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{
"id": "mp-1019609",
"created_at": "2022-09-04T14:40:43.853475Z",
"structure_string": "Cs8 Sr8 Li12 B12 P24 O96\n1.0\n12.878378 0.000000 0.000000\n0.000000 12.878378 0.000000\n0.000000 0.000000 12.878378\nCs Sr Li B P O\n8 8 12 12 24 96\ndirect\n0.648627 0.351373 0.851373 Cs\n0.148627 0.148627 0.148627 Cs\n0.851373 0.648627 0.351373 Cs\n0.351373 0.851373 0.648627 Cs\n0.653560 0.846440 0.153560 Cs\n0.846440 0.153560 0.653560 Cs\n0.346440 0.346440 0.346440 Cs\n0.153560 0.653560 0.846440 Cs\n0.593976 0.593976 0.593976 Sr\n0.406024 0.093976 0.906024 Sr\n0.093976 0.906024 0.406024 Sr\n0.906024 0.406024 0.093976 Sr\n0.429818 0.570182 0.070182 Sr\n0.929818 0.929818 0.929818 Sr\n0.070182 0.429818 0.570182 Sr\n0.570182 0.070182 0.429818 Sr\n0.695400 0.561198 0.097678 Li\n0.902322 0.195400 0.938802 Li\n0.061198 0.402322 0.304600 Li\n0.195400 0.938802 0.902322 Li\n0.402322 0.304600 0.061198 Li\n0.561198 0.097678 0.695400 Li\n0.304600 0.061198 0.402322 Li\n0.097678 0.695400 0.561198 Li\n0.938802 0.902322 0.195400 Li\n0.804600 0.438802 0.597678 Li\n0.597678 0.804600 0.438802 Li\n0.438802 0.597678 0.804600 Li\n0.646111 0.133060 0.121111 B\n0.878889 0.146111 0.366940 B\n0.633060 0.378889 0.353889 B\n0.146111 0.366940 0.878889 B\n0.378889 0.353889 0.633060 B\n0.133060 0.121111 0.646111 B\n0.353889 0.633060 0.378889 B\n0.121111 0.646111 0.133060 B\n0.366940 0.878889 0.146111 B\n0.853889 0.866940 0.621111 B\n0.621111 0.853889 0.866940 B\n0.866940 0.621111 0.853889 B\n0.945382 0.416488 0.817597 P\n0.182403 0.445382 0.083512 P\n0.916488 0.682403 0.054618 P\n0.445382 0.083512 0.182403 P\n0.682403 0.054618 0.916488 P\n0.416488 0.817597 0.945382 P\n0.054618 0.916488 0.682403 P\n0.817597 0.945382 0.416488 P\n0.083512 0.182403 0.445382 P\n0.554618 0.583512 0.317597 P\n0.317597 0.554618 0.583512 P\n0.583512 0.317597 0.554618 P\n0.619262 0.347290 0.138066 P\n0.861934 0.119262 0.152710 P\n0.847290 0.361934 0.380738 P\n0.119262 0.152710 0.861934 P\n0.361934 0.380738 0.847290 P\n0.347290 0.138066 0.619262 P\n0.380738 0.847290 0.361934 P\n0.138066 0.619262 0.347290 P\n0.152710 0.861934 0.119262 P\n0.880738 0.652710 0.638066 P\n0.638066 0.880738 0.652710 P\n0.652710 0.638066 0.880738 P\n0.602429 0.598526 0.210875 O\n0.789125 0.102429 0.901474 O\n0.098526 0.289125 0.397571 O\n0.102429 0.901474 0.789125 O\n0.289125 0.397571 0.098526 O\n0.598526 0.210875 0.602429 O\n0.397571 0.098526 0.289125 O\n0.210875 0.602429 0.598526 O\n0.901474 0.789125 0.102429 O\n0.897571 0.401474 0.710875 O\n0.710875 0.897571 0.401474 O\n0.401474 0.710875 0.897571 O\n0.066841 0.401176 0.801002 O\n0.198998 0.566841 0.098824 O\n0.901176 0.698998 0.933159 O\n0.566841 0.098824 0.198998 O\n0.698998 0.933159 0.901176 O\n0.401176 0.801002 0.066841 O\n0.933159 0.901176 0.698998 O\n0.801002 0.066841 0.401176 O\n0.098824 0.198998 0.566841 O\n0.433159 0.598824 0.301002 O\n0.301002 0.433159 0.598824 O\n0.598824 0.301002 0.433159 O\n0.711938 0.411641 0.101965 O\n0.898035 0.211938 0.088359 O\n0.911641 0.398035 0.288062 O\n0.211938 0.088359 0.898035 O\n0.398035 0.288062 0.911641 O\n0.411641 0.101965 0.711938 O\n0.288062 0.911641 0.398035 O\n0.101965 0.711938 0.411641 O\n0.088359 0.898035 0.211938 O\n0.788062 0.588359 0.601965 O\n0.601965 0.788062 0.588359 O\n0.588359 0.601965 0.788062 O\n0.939326 0.531999 0.859257 O\n0.140743 0.439326 0.968001 O\n0.031999 0.640743 0.060674 O\n0.439326 0.968001 0.140743 O\n0.640743 0.060674 0.031999 O\n0.531999 0.859257 0.939326 O\n0.060674 0.031999 0.640743 O\n0.859257 