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{
"id": "mp-697715",
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{
"id": "mp-572790",
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"structure_string": "Cs8 Mn4 P16 O48\n1.0\n13.468311 0.000000 0.000000\n0.000000 8.121997 0.000000\n0.000000 5.691124 11.460931\nCs Mn P O\n8 4 16 48\ndirect\n0.120223 0.441652 0.636234 Cs\n0.124791 0.069093 0.343600 Cs\n0.624791 0.930907 0.156400 Cs\n0.620223 0.558348 0.863766 Cs\n0.875209 0.930907 0.656400 Cs\n0.379777 0.441652 0.136234 Cs\n0.879777 0.558348 0.363766 Cs\n0.375209 0.069093 0.843600 Cs\n0.355736 0.253254 0.487340 Mn\n0.644264 0.746746 0.512660 Mn\n0.855736 0.746746 0.012660 Mn\n0.144264 0.253254 0.987340 Mn\n0.674610 0.074172 0.829993 P\n0.174610 0.925828 0.670007 P\n0.425083 0.945273 0.379445 P\n0.407541 0.582444 0.587379 P\n0.812657 0.394432 0.701551 P\n0.092459 0.582444 0.087379 P\n0.074917 0.945273 0.879445 P\n0.907541 0.417556 0.912621 P\n0.312657 0.605568 0.798449 P\n0.592459 0.417556 0.412621 P\n0.925083 0.054727 0.120555 P\n0.325390 0.925828 0.170007 P\n0.574917 0.054727 0.620555 P\n0.687343 0.394432 0.201551 P\n0.187343 0.605568 0.298449 P\n0.825390 0.074172 0.329993 P\n0.358462 0.086456 0.389496 O\n0.339421 0.648982 0.665210 O\n0.619647 0.257135 0.540209 O\n0.909949 0.040935 0.249873 O\n0.598550 0.387781 0.133928 O\n0.246400 0.438258 0.848148 O\n0.228493 0.105452 0.602776 O\n0.641538 0.913544 0.610504 O\n0.160579 0.648982 0.165210 O\n0.771507 0.894548 0.397224 O\n0.590051 0.040935 0.749873 O\n0.253600 0.438258 0.348148 O\n0.377287 0.836441 0.105574 O\n0.035200 0.051608 0.104752 O\n0.877287 0.163559 0.394426 O\n0.751326 0.210237 0.228911 O\n0.464800 0.051608 0.604752 O\n0.098550 0.612219 0.366072 O\n0.660579 0.351018 0.334790 O\n0.380353 0.742865 0.459791 O\n0.141538 0.086456 0.889496 O\n0.090051 0.959065 0.750127 O\n0.746400 0.561742 0.651852 O\n0.251326 0.789763 0.271089 O\n0.515303 0.586092 0.615747 O\n0.622713 0.163559 0.894426 O\n0.964800 0.948392 0.895248 O\n0.839421 0.351018 0.834790 O\n0.862703 0.591620 0.906476 O\n0.728493 0.894548 0.897224 O\n0.362703 0.408380 0.593524 O\n0.401450 0.612219 0.866072 O\n0.409949 0.959065 0.250127 O\n0.858462 0.913544 0.110504 O\n0.484697 0.413908 0.384253 O\n0.271507 0.105452 0.102776 O\n0.015303 0.413908 0.884253 O\n0.137297 0.408380 0.093524 O\n0.901450 0.387781 0.633928 O\n0.748674 0.210237 0.728911 O\n0.984697 0.586092 0.115747 O\n0.248674 0.789763 0.771089 O\n0.880353 0.257135 0.040209 O\n0.637297 0.591620 0.406476 O\n0.122713 0.836441 0.605574 O\n0.535200 0.948392 0.395248 O\n0.753600 0.561742 0.151852 O\n0.119647 0.742865 0.959791 O\n",
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],
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"volume": 1253.7064461151988,
"volume_molar": 9.934206171348793,
"formula_full": "Cs8 Mn4 P16 O48",
"formula_reduced": "Cs2Mn(PO3)4",
"formula_anonymous": "AB2C4D12",
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"spacegroup": 14
},
{
"id": "mp-1233995",
"created_at": "2022-09-04T14:41:28.903220Z",
