950072 0.479819 H\n0.825807 0.877568 0.632773 H\n0.104871 0.823884 0.551240 H\n0.592887 0.310561 0.901568 H\n0.257672 0.174515 0.750900 H\n0.395129 0.176116 0.051240 H\n0.761530 0.992261 0.568927 H\n0.395833 0.070900 0.763142 H\n0.515279 0.940352 0.584762 H\n0.671532 0.718175 0.965757 H\n0.087674 0.209961 0.645790 H\n0.587674 0.290039 0.354210 H\n0.954961 0.394516 0.487569 H\n0.045039 0.894516 0.012431 H\n0.739848 0.632501 0.240326 H\n0.245969 0.860528 0.480422 H\n0.254031 0.139472 0.980422 H\n0.467296 0.892838 0.690539 H\n0.484721 0.440352 0.915238 H\n0.912326 0.709961 0.854210 H\n0.088377 0.807159 0.187479 H\n0.948744 0.644739 0.957093 H\n0.480934 0.425485 0.363412 H\n0.708099 0.605322 0.042879 H\n0.791901 0.394678 0.542879 H\n0.282192 0.570171 0.627659 C\n0.717808 0.070171 0.872341 C\n0.192803 0.443864 0.607439 C\n0.807197 0.943864 0.892561 C\n0.307197 0.556136 0.107439 C\n0.782192 0.929829 0.372341 C\n0.692803 0.056136 0.392561 C\n0.217808 0.429829 0.127659 C\n0.927048 0.622418 0.888650 N\n0.164315 0.899278 0.522556 N\n0.160867 0.874487 0.214981 N\n0.572952 0.377582 0.388650 N\n0.430057 0.902655 0.623268 N\n0.159997 0.909823 0.718221 N\n0.339133 0.125513 0.714981 N\n0.835685 0.399278 0.977444 N\n0.660867 0.625513 0.785019 N\n0.842637 0.378658 0.479876 N\n0.840003 0.409823 0.781779 N\n0.157363 0.878658 0.020124 N\n0.569943 0.402655 0.876732 N\n0.335685 0.100722 0.022556 N\n0.930057 0.597345 0.376732 N\n0.664315 0.600722 0.477444 N\n0.657363 0.621342 0.979876 N\n0.340003 0.090177 0.218221 N\n0.659997 0.590177 0.281779 N\n0.069943 0.097345 0.123268 N\n0.427048 0.877582 0.111350 N\n0.342637 0.121342 0.520124 N\n0.072952 0.122418 0.611350 N\n0.839133 0.374487 0.285019 N\n0.556787 0.369098 0.633835 Cl\n0.065821 0.172929 0.871363 Cl\n0.943213 0.630902 0.133835 Cl\n0.443213 0.869098 0.866165 Cl\n0.056787 0.130902 0.366165 Cl\n0.565821 0.327071 0.128637 Cl\n0.934179 0.672929 0.628637 Cl\n0.434179 0.827071 0.371363 Cl\n0.710061 0.032109 0.133742 O\n0.824183 0.914538 0.977498 O\n0.210061 0.467891 0.866258 O\n0.669027 0.139830 0.935249 O\n0.330973 0.639830 0.564751 O\n0.196561 0.398698 0.216202 O\n0.830973 0.860170 0.435249 O\n0.324183 0.585462 0.022502 O\n0.646357 0.117888 0.322450 O\n0.853643 0.882112 0.822450 O\n0.696561 0.101302 0.783798 O\n0.353643 0.617888 0.177550 O\n0.303439 0.601302 0.716202 O\n0.175817 0.414538 0.522502 O\n0.289939 0.532109 0.366258 O\n0.146357 0.382112 0.677550 O\n0.803439 0.898698 0.283798 O\n0.169027 0.360170 0.064751 O\n0.789939 0.967891 0.633742 O\n0.675817 0.085462 0.477498 O\n",
"nsites": 148,
"nelements": 6,
"elements": [
"Co",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-H-N-O",
"density": 1.6845576169776435,
"density_atomic": 0.11070216894762712,
"volume": 1336.9205084863186,
"volume_molar": 5.439948302050936,
"formula_full": "Co4 H84 C8 N24 Cl8 O20",
"formula_reduced": "CoH21C2N6Cl2O5",
"formula_anonymous": "AB2C2D5E6F21",
"energy": -822.94368905,