0.939326 0.531999 O\n0.968001 0.140743 0.439326 O\n0.560674 0.468001 0.359257 O\n0.359257 0.560674 0.468001 O\n0.468001 0.359257 0.560674 O\n0.902395 0.344837 0.901839 O\n0.098161 0.402395 0.155163 O\n0.844837 0.598161 0.097605 O\n0.402395 0.155163 0.098161 O\n0.598161 0.097605 0.844837 O\n0.344837 0.901839 0.902395 O\n0.097605 0.844837 0.598161 O\n0.901839 0.902395 0.344837 O\n0.155163 0.098161 0.402395 O\n0.597605 0.655163 0.401839 O\n0.401839 0.597605 0.655163 O\n0.655163 0.401839 0.597605 O\n0.625564 0.238156 0.082065 O\n0.917935 0.125564 0.261844 O\n0.738156 0.417935 0.374436 O\n0.125564 0.261844 0.917935 O\n0.417935 0.374436 0.738156 O\n0.238156 0.082065 0.625564 O\n0.374436 0.738156 0.417935 O\n0.082065 0.625564 0.238156 O\n0.261844 0.917935 0.125564 O\n0.874436 0.761844 0.582065 O\n0.582065 0.874436 0.761844 O\n0.761844 0.582065 0.874436 O\n0.624298 0.321273 0.256597 O\n0.743403 0.124298 0.178727 O\n0.821273 0.243403 0.375702 O\n0.124298 0.178727 0.743403 O\n0.243403 0.375702 0.821273 O\n0.321273 0.256597 0.624298 O\n0.375702 0.821273 0.243403 O\n0.256597 0.624298 0.321273 O\n0.178727 0.743403 0.124298 O\n0.875702 0.678727 0.756597 O\n0.756597 0.875702 0.678727 O\n0.678727 0.756597 0.875702 O\n0.514506 0.395488 0.109779 O\n0.890221 0.014506 0.104512 O\n0.895488 0.390221 0.485494 O\n0.014506 0.104512 0.890221 O\n0.390221 0.485494 0.895488 O\n0.395488 0.109779 0.514506 O\n0.485494 0.895488 0.390221 O\n0.109779 0.514506 0.395488 O\n0.104512 0.890221 0.014506 O\n0.985494 0.604512 0.609779 O\n0.609779 0.985494 0.604512 O\n0.604512 0.609779 0.985494 O\n",
"nsites": 160,
"nelements": 6,
"elements": [
"Cs",
"Sr",
"Li",
"B",
"P",
"O"
],
"chemical_system": "B-Cs-Li-O-P-Sr",
"density": 3.3091948738225425,
"density_atomic": 0.07490942754362175,
"volume": 2135.9127315026903,
"volume_molar": 8.039229450115807,
"formula_full": "Cs8 Sr8 Li12 B12 P24 O96",
"formula_reduced": "Cs2Sr2Li3B3(PO4)6",
"formula_anonymous": "A2B2C3D3E6F24",
"energy": -1193.94822877,
"energy_per_atom": -7.4621764298125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1127.99622877,
"band_gap": 5.9419,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.702000Z",
"spacegroup": 198
},
{
"id": "mp-706337",
"created_at": "2022-09-04T14:41:06.805915Z",
"structure_string": "K16 Ti8 Cr8 P24 O96\n1.0\n9.940574 0.000000 0.000000\n-0.010294 9.943159 0.000000\n-0.011590 -0.004617 19.886719\nK Ti Cr P O\n16 8 8 24 96\ndirect\n0.957997 0.455646 0.479058 K\n0.958259 0.457387 0.977976 K\n0.820589 0.180896 0.158691 K\n0.816946 0.183370 0.658181 K\n0.680175 0.817512 0.409583 K\n0.684192 0.816979 0.908807 K\n0.541735 0.542858 0.229064 K\n0.543474 0.543995 0.727697 K\n0.455855 0.042783 0.020845 K\n0.455782 0.042893 0.521963 K\n0.315978 0.318267 0.341739 K\n0.316158 0.316621 0.841507 K\n0.179918 0.681184 0.090934 K\n0.184362 0.683212 0.590732 K\n0.043302 0.958734 0.271656 K\n0.043850 0.956260 0.771779 K\n0.892626 0.607543 0.304623 Ti\n0.834953 0.835104 0.581795 Ti\n0.664179 0.163466 0.332937 Ti\n0.663914 0.163091 0.830937 Ti\n0.608311 0.391252 0.053607 Ti\n0.388384 0.892542 0.196247 Ti\n0.332965 0.664440 0.917950 Ti\n0.164350 0.336625 0.667159 Ti\n0.895523 0.605713 0.802620 Cr\n0.838601 0.837119 0.081178 Cr\n0.604779 0.395023 0.552887 Cr\n0.394861 0.894362 0.697019 Cr\n0.337508 0.662862 0.419148 Cr\n0.162331 0.337029 0.168121 Cr\n0.105572 0.105568 0.447707 Cr\n0.105836 0.104770 0.947290 Cr\n0.978513 0.290973 0.311721 P\n0.978062 0.293178 0.812440 P\n0.878074 0.524538 0.146212 P\n0.874763 0.522335 0.646650 P\n0.793306 0.125274 