"structure_string": "Ca1 Y5 Mo2 O12\n1.0\n5.971737 0.157394 -0.039852\n-2.810730 6.192776 -1.872393\n-0.048954 0.001350 7.488069\nCa Y Mo O\n1 5 2 12\ndirect\n0.672813 0.309094 0.331486 Ca\n0.418478 0.942953 0.498256 Y\n0.196172 0.386675 0.826500 Y\n0.814989 0.647760 0.150658 Y\n0.818782 0.645243 0.670266 Y\n0.207451 0.401137 0.355998 Y\n0.746532 0.004335 0.995128 Mo\n0.267226 0.999320 0.997819 Mo\n0.015997 0.016249 0.801712 O\n0.018287 0.007556 0.192770 O\n0.496903 0.971853 0.203269 O\n0.485611 0.996072 0.797229 O\n0.578993 0.678809 0.430047 O\n0.943966 0.355778 0.578417 O\n0.414336 0.296235 0.555618 O\n0.418625 0.328306 0.100736 O\n0.077966 0.677084 0.922018 O\n0.590182 0.656024 0.905850 O\n0.926580 0.346687 0.097281 O\n0.067192 0.684681 0.419301 O\n",
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],
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"density": 5.145900559339251,
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"volume": 280.25124756256406,
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"formula_full": "Ca1 Y5 Mo2 O12",
"formula_reduced": "CaY5(MoO6)2",
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"energy": -179.17851919999998,
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},
{
"id": "mp-1282819",
"created_at": "2022-09-04T14:41:28.911872Z",
"structure_string": "Li3 Mn1 V4 O12\n1.0\n-1.546078 1.371913 5.463046\n6.991032 -0.011862 -0.108623\n-0.756239 7.005795 0.072964\nLi Mn V O\n3 1 4 12\ndirect\n0.731602 0.104600 0.116285 Li\n0.292326 0.251809 0.218497 Li\n0.777942 0.781038 0.767974 Li\n0.243778 0.906448 0.916235 Mn\n0.771622 0.200691 0.607778 V\n0.722001 0.606416 0.206425 V\n0.273942 0.387422 0.796765 V\n0.226430 0.809069 0.392586 V\n0.644079 0.014225 0.773383 O\n0.850225 0.781916 0.023860 O\n0.830475 0.107602 0.376814 O\n0.661824 0.369692 0.106868 O\n0.165125 0.215820 0.976711 O\n0.340772 0.978689 0.198220 O\n0.555922 0.349356 0.637498 O\n0.931625 0.633534 0.353270 O\n0.057253 0.356677 0.650676 O\n0.433438 0.634673 0.350277 O\n0.340406 0.623268 0.889658 O\n0.149213 0.887055 0.640219 O\n",
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"elements": [
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],
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"formula_full": "Li3 Mn1 V4 O12",
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},
{
"id": "mp-753237",
"created_at": "2022-09-04T14:41:28.915290Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n4.888170 -2.835124 0.000000\n4.888170 2.835124 0.000000\n3.243806 0.000000 4.627079\nLi Co Ni O\n2 3 1 8\ndirect\n0.874555 0.874555 0.874555 Li\n0.125445 0.125445 0.125445 Li\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Ni\n0.290881 0.735011 0.735011 O\n0.735011 0.290881 0.735011 O\n0.265595 0.265595 0.265595 O\n0.735011 0.735011 0.290881 O\n0.264989 0.264989 0.709119 O\n0.734405 0.734405 0.734405 O\n0.264989 0.709119 0.264989 O\n0.709119 0.264989 0.264989 O\n",
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],
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"formula_full": "Li2 Co3 Ni1 O8",
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"energy": -87.55587861000001,
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{
"id": "mp-758752",