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"updated_at": "2021-11-28T01:35:28.149000Z",
"spacegroup": 19
},
{
"id": "mp-1080278",
"created_at": "2022-09-04T14:39:16.418207Z",
"structure_string": "Ce8 Se16\n1.0\n10.481557 6.076758 0.000000\n-10.481557 6.076758 0.000000\n0.000000 6.022609 10.494966\nCe Se\n8 16\ndirect\n0.749068 0.966905 0.573477 Ce\n0.033095 0.250933 0.926523 Ce\n0.250932 0.033095 0.426523 Ce\n0.966905 0.749068 0.073477 Ce\n0.336281 0.652417 0.038922 Ce\n0.347583 0.663719 0.461078 Ce\n0.663719 0.347583 0.961078 Ce\n0.652417 0.336281 0.538922 Ce\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.382762 0.617238 0.250000 Se\n0.617238 0.382762 0.750000 Se\n0.605819 0.856808 0.442601 Se\n0.143192 0.394181 0.057399 Se\n0.394181 0.143192 0.557399 Se\n0.856808 0.605819 0.942601 Se\n0.587823 0.795348 0.828610 Se\n0.204652 0.412177 0.671390 Se\n0.412177 0.204652 0.171390 Se\n0.795348 0.587823 0.328610 Se\n0.776759 0.201341 0.972373 Se\n0.798659 0.223241 0.527627 Se\n0.223241 0.798659 0.027627 Se\n0.201341 0.776759 0.472373 Se\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Ce-Se",
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"formula_full": "Ce8 Se16",
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"energy": -137.04875447,
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"updated_at": "2021-11-28T01:34:42.279000Z",
"spacegroup": 15
},
{
"id": "mp-1173612",
"created_at": "2022-09-04T14:45:09.446484Z",
"structure_string": "Pr10 Te14 W2 Cl6 O46\n1.0\n9.307279 3.884844 0.000000\n-9.307279 3.884844 0.000000\n0.000000 2.287494 18.487825\nPr Te W Cl O\n10 14 2 6 46\ndirect\n0.237879 0.762121 0.500000 Pr\n0.758580 0.241420 0.500000 Pr\n0.180784 0.700518 0.738060 Pr\n0.700495 0.183364 0.738177 Pr\n0.816636 0.299505 0.261823 Pr\n0.299482 0.819216 0.261940 Pr\n0.744535 0.521819 0.862964 Pr\n0.521684 0.744386 0.863341 Pr\n0.255614 0.478316 0.136659 Pr\n0.478181 0.255465 0.137036 Pr\n0.299514 0.958864 0.889717 Te\n0.958913 0.299280 0.889691 Te\n0.700720 0.041087 0.110309 Te\n0.041136 0.700486 0.110283 Te\n0.995696 0.995696 0.762381 Te\n0.004304 0.004304 0.237619 Te\n0.849687 0.637619 0.642490 Te\n0.634461 0.846988 0.643927 Te\n0.153012 0.365539 0.356073 Te\n0.362381 0.150313 0.357510 Te\n0.407723 0.164075 0.614595 Te\n0.165423 0.409683 0.615285 Te\n0.590317 0.834577 0.384715 Te\n0.835925 0.592277 0.385405 Te\n0.264018 0.263971 0.976857 W\n0.736030 0.735982 0.023143 W\n0.437508 0.438509 0.713930 Cl\n0.561491 0.562492 0.286070 Cl\n0.499389 0.500611 0.500000 Cl\n0.697888 0.302112 0.000000 Cl\n0.302126 0.697874 0.000000 Cl\n0.039761 0.960239 0.500000 Cl\n0.073711 0.703441 0.614516 O\n0.706159 0.072799 0.613083 O\n0.927201 0.293841 0.386917 O\n0.296559 0.926289 0.385484 O\n0.038010 0.890819 0.692764 O\n0.890367 0.036905 0.692274 O\n0.963095 0.109633 0.307726 O\n0.109181 0.961990 0.307236 O\n0.414096 0.896571 0.836531 O\n0.896295 0.413779 0.836593 O\n0.586221 0.103705 0.163407 O\n0.103429 0.585904 0.163469 O\n0.404990 0.028165 0.690541 O\n0.028131 