0.489201 P\n0.794645 0.122482 0.988598 P\n0.707158 0.876939 0.237255 P\n0.706643 0.874439 0.738733 P\n0.622454 0.477846 0.397287 P\n0.624107 0.477593 0.895623 P\n0.525360 0.707628 0.061490 P\n0.520889 0.707035 0.562071 P\n0.474614 0.207380 0.188632 P\n0.477436 0.206739 0.687315 P\n0.375698 0.975030 0.354740 P\n0.374861 0.977503 0.853248 P\n0.290813 0.375720 0.012373 P\n0.293103 0.375977 0.510414 P\n0.207661 0.621301 0.262583 P\n0.206885 0.625145 0.760871 P\n0.124993 0.022100 0.603395 P\n0.122150 0.024733 0.102809 P\n0.025619 0.794369 0.438359 P\n0.020698 0.793105 0.937864 P\n0.991715 0.946382 0.116516 O\n0.987874 0.948126 0.613953 O\n0.983338 0.441946 0.334312 O\n0.986865 0.440131 0.836341 O\n0.952399 0.702174 0.385330 O\n0.952667 0.701605 0.886509 O\n0.949481 0.768112 0.005285 O\n0.945712 0.770700 0.504861 O\n0.940149 0.172713 0.493495 O\n0.939954 0.173503 0.993556 O\n0.900029 0.670518 0.126472 O\n0.897969 0.671677 0.625587 O\n0.829726 0.515253 0.220926 O\n0.827457 0.513261 0.720150 O\n0.827914 0.251222 0.301659 O\n0.828143 0.251098 0.801312 O\n0.796885 0.770962 0.273784 O\n0.798624 0.774574 0.774059 O\n0.768785 0.453154 0.101704 O\n0.774583 0.451867 0.600664 O\n0.767171 0.991011 0.026180 O\n0.771399 0.988109 0.525598 O\n0.751024 0.102532 0.414236 O\n0.750315 0.103522 0.914360 O\n0.747735 0.901060 0.164742 O\n0.748901 0.898153 0.664281 O\n0.729166 0.009895 0.277099 O\n0.728170 0.011816 0.775923 O\n0.730097 0.546176 0.350932 O\n0.726426 0.547935 0.851309 O\n0.702149 0.230112 0.023059 O\n0.701337 0.225830 0.523845 O\n0.670615 0.747569 0.049496 O\n0.672065 0.748983 0.551846 O\n0.673799 0.487228 0.469857 O\n0.668986 0.483948 0.970907 O\n0.603569 0.328718 0.375215 O\n0.602070 0.328283 0.875827 O\n0.558295 0.829922 0.242372 O\n0.559734 0.827547 0.743650 O\n0.554643 0.229044 0.254873 O\n0.551934 0.228155 0.756018 O\n0.547511 0.297024 0.135451 O\n0.548319 0.298658 0.637419 O\n0.515115 0.558439 0.084972 O\n0.513553 0.559870 0.586415 O\n0.511238 0.053979 0.363413 O\n0.512005 0.051766 0.864209 O\n0.488518 0.552272 0.886025 O\n0.490976 0.551842 0.383358 O\n0.485434 0.058576 0.164909 O\n0.487245 0.059893 0.663803 O\n0.452738 0.796859 0.114733 O\n0.452682 0.798248 0.613509 O\n0.450042 0.731826 0.494651 O\n0.445878 0.729166 0.995125 O\n0.442273 0.331304 0.008082 O\n0.440330 0.327359 0.506677 O\n0.397896 0.828351 0.874648 O\n0.402031 0.829298 0.373220 O\n0.331535 0.984278 0.278877 O\n0.327577 0.986757 0.779889 O\n0.329709 0.247714 0.200539 O\n0.328532 0.248897 0.699142 O\n0.296566 0.730549 0.226625 O\n0.298736 0.725661 0.726126 O\n0.274836 0.047988 0.899395 O\n0.273680 0.048748 0.398257 O\n0.268308 0.510423 0.474664 O\n0.272667 0.511029 0.973303 O\n0.253388 0.401899 0.085407 O\n0.251182 0.396330 0.585973 O\n0.247350 0.599961 0.335268 O\n0.248893 0.602275 0.835774 O\n0.231837 0.491712 0.222865 O\n0.228508 0.487977 0.724309 O\n0.230917 0.953476 0.148786 O\n0.225575 0.952142 0.649291 O\n0.201581 0.272965 0.476312 O\n0.203286 0.273663 0.975565 O\n0.169953 0.752272 0.450570 O\n0.171738 0.751070 0.948186 O\n0.173955 0.011680 0.030044 O\n0.172342 0.013129 0.529965 O\n0.099610 0.170022 0.123931 O\n0.102151 0.171584 0.624516 O\n0.058143 0.669801 0.257732 O\n0.060026 0.672581 0.756451 O\n0.051134 0.268975 0.244846 O\n0.051416 0.271509 0.744035 O\n0.047081 0.202880 0.363819 O\n0.047824 0.201415 0.862911 O\n0.011459 0.940013 0.413145 O\n0.013350 0.940221 0.913697 O\n0.007959 0.446194 0.133891 O\n0.011774 0.448487 0.635859 O\n",
"nsites": 152,
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"elements": [