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"structure_string": "Li10 Mn10 O24\n1.0\n5.019663 0.000000 0.000000\n0.586088 8.866527 0.000000\n0.833859 0.904393 9.335173\nLi Mn O\n10 10 24\ndirect\n0.994474 0.173615 0.488340 Li\n0.256238 0.080425 0.006572 Li\n0.380934 0.536449 0.243536 Li\n0.364754 0.869681 0.255475 Li\n0.513641 0.336953 0.490588 Li\n0.481905 0.683573 0.488977 Li\n0.733987 0.910227 0.015509 Li\n0.754969 0.569045 0.011367 Li\n0.886081 0.035947 0.254557 Li\n0.897816 0.377867 0.242947 Li\n0.007002 0.508671 0.495780 Mn\n0.136096 0.289515 0.751104 Mn\n0.110390 0.960397 0.744570 Mn\n0.248896 0.737242 0.003649 Mn\n0.371369 0.212884 0.245941 Mn\n0.512730 0.002713 0.492754 Mn\n0.605638 0.460817 0.750013 Mn\n0.640203 0.791583 0.746847 Mn\n0.750765 0.245127 0.003784 Mn\n0.870551 0.712197 0.252782 Mn\n0.064819 0.584203 0.121805 O\n0.055464 0.869936 0.133070 O\n0.070854 0.214234 0.139103 O\n0.160990 0.668780 0.383416 O\n0.192091 0.358741 0.378139 O\n0.233984 0.042941 0.367727 O\n0.271595 0.128762 0.630162 O\n0.299859 0.455289 0.632924 O\n0.342689 0.839057 0.622755 O\n0.439546 0.293195 0.857905 O\n0.401710 0.911619 0.875667 O\n0.572145 0.084653 0.114922 O\n0.571483 0.370974 0.136395 O\n0.482047 0.622594 0.866897 O\n0.575290 0.726187 0.132918 O\n0.664031 0.170110 0.387044 O\n0.669611 0.859034 0.373328 O\n0.726653 0.537521 0.372358 O\n0.767828 0.626811 0.631716 O\n0.797496 0.961482 0.637031 O\n0.831482 0.340626 0.619570 O\n0.896472 0.413771 0.872573 O\n0.936596 0.798470 0.859617 O\n0.978131 0.119850 0.868830 O\n",
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"formula_full": "Li10 Mn10 O24",
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"energy": -318.50616832000003,
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{
"id": "mp-1096177",
"created_at": "2022-09-04T14:41:28.925576Z",
"structure_string": "Ti2 Cu1 Ir1\n1.0\n-4.772059 5.160123 7.444825\n4.772059 -5.160123 7.444825\n4.772059 5.160123 -7.444825\nTi Cu Ir\n2 1 1\ndirect\n0.000000 0.270537 0.270537 Ti\n0.000000 0.729463 0.729463 Ti\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ir\n",
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"formula_full": "Ti2 Cu1 Ir1",
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"formula_anonymous": "ABC2",
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{
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"structure_string": "Gd1 Al1\n1.0\n3.635824 0.000000 0.000000\n0.000000 3.635824 0.000000\n0.000000 0.000000 3.635824\nGd Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Al\n",
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{
"id": "mp-1047414",
"created_at": "2022-09-04T14:41:28.937575Z",
"structure_string": "Zn4 Fe2 W2 O12\n1.0\n2.633892 -2.702069 -3.773518\n5.251338 5.512589 -0.237982\n2.650753 -2.991943 4.005293\nZn Fe W O\n4 2 2 12\ndirect\n0.513163 0.282599 0.932008 Zn\n0.013027 0.782482 0.431149 Zn\n0.008977 0.240492 0.511663 Zn\n0.509152 0.740975 0.010812 Zn\n0.512523 0.991950 0.508707 Fe\n0.012354 0.491764 0.008401 Fe\n0.510745 0.494955 0.502697 W\n0.010765 0.994923 0.002677 W\n0.220278 0.410759 0.688359 O\n0.720901 0.910027 0.188543 O\n0.162659 0.043221 0.329255 O\n0.662664 0.543381 0.829191 O\n0.646417 0.249572 0.537068 O\n0.146839 0.749673 0.035586 O\n0.315521 0.058762 0.855292 O\n0.815876 0.557967 0.355161 O\n0.874883 0.228472 0.016658 O\n0.375517 0.728620 0.515442 O\n0.348885 0.417561 0.212482 O\n0.849047 0.917845 0.712143 O\n",
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