0.404920 0.690910 O\n0.595080 0.971869 0.309090 O\n0.971835 0.595010 0.309459 O\n0.484376 0.484379 0.922979 O\n0.515621 0.515624 0.077021 O\n0.478244 0.204362 0.841205 O\n0.204403 0.478224 0.841293 O\n0.521776 0.795597 0.158707 O\n0.795638 0.521756 0.158795 O\n0.097735 0.817244 0.830376 O\n0.817060 0.097722 0.830217 O\n0.902278 0.182940 0.169783 O\n0.182756 0.902265 0.169624 O\n0.684524 0.358270 0.609557 O\n0.358917 0.685085 0.609846 O\n0.314915 0.641083 0.390154 O\n0.641730 0.315476 0.390443 O\n0.109778 0.109761 0.913340 O\n0.890239 0.890222 0.086660 O\n0.825158 0.518359 0.733592 O\n0.517484 0.824320 0.733992 O\n0.175680 0.482516 0.266008 O\n0.481641 0.174842 0.266408 O\n0.146163 0.308047 0.030514 O\n0.308069 0.146176 0.030538 O\n0.853824 0.691931 0.969462 O\n0.691953 0.853837 0.969486 O\n0.432933 0.068698 0.535825 O\n0.068049 0.428515 0.535353 O\n0.571485 0.931951 0.464647 O\n0.931302 0.567067 0.464175 O\n0.765885 0.766070 0.811026 O\n0.233930 0.234115 0.188974 O\n",
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"elements": [
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],
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"density": 5.603912142891163,
"density_atomic": 0.058342155269950485,
"volume": 1336.9406673286617,
"volume_molar": 10.322108828745558,
"formula_full": "Pr10 Te14 W2 Cl6 O46",
"formula_reduced": "Pr5Te7WCl3O23",
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"energy": -542.27619933,
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"updated_at": "2021-11-28T01:36:52.204000Z",
"spacegroup": 5
},
{
"id": "mp-1202576",
"created_at": "2022-09-04T14:44:58.641257Z",
"structure_string": "Tb16 Ga4 Sb4 S36\n1.0\n6.959030 -7.072421 0.000000\n6.959030 7.072421 0.000000\n0.000000 0.000000 13.583021\nTb Ga Sb S\n16 4 4 36\ndirect\n0.091208 0.127539 0.186691 Tb\n0.872461 0.908791 0.813309 Tb\n0.591209 0.627539 0.313309 Tb\n0.372461 0.408791 0.686691 Tb\n0.320559 0.336835 0.399067 Tb\n0.663165 0.679441 0.600933 Tb\n0.820559 0.836835 0.100933 Tb\n0.163165 0.179441 0.899067 Tb\n0.042835 0.625196 0.317645 Tb\n0.374804 0.957165 0.682355 Tb\n0.542835 0.125196 0.182355 Tb\n0.874804 0.457165 0.817645 Tb\n0.327973 0.449839 0.103735 Tb\n0.550161 0.672027 0.896265 Tb\n0.827973 0.949839 0.396265 Tb\n0.050161 0.172027 0.603735 Tb\n0.823899 0.385975 0.091606 Ga\n0.614025 0.176101 0.908394 Ga\n0.323899 0.885975 0.408394 Ga\n0.114025 0.676101 0.591606 Ga\n0.831519 0.329085 0.386981 Sb\n0.670915 0.168481 0.613019 Sb\n0.331519 0.829085 0.113019 Sb\n0.170915 0.668481 0.886981 Sb\n0.014877 0.163630 0.400606 S\n0.836370 0.985123 0.599394 S\n0.514877 0.663630 0.099394 S\n0.336370 0.485123 0.900606 S\n0.147278 0.663226 0.081080 S\n0.336774 0.852722 0.918920 S\n0.647278 0.163226 0.418920 S\n0.836774 0.352722 0.581080 S\n0.818345 0.204204 0.197671 S\n0.795796 0.181655 0.802329 S\n0.318345 0.704204 0.302329 S\n0.295796 0.681655 0.697671 S\n0.821701 0.576381 0.190823 S\n0.423619 0.178299 0.809177 S\n0.321701 0.076381 