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"Ti",
"Cr",
"P",
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],
"chemical_system": "Cr-K-O-P-Ti",
"density": 3.128934716724535,
"density_atomic": 0.07732939348105422,
"volume": 1965.6173824412597,
"volume_molar": 7.787647735107908,
"formula_full": "K16 Ti8 Cr8 P24 O96",
"formula_reduced": "K2TiCr(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -1193.93728357,
"energy_per_atom": -7.854850549802632,
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"energy_uncorrected": -1111.99328357,
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"total_magnetization": 23.9995034,
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"updated_at": "2021-11-28T01:35:14.888000Z",
"spacegroup": 1
},
{
"id": "mp-1198774",
"created_at": "2022-09-04T14:40:33.827592Z",
"structure_string": "Si26 H156 C52\n1.0\n10.184775 -0.025598 2.019963\n4.330549 15.478292 3.926019\n-0.042777 -0.031015 17.940112\nSi H C\n26 156 52\ndirect\n0.751911 0.612744 0.729369 Si\n0.248089 0.387256 0.270631 Si\n0.786662 0.707393 0.802509 Si\n0.213338 0.292607 0.197491 Si\n0.720168 0.852352 0.731728 Si\n0.279832 0.147648 0.268272 Si\n0.610325 0.839006 0.631894 Si\n0.389675 0.160994 0.368106 Si\n0.556646 0.703789 0.669881 Si\n0.443354 0.296211 0.330119 Si\n0.715651 0.474408 0.797518 Si\n0.284349 0.525592 0.202482 Si\n0.894551 0.340684 0.812402 Si\n0.105449 0.659316 0.187598 Si\n0.096200 0.351133 0.847884 Si\n0.903800 0.648867 0.152116 Si\n0.814334 0.237118 0.914516 Si\n0.185666 0.762882 0.085484 Si\n0.952744 0.279552 0.698816 Si\n0.047256 0.720448 0.301184 Si\n0.911115 0.908687 0.675055 Si\n0.088885 0.091313 0.324945 Si\n0.573276 0.950880 0.810579 Si\n0.426724 0.049120 0.189421 Si\n0.497081 0.666373 0.562348 Si\n0.502919 0.333627 0.437652 Si\n0.930868 0.660533 0.627219 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"updated_at": "2021-11-28T01:35:04.259000Z",
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},
{
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"created_at": "2022-09-04T14:39:49.476357Z",
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"structure_string": "Rb16 Er7 Ti9 P24 O96\n1.0\n10.332758 -0.007111 -0.003800\n-0.007074 10.324044 0.004975\n-0.007601 0.009969 20.639447\nRb Er Ti P O\n16 7 9 24 96\ndirect\n0.043679 0.458084 0.269867 Rb\n0.041733 0.456509 0.771813 Rb\n0.179330 0.179815 0.090356 Rb\n0.182102 0.181610 0.588352 Rb\n0.320402 0.820667 0.342047 Rb\n0.321479 0.819005 0.839747 Rb\n0.458364 0.541863 0.021305 Rb\n0.460726 0.545905 0.521741 Rb\n0.542365 0.043260 0.228151 Rb\n0.543597 0.042079 0.729645 Rb\n0.679238 0.320722 0.910482 Rb\n0.680937 0.319169 0.410358 Rb\n0.821359 0.680839 0.160585 Rb\n0.819989 0.679010 0.657722 Rb\n0.957782 0.954257 0.478070 Rb\n0.958059 0.957861 0.979022 Rb\n0.105514 0.599970 0.447949 Er\n0.167805 0.835019 0.168808 Er\n0.333199 0.164119 0.915853 Er\n0.603894 0.903421 0.552623 Er\n0.667216 0.666388 0.832189 Er\n0.836854 0.331600 0.581296 Er\n0.833455 0.336227 0.084150 Er\n0.107073 0.605749 0.946503 Ti\n0.168087 0.836031 0.666742 Ti\n0.334551 0.165320 0.418482 Ti\n0.396157 0.393644 0.196061 Ti\n0.391729 0.393817 0.698479 Ti\n0.607013 0.894213 0.053188 Ti\n0.667445 0.663769 0.332940 Ti\n0.889246 0.105057 0.301323 Ti\n0.895491 0.106087 0.804420 Ti\n0.020485 0.279487 0.431232 P\n0.013658 0.295830 0.934677 P\n0.133201 0.514205 0.102379 P\n0.134624 0.521959 0.609719 P\n0.208891 0.134720 0.262369 P\n0.204694 0.122862 0.754659 P\n0.295174 0.867600 0.007584 P\n0.287886 0.879447 0.509284 P\n0.382651 0.476901 0.351221 P\n0.368919 0.485649 0.853707 P\n0.490566 0.703005 0.188384 P\n0.472393 0.705596 0.686853 P\n0.513582 0.204135 0.065637 P\n0.505206 0.215492 0.563747 P\n0.627360 0.983228 0.391510 P\n0.632936 0.986539 0.897981 P\n0.705356 0.377456 0.245182 P\n0.705169 0.366271 0.741970 P\n0.785662 0.627901 0.488013 P\n0.795545 0.632660 0.992838 P\n0.869261 0.014610 0.146067 P\n0.884971 0.013699 0.651174 P\n0.970987 0.794060 0.312918 P\n0.991062 0.796862 0.811716 P\n0.017585 0.425103 0.116257 O\n0.007052 0.446718 0.619854 O\n0.010450 0.420795 0.408778 O\n0.015341 0.443976 0.917470 O\n0.036958 0.722787 0.368462 O\n0.051402 0.717278 0.868868 O\n0.061428 0.166821 0.261064 O\n0.059272 0.163588 0.757077 O\n0.046515 0.767498 0.250471 O\n0.081102 0.780088 0.751515 O\n0.105287 0.650628 0.127010 O\n0.114920 0.666372 0.630311 O\n0.165542 0.240636 0.440898 O\n0.149592 0.245762 0.949386 O\n0.165610 0.515131 0.028149 O\n0.181714 0.512031 0.539142 O\n0.197665 0.782191 0.476122 O\n0.218736 0.749649 0.977776 O\n0.236505 0.010969 0.223683 O\n0.223405 0.001850 0.710265 O\n0.251724 0.454821 0.140549 O\n0.237603 0.457168 0.654878 O\n0.246153 0.898608 0.075770 O\n0.242481 0.898811 0.581311 O\n0.259519 0.115004 0.333019 O\n0.256107 0.091856 0.822114 O\n0.274480 0.545530 0.388095 O\n0.250626 0.544305 0.891810 O\n0.275005 0.011228 0.470507 O\n0.269298 0.982831 0.962470 O\n0.284273 0.247374 0.229077 O\n0.285874 0.234929 0.723719 O\n0.344575 0.477321 0.277597 O\n0.332611 0.481512 0.780010 O\n0.355672 0.754292 0.204082 O\n0.330270 0.756443 0.695487 O\n0.402326 0.336911 0.377687 O\n0.398827 0.349144 0.877704 O\n0.423628 0.231007 0.008025 O\n0.422437 0.229927 0.500004 O\n0.443513 0.833230 0.009648 O\n0.427363 0.831793 0.504537 O\n0.455801 0.279905 0.125458 O\n0.444770 0.308045 0.616036 O\n0.486457 0.556631 0.168228 O\n0.473890 0.556343 0.671764 O\n0.484839 0.574713 0.866974 O\n0.508469 0.559356 0.360576 O\n0.498940 0.061900 0.384857 O\n0.517752 0.076011 0.883989 O\n0.515112 0.056069 0.082788 O\n0.496990 0.076116 0.589663 O\n0.551654 0.782031 0.131498 O\n0.537580 0.775409 0.630709 O\n0.559998 0.336102 0.243482 O\n0.556797 0.331918 0.740611 O\n0.578967 0.718900 0.249233 O\n0.547755 0.733380 0.749378 O\n0.603774 0.850333 0.873625 O\n0.606111 0.840492 0.368626 O\n0.649225 0.254409 0.051076 O\n0.645345 0.255567 0.548997 O\n0.678604 0.992238 0.460864 O\n0.665463 0.985516 0.972272 O\n0.718903 0.750589 0.022604 O\n0.699503 0.729968 0.519553 O\n0.724980 0.498883 0.289371 O\n0.730952 0.483599 0.786060 O\n0.729302 0.048953 0.345500 O\n0.752169 0.044847 0.860196 O\n0.745798 0.601837 0.924859 O\n0.743198 0.612661 0.414500 O\n0.755990 0.408375 0.177669 O\n0.753464 0.395388 0.673434 O\n0.751169 0.955479 0.108242 O\n0.773369 0.950254 0.613434 O\n0.769350 0.517573 0.038008 O\n0.764029 0.496760 0.522375 O\n0.787148 0.265742 0.275763 O\n0.781231 0.249102 0.772172 O\n0.833011 0.018244 0.219833 O\n0.845191 0.016212 0.724553 O\n0.828176 0.744313 0.303684 O\n0.856235 0.745070 0.795754 O\n0.914307 0.149388 0.625095 O\n0.899321 0.151090 0.122442 O\n0.947303 0.256050 0.495272 O\n0.923745 0.269088 0.992286 O\n0.927707 0.670045 0.493600 O\n0.943732 0.667068 0.990646 O\n0.954112 0.190693 0.379176 O\n0.956062 0.219934 0.874843 O\n0.970186 0.942776 0.328935 O\n0.987048 0.942837 0.832444 O\n0.985961 0.926511 0.133242 O\n0.006501 0.924112 0.641999 O\n",
"nsites": 152,
"nelements": 5,
"elements": [
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"P",
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],