0.309177 S\n0.923619 0.678299 0.690823 S\n0.125911 0.874089 0.500000 S\n0.625911 0.374089 0.000000 S\n0.117327 0.491369 0.490145 S\n0.508631 0.882673 0.509855 S\n0.617327 0.991369 0.009855 S\n0.008631 0.382673 0.990145 S\n0.812406 0.680993 0.431663 S\n0.319007 0.187594 0.568337 S\n0.312406 0.180993 0.068337 S\n0.819007 0.687594 0.931663 S\n0.003034 0.881276 0.248805 S\n0.118724 0.996966 0.751195 S\n0.503034 0.381276 0.251195 S\n0.618724 0.496966 0.748805 S\n0.499460 0.500540 0.500000 S\n0.999460 0.000540 0.000000 S\n0.142086 0.390074 0.245786 S\n0.609926 0.857914 0.754214 S\n0.642086 0.890074 0.254214 S\n0.109926 0.357914 0.745786 S\n",
"nsites": 60,
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"elements": [
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"S"
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"density": 5.5429422513449325,
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"volume": 1337.036248261317,
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"formula_full": "Tb16 Ga4 Sb4 S36",
"formula_reduced": "Tb4GaSbS9",
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"energy": -362.36472082,
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"spacegroup": 41
},
{
"id": "mp-1200935",
"created_at": "2022-09-04T14:46:56.739947Z",
"structure_string": "Ba8 Ga4 Sb4 Te20\n1.0\n9.785476 0.000000 0.000000\n0.000000 9.994100 0.000000\n0.000000 0.000000 13.673562\nBa Ga Sb Te\n8 4 4 20\ndirect\n0.007168 0.122224 0.825904 Ba\n0.492832 0.377776 0.325904 Ba\n0.507168 0.877776 0.174096 Ba\n0.992832 0.622224 0.674096 Ba\n0.992832 0.877776 0.174096 Ba\n0.507168 0.622224 0.674096 Ba\n0.492832 0.122224 0.825904 Ba\n0.007168 0.377776 0.325904 Ba\n0.250000 0.335245 0.600030 Ga\n0.250000 0.164755 0.100030 Ga\n0.750000 0.664755 0.399970 Ga\n0.750000 0.835245 0.899970 Ga\n0.250000 0.982881 0.528818 Sb\n0.250000 0.517119 0.028818 Sb\n0.750000 0.017119 0.471182 Sb\n0.750000 0.482881 0.971182 Sb\n0.034550 0.176932 0.560614 Te\n0.465450 0.323068 0.060614 Te\n0.534550 0.823068 0.439386 Te\n0.965450 0.676932 0.939386 Te\n0.965450 0.823068 0.439386 Te\n0.534550 0.676932 0.939386 Te\n0.465450 0.176932 0.560614 Te\n0.034550 0.323068 0.060614 Te\n0.250000 0.881210 0.724494 Te\n0.250000 0.618790 0.224494 Te\n0.750000 0.118790 0.275506 Te\n0.750000 0.381210 0.775506 Te\n0.250000 0.397251 0.787911 Te\n0.250000 0.102749 0.287911 Te\n0.750000 0.602749 0.212089 Te\n0.750000 0.897251 0.712089 Te\n0.250000 0.952394 0.989819 Te\n0.250000 0.547606 0.489819 Te\n0.750000 0.047606 0.010181 Te\n0.750000 0.452394 0.510181 Te\n",
"nsites": 36,
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"elements": [
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],