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"density": 3.9583422623224847,
"density_atomic": 0.0690366629856984,
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"volume_molar": 8.723105230691038,
"formula_full": "Rb16 Er7 Ti9 P24 O96",
"formula_reduced": "Rb16Er7Ti9(PO4)24",
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"energy": -1192.38394553,
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"updated_at": "2021-11-28T01:37:46.824000Z",
"spacegroup": 1
},
{
"id": "mp-1200737",
"created_at": "2022-09-04T14:48:13.818108Z",
"structure_string": "Cr4 C128 O20\n1.0\n16.269150 0.000000 0.000000\n0.000000 9.246097 0.000000\n0.000000 8.538475 17.531859\nCr C O\n4 128 20\ndirect\n0.478855 0.850789 0.504804 Cr\n0.021145 0.850789 0.004804 Cr\n0.521145 0.149211 0.495196 Cr\n0.978855 0.149211 0.995196 Cr\n0.370318 0.902827 0.695427 C\n0.129682 0.902827 0.195427 C\n0.629682 0.097173 0.304573 C\n0.870318 0.097173 0.804573 C\n0.389102 0.774298 0.766125 C\n0.110898 0.774298 0.266125 C\n0.610898 0.225702 0.233875 C\n0.889102 0.225702 0.733875 C\n0.457820 0.672709 0.785622 C\n0.042180 0.672709 0.285622 C\n0.542180 0.327291 0.214378 C\n0.957820 0.327291 0.714378 C\n0.468067 0.556980 0.851267 C\n0.031933 0.556980 0.351267 C\n0.531933 0.443020 0.148733 C\n0.968067 0.443020 0.648733 C\n0.414827 0.528175 0.907533 C\n0.085173 0.528175 0.407533 C\n0.585173 0.471825 0.092467 C\n0.914827 0.471825 0.592467 C\n0.347943 0.602056 0.903624 C\n0.152057 0.602056 0.403624 C\n0.652057 0.397944 0.096376 C\n0.847943 0.397944 0.596376 C\n0.327842 0.733666 0.833436 C\n0.172158 0.733666 0.333436 C\n0.672158 0.266334 0.166564 C\n0.827842 0.266334 0.666564 C\n0.260875 0.832287 0.814052 C\n0.239125 0.832287 0.314052 C\n0.739125 0.167713 0.185948 C\n0.760875 0.167713 0.685948 C\n0.236785 0.958143 0.747774 C\n0.263215 0.958143 0.247774 C\n0.763215 0.041857 0.252226 C\n0.736785 0.041857 0.752226 C\n0.165232 0.054042 0.730995 C\n0.334768 0.054042 0.230995 C\n0.834768 0.945958 0.269005 C\n0.665232 0.945958 0.769005 C\n0.154401 0.162645 0.663561 C\n0.345599 0.162645 0.163561 C\n0.845599 0.837355 0.336439 C\n0.654401 0.837355 0.836439 C\n0.207687 0.200301 0.606624 C\n0.292313 0.200301 0.106624 C\n0.792313 0.799699 0.393376 C\n0.707687 0.799699 0.893376 C\n0.274443 0.124601 0.612427 C\n0.225557 0.124601 0.112427 C\n0.725557 0.875399 0.387573 C\n0.774443 0.875399 0.887573 C\n0.299130 0.997755 0.681634 C\n0.200870 0.997755 0.181634 C\n0.700870 0.002245 0.318366 C\n0.799130 0.002245 0.818366 C\n0.287419 0.189105 0.383628 C\n0.212581 0.189105 0.883628 C\n0.712581 0.810895 0.616372 C\n0.787419 0.810895 0.116372 C\n0.294204 0.340665 0.320482 C\n0.205796 0.340665 0.820482 C\n0.705796 0.659335 0.679518 C\n0.794204 0.659335 0.179518 C\n0.361960 0.443825 0.297777 C\n0.138040 0.443825 0.797777 C\n0.638040 0.556175 0.702223 C\n0.861960 0.556175 0.202223 C\n0.363849 0.577378 0.238368 C\n0.136151 0.577378 0.738368 C\n0.636151 0.422622 0.761632 C\n0.863849 0.422622 0.261632 C\n0.298690 0.622900 0.192532 C\n0.201310 0.622900 0.692532 C\n0.701310 0.377100 0.807468 C\n0.798690 0.377100 0.307468 C\n0.229743 0.553184 0.200215 C\n0.270257 0.553184 0.700215 C\n0.770257 0.446816 0.799785 C\n0.729743 0.446816 0.299785 C\n0.219871 0.404451 0.265402 C\n0.280129 0.404451 0.765402 C\n0.780129 0.595549 0.734598 C\n0.719871 0.595549 0.234598 C\n0.152653 0.305993 0.288881 C\n0.347347 0.305993 0.788881 C\n0.847347 0.694007 0.711119 C\n0.652653 0.694007 0.211119 C\n0.137621 0.163568 0.351271 C\n0.362379 0.163568 0.851271 C\n0.862379 0.836432 0.648729 C\n0.637621 0.836432 0.148729 C\n0.064280 0.071414 0.373928 C\n0.435720 0.071414 0.873928 C\n0.935720 0.928586 0.626072 C\n0.564280 0.928586 0.126072 C\n0.068243 0.944567 0.436390 C\n0.431757 0.944567 0.936390 C\n0.931757 0.055433 0.563610 C\n0.568243 0.055433 0.063610 C\n0.131375 0.878089 0.483247 C\n0.368625 0.878089 0.983247 C\n0.868625 0.121911 0.516753 C\n0.631375 0.121911 0.016753 C\n0.199214 0.953623 0.466873 C\n0.300786 0.953623 0.966873 C\n0.800786 0.046377 0.533127 C\n0.699214 0.046377 0.033127 C\n0.214367 0.098714 0.402960 C\n0.285633 0.098714 0.902960 C\n0.785633 0.901286 0.597040 C\n0.714367 0.901286 0.097040 C\n0.496474 0.459982 0.606425 C\n0.003526 0.459982 0.106425 C\n0.503526 0.540018 0.393575 C\n0.996474 0.540018 0.893575 C\n0.468154 0.600538 0.436133 C\n0.031846 0.600538 0.936133 C\n0.531846 0.399462 0.563867 C\n0.968154 0.399462 0.063867 C\n0.424696 0.935384 0.627690 C\n0.075304 0.935384 0.127690 C\n0.575304 0.064616 0.372310 C\n0.924696 0.064616 0.872310 C\n0.362770 0.118017 0.429851 C\n0.137230 0.118017 0.929851 C\n0.637230 0.881983 0.570149 C\n0.862770 0.881983 0.070149 C\n0.445301 0.630025 0.488620 O\n0.054699 0.630025 0.988620 O\n0.554699 0.369975 0.511380 O\n0.945301 0.369975 0.011380 O\n0.427476 0.826028 0.604780 O\n0.072524 0.826028 0.104780 O\n0.572524 0.173972 0.395220 O\n0.927476 0.173972 0.895220 O\n0.375145 0.967487 0.451531 O\n0.124855 0.967487 0.951531 O\n0.624855 0.032513 0.548469 O\n0.875145 0.032513 0.048469 O\n0.461730 0.070744 0.596843 O\n0.038270 0.070744 0.096843 O\n0.538270 0.929256 0.403157 O\n0.961730 0.929256 0.903157 O\n0.410784 0.212180 0.442944 O\n0.089216 0.212180 0.942944 O\n0.589216 0.787820 0.557056 O\n0.910784 0.787820 0.057056 O\n",
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"elements": [
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],
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"formula_full": "Cr4 C128 O20",
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"updated_at": "2021-11-28T01:40:02.561000Z",
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},
{
"id": "mp-1247614",
"created_at": "2022-09-04T14:47:55.096315Z",
"structure_string": "Ca32 Ti12 Mn20 O84\n1.0\n11.149354 -0.042988 -0.131916\n-0.058359 15.464355 -0.008642\n-0.129132 -0.002747 11.121044\nCa Ti Mn O\n32 12 20 84\ndirect\n0.974567 0.122597 0.531545 Ca\n0.978549 0.118690 0.024092 Ca\n0.996931 0.619556 0.526434 Ca\n0.994594 0.618146 0.001145 Ca\n0.539634 0.120038 0.482290 Ca\n0.540594 0.124215 0.986489 Ca\n0.533533 0.627356 0.513314 Ca\n0.544613 0.621705 0.971851 Ca\n0.509477 0.388763 0.987831 Ca\n0.487281 0.376079 0.523285 Ca\n0.535538 0.857907 0.975220 Ca\n0.489384 0.863586 0.500163 Ca\n0.963507 0.387076 0.007927 Ca\n0.956304 0.386209 0.510049 Ca\n0.956548 0.878404 0.997168 Ca\n0.964953 0.868460 0.515302 Ca\n0.243670 0.390554 0.225419 Ca\n0.233048 0.403292 0.759740 Ca\n0.241291 0.880983 0.275492 Ca\n0.229708 0.863326 0.720199 Ca\n0.745982 0.375405 0.251653 Ca\n0.724628 0.388604 0.762325 Ca\n0.741956 0.861831 0.241585 Ca\n0.717874 0.864893 0.736862 Ca\n0.223451 0.121322 0.217367 Ca\n0.228869 0.115219 0.733074 Ca\n0.244702 0.618370 0.273580 Ca\n0.263200 0.625436 0.718784 Ca\n0.765790 0.121243 0.252064 Ca\n0.765053 0.127342 0.753896 Ca\n0.768524 0.612788 0.256436 Ca\n0.771173 0.625496 0.751981 Ca\n0.988639 0.994918 0.265662 Ti\n0.982772 0.994035 0.757357 Ti\n0.002095 0.498866 0.258852 Ti\n0.241333 0.973373 0.019312 Ti\n0.232649 0.002776 0.507500 Ti\n0.253171 0.521655 0.007037 Ti\n0.263681 0.245054 0.938652 Ti\n0.255515 0.238967 0.440302 Ti\n0.264863 