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"structure_string": "Se4 S16 N12 Cl20\n1.0\n7.694863 0.000000 0.000000\n0.000000 10.158860 0.000000\n0.000000 0.000000 17.112202\nSe S N Cl\n4 16 12 20\ndirect\n0.883749 0.930958 0.012735 Se\n0.383749 0.569042 0.987265 Se\n0.616251 0.069042 0.512735 Se\n0.116251 0.430958 0.487265 Se\n0.752293 0.670685 0.256397 S\n0.887384 0.590664 0.813085 S\n0.301815 0.186839 0.825496 S\n0.247707 0.170685 0.243603 S\n0.607835 0.398691 0.657407 S\n0.112616 0.090664 0.686915 S\n0.747707 0.329315 0.756397 S\n0.612616 0.409336 0.313085 S\n0.387384 0.909336 0.186915 S\n0.698185 0.686839 0.674504 S\n0.892165 0.601309 0.157407 S\n0.801815 0.313161 0.174504 S\n0.107835 0.101309 0.342593 S\n0.392165 0.898691 0.842593 S\n0.252293 0.829315 0.743603 S\n0.198185 0.813161 0.325496 S\n0.181508 0.191101 0.750415 N\n0.160304 0.943497 0.697750 N\n0.376619 0.051361 0.850070 N\n0.660304 0.556503 0.302250 N\n0.318492 0.808899 0.250415 N\n0.681508 0.308899 0.249585 N\n0.839696 0.443497 0.802250 N\n0.818492 0.691101 0.749585 N\n0.876619 0.448639 0.149930 N\n0.339696 0.056503 0.197750 N\n0.123381 0.948639 0.350070 N\n0.623381 0.551361 0.649930 N\n0.106585 0.396657 0.338415 Cl\n0.568420 0.392832 0.972114 Cl\n0.112484 0.456479 0.622227 Cl\n0.612484 0.043521 0.377773 Cl\n0.931580 0.607168 0.472114 Cl\n0.606585 0.103343 0.661585 Cl\n0.646142 0.054931 0.026266 Cl\n0.353858 0.554931 0.473734 Cl\n0.431580 0.892832 0.527886 Cl\n0.893415 0.896657 0.161585 Cl\n0.393415 0.603343 0.838415 Cl\n0.306113 0.223071 0.504273 Cl\n0.068420 0.107168 0.027886 Cl\n0.387516 0.543521 0.122227 Cl\n0.146142 0.445069 0.973734 Cl\n0.806113 0.276929 0.495727 Cl\n0.887516 0.956479 0.877773 Cl\n0.193887 0.776929 0.004273 Cl\n0.693887 0.723071 0.995727 Cl\n0.853858 0.945069 0.526266 Cl\n",
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"elements": [
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"N",
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],
"chemical_system": "Cl-N-S-Se",
"density": 2.1177834590799973,
"density_atomic": 0.03887331504932264,
"volume": 1337.6785574891712,
"volume_molar": 15.491708778526041,
"formula_full": "Se4 S16 N12 Cl20",
"formula_reduced": "SeS4N3Cl5",
"formula_anonymous": "AB3C4D5",
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"energy_uncorrected": -213.97010579,
"band_gap": 2.264,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:39:38.688000Z",
"spacegroup": 19
},
{
"id": "mp-765349",
"created_at": "2022-09-04T14:45:18.225721Z",
"structure_string": "Li4 Cr10 Si24 O60\n1.0\n10.227106 0.000000 0.000000\n-5.091354 8.901083 0.000000\n-0.171045 -0.337312 14.694854\nLi Cr Si O\n4 10 24 60\ndirect\n0.339482 0.668613 0.000014 Li\n0.999919 0.006674 0.250027 Li\n0.002266 0.001836 0.750028 Li\n0.665977 0.332440 0.500239 Li\n0.500459 0.998216 0.249551 Cr\n0.501760 0.000326 0.749886 Cr\n0.333042 0.667352 0.747758 Cr\n0.332870 0.666940 0.252082 Cr\n0.496480 0.499267 0.751771 Cr\n0.498895 0.496208 0.251238 Cr\n0.666052 0.332602 0.752347 Cr\n0.667429 0.333678 0.247766 Cr\n0.997626 0.500174 0.748413 Cr\n0.001279 0.500832 0.249306 Cr\n0.234667 0.885982 0.388832 Si\n0.236631 0.889094 0.607589 Si\n0.116643 0.761056 0.891630 Si\n0.119508 0.764913 0.110676 Si\n0.650581 0.883401 0.888156 Si\n0.653023 0.888682 0.107843 Si\n0.645959 0.760899 0.609324 Si\n0.644382 0.761664 0.390936 Si\n0.114300 0.350924 0.611049 Si\n0.108638 0.348190 0.392099 Si\n0.763217 0.647240 0.891381 Si\n0.764732 0.651035 0.110321 Si\n0.235982 0.349304 0.891302 Si\n0.237131 0.352536 0.110593 Si\n0.881406 0.648149 0.387358 Si\n0.885462 0.648911 0.606465 Si\n0.352642 0.236434 0.611325 Si\n0.349297 0.236093 0.391836 Si\n0.348658 0.109755 0.892581 Si\n0.353229 0.115579 0.110880 Si\n0.885759 0.236642 0.888074 Si\n0.889287 0.239862 0.107008 Si\n0.765201 0.115779 0.611020 Si\n0.761264 0.114525 0.391639 Si\n0.222652 0.944084 0.140039 O\n0.212539 0.937711 0.862589 O\n0.054058 0.776605 0.361509 O\n0.057512 0.783225 0.634166 O\n0.253795 0.883180 0.498296 O\n0.349399 0.848756 0.659245 O\n0.343489 0.842157 0.334584 O\n0.143553 0.744184 0.001136 O\n0.492706 0.837138 0.836386 O\n0.495809 0.847366 0.153634 O\n0.721178 0.942253 0.635221 O\n0.715076 0.940003 0.365858 O\n0.162863 0.651838 0.838193 O\n0.164332 0.655735 0.163955 O\n0.614271 0.861944 0.997246 O\n0.617936 0.739029 0.499715 O\n0.149077 0.500313 0.342341 O\n0.158604 0.505300 0.665235 O\n0.727156 0.781096 0.858464 O\n0.728963 0.787162 0.141084 O\n0.496240 0.656252 0.664909 O\n0.491857 0.654346 0.334278 O\n0.778057 0.718924 0.638520 O\n0.776132 0.721771 0.359226 O\n0.114013 0.368932 0.502229 O\n0.349568 0.510620 0.161562 O\n0.352711 0.505263 0.846124 O\n0.941272 0.712649 0.865814 O\n0.946124 0.721230 0.135588 O\n0.249142 0.387378 0.001418 O\n0.743018 0.626995 0.000255 O\n0.058340 0.279184 0.857531 O\n0.060564 0.276961 0.140504 O\n0.653490 0.493898 0.836089 O\n0.656890 0.501146 0.163754 O\n0.860423 0.609497 0.496189 O\n0.228211 0.286719 0.638773 O\n0.217267 0.277048 0.364503 O\n0.510256 0.346819 0.663797 O\n0.505130 0.350550 0.344982 O\n0.273596 0.214767 0.864697 O\n0.282968 0.224802 0.137899 O\n0.846392 0.493019 0.652643 O\n0.836520 0.492242 0.334008 O\n0.390236 0.250631 0.502223 O\n0.376081 0.119049 0.002051 O\n0.839955 0.343666 0.833609 O\n0.847271 0.352035 0.158087 O\n0.272920 0.060037 0.640726 O\n0.273766 0.057694 0.359514 O\n0.499798 0.149884 0.840917 O\n0.506404 0.160787 0.167007 O\n0.883193 0.255872 0.997327 O\n0.654786 0.161063 0.662958 O\n0.648945 0.159711 0.341662 O\n0.748514 0.140866 0.501720 O\n0.944627 0.216980 0.642065 O\n0.937290 0.211979 0.359727 O\n0.777918 0.055994 0.861248 O\n0.784013 0.062051 0.134633 O\n",
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"elements": [
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"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.708266558133114,
"density_atomic": 0.07325970949635305,
"volume": 1337.7066422148255,
"volume_molar": 8.220262954086364,
"formula_full": "Li4 Cr10 Si24 O60",
"formula_reduced": "Li2Cr5(Si2O5)6",
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"energy": -811.4233495100001,
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"updated_at": "2021-11-28T01:37:00.983000Z",
"spacegroup": 1
}
]
}