0.743321 0.978960 Ti\n0.988279 0.251933 0.271875 Ti\n0.994319 0.257561 0.777207 Ti\n0.999402 0.746973 0.271662 Ti\n0.994296 0.499262 0.757535 Mn\n0.501296 0.989112 0.223387 Mn\n0.499012 0.999578 0.721636 Mn\n0.504730 0.489702 0.247781 Mn\n0.493292 0.501976 0.750488 Mn\n0.232184 0.488667 0.507192 Mn\n0.741584 0.000649 0.988863 Mn\n0.742592 0.995693 0.487234 Mn\n0.751336 0.502056 0.004600 Mn\n0.738718 0.498176 0.506602 Mn\n0.244999 0.743844 0.491432 Mn\n0.745271 0.250513 0.007794 Mn\n0.742960 0.249866 0.504288 Mn\n0.760214 0.747806 0.998185 Mn\n0.749714 0.747882 0.501228 Mn\n0.000896 0.751673 0.752553 Mn\n0.503742 0.256778 0.260475 Mn\n0.507809 0.247248 0.756582 Mn\n0.514439 0.750580 0.262394 Mn\n0.497768 0.747350 0.742963 Mn\n0.098142 0.769494 0.605179 O\n0.561330 0.258544 0.094201 O\n0.566718 0.247914 0.590869 O\n0.606646 0.764814 0.118809 O\n0.605782 0.763459 0.595701 O\n0.384168 0.185156 0.365849 O\n0.388096 0.184235 0.867385 O\n0.407981 0.694666 0.368155 O\n0.411664 0.733073 0.924432 O\n0.924481 0.240274 0.415845 O\n0.923489 0.239417 0.916955 O\n0.910518 0.728518 0.402071 O\n0.916459 0.738725 0.902172 O\n0.168370 0.252959 0.297343 O\n0.176064 0.255143 0.794210 O\n0.165841 0.749308 0.313268 O\n0.175506 0.741626 0.845699 O\n0.658121 0.228365 0.349273 O\n0.661131 0.232525 0.853986 O\n0.662970 0.723334 0.349361 O\n0.643472 0.732416 0.849234 O\n0.355437 0.758189 0.640164 O\n0.857703 0.264078 0.159240 O\n0.874925 0.265991 0.656760 O\n0.891434 0.777321 0.146790 O\n0.849048 0.774085 0.643677 O\n0.357520 0.512185 0.162810 O\n0.347597 0.489336 0.640418 O\n0.354035 0.028903 0.117111 O\n0.364573 0.043321 0.602902 O\n0.866121 0.481586 0.152232 O\n0.845646 0.477084 0.643362 O\n0.862766 0.978125 0.160821 O\n0.859437 0.978206 0.654866 O\n0.176212 0.017568 0.350433 O\n0.236237 0.994533 0.860290 O\n0.160230 0.492924 0.346364 O\n0.161707 0.527415 0.866193 O\n0.628518 0.029537 0.336882 O\n0.625022 0.040233 0.835164 O\n0.630284 0.521839 0.360841 O\n0.640748 0.516036 0.855670 O\n0.395198 0.516152 0.912619 O\n0.900137 0.017232 0.402153 O\n0.897768 0.014186 0.899520 O\n0.907586 0.516848 0.391237 O\n0.895178 0.511102 0.898794 O\n0.118856 0.476259 0.097946 O\n0.092668 0.473073 0.617714 O\n0.101129 0.989702 0.097592 O\n0.109855 0.988056 0.613184 O\n0.606982 0.494988 0.111793 O\n0.594240 0.485180 0.612803 O\n0.595164 0.983886 0.074872 O\n0.601448 0.979612 0.577468 O\n0.005361 0.372777 0.276412 O\n0.018144 0.376244 0.803254 O\n0.021169 0.879080 0.302093 O\n0.028739 0.882432 0.797420 O\n0.449262 0.379255 0.311551 O\n0.487957 0.376665 0.777414 O\n0.454790 0.869737 0.285756 O\n0.493287 0.873397 0.770748 O\n0.479383 0.623833 0.720848 O\n0.003056 0.126666 0.231568 O\n0.012831 0.122438 0.743078 O\n0.011890 0.625272 0.220494 O\n0.987413 0.623882 0.726673 O\n0.177116 0.176522 0.033145 O\n0.182099 0.158718 0.532746 O\n0.223981 0.641630 0.057947 O\n0.217190 0.614273 0.508482 O\n0.752867 0.124435 0.041005 O\n0.754170 0.124665 0.540020 O\n0.760533 0.624893 0.039202 O\n0.749610 0.624636 0.541991 O\n0.272310 0.347055 0.506542 O\n0.292661 0.353642 0.998146 O\n0.278965 0.889938 0.487143 O\n0.262984 0.854285 0.053662 O\n0.748634 0.374084 0.462267 O\n0.746403 0.375085 0.977242 O\n0.757599 0.870848 0.450239 O\n0.748451 0.876731 0.955690 O\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:38:18.352000Z",
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},
{
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"updated_at": "2021-11-28T01:34:38.812000Z",
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}
]
}