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{
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{
"id": "mp-1246425",
"created_at": "2022-09-04T14:44:56.624924Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.584044 0.000000 0.000000\n0.000000 7.441082 0.000000\n0.000000 0.000000 10.263846\nZr Cr Ag S\n4 4 4 16\ndirect\n0.750000 0.002788 0.375000 Zr\n0.750000 0.497212 0.875000 Zr\n0.250000 0.997212 0.375000 Zr\n0.250000 0.502788 0.875000 Zr\n0.000508 0.250000 0.625000 Cr\n0.999492 0.750000 0.625000 Cr\n0.500508 0.750000 0.125000 Cr\n0.499492 0.250000 0.125000 Cr\n0.000000 0.000000 0.019375 Ag\n0.500000 0.500000 0.519375 Ag\n0.500000 0.000000 0.730625 Ag\n0.000000 0.500000 0.230625 Ag\n0.001300 0.235544 0.386239 S\n0.792126 0.999798 0.624071 S\n0.998700 0.764456 0.386239 S\n0.707874 0.500202 0.124071 S\n0.501300 0.764456 0.363761 S\n0.292126 0.000202 0.125929 S\n0.498700 0.235544 0.363761 S\n0.707874 0.999798 0.125929 S\n0.501300 0.735544 0.886239 S\n0.292126 0.499798 0.124071 S\n0.498700 0.264456 0.886239 S\n0.207874 0.000202 0.624071 S\n0.001300 0.264456 0.863761 S\n0.792126 0.500202 0.625929 S\n0.998700 0.735544 0.863761 S\n0.207874 0.499798 0.625929 S\n",
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{
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"structure_string": "Li2 V6 F20\n1.0\n6.037957 0.000000 0.000000\n0.000000 3.986790 0.000000\n0.000000 0.199009 15.569620\nLi V F\n2 6 20\ndirect\n0.492092 0.092353 0.393370 Li\n0.507908 0.092353 0.893370 Li\n0.057064 0.010117 0.003752 V\n0.036291 0.005245 0.286525 V\n0.502944 0.020386 0.138254 V\n0.942936 0.010117 0.503752 V\n0.963709 0.005245 0.786525 V\n0.497056 0.020386 0.638254 V\n0.771102 0.005386 0.061878 F\n0.767579 0.026978 0.218903 F\n0.797836 0.986189 0.379886 F\n0.228898 0.005386 0.561878 F\n0.184022 0.025358 0.403603 F\n0.364576 0.028243 0.261119 F\n0.232421 0.026978 0.718903 F\n0.202164 0.986189 0.879886 F\n0.815978 0.025358 0.903603 F\n0.635424 0.028243 0.761119 F\n0.393963 0.076152 0.012114 F\n0.606037 0.076152 0.512114 F\n0.502335 0.520075 0.139625 F\n0.042745 0.509322 0.285325 F\n0.946407 0.511421 0.496367 F\n0.497665 0.520075 0.639625 F\n0.957255 0.509322 0.785325 F\n0.053593 0.511421 0.996367 F\n0.158072 0.970942 0.129847 F\n0.841928 0.970942 0.629847 F\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.099166050735327,
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"volume": 374.79292939032365,
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"formula_full": "Li2 V6 F20",
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"spacegroup": 7
},
{
"id": "mp-1207907",
"created_at": "2022-09-04T14:42:07.129906Z",
"structure_string": "Zn4 Cu8 P4 O36\n1.0\n9.795408 0.000000 0.000000\n0.000000 7.173870 0.000000\n0.000000 2.342372 9.680501\nZn Cu P O\n4 8 4 36\ndirect\n0.569184 0.588816 0.272655 Zn\n0.430816 0.411184 0.727345 Zn\n0.069184 0.411184 0.227345 Zn\n0.930816 0.588816 0.772655 Zn\n0.779482 0.953698 0.150156 Cu\n0.220518 0.046302 0.849844 Cu\n0.279482 0.046302 0.349844 Cu\n0.720518 0.953698 0.650156 Cu\n0.582768 0.994417 0.379438 Cu\n0.417232 0.005583 0.620562 Cu\n0.082768 0.005583 0.120562 Cu\n0.917232 0.994417 0.879438 Cu\n0.792652 0.574579 0.066890 P\n0.207348 0.425421 0.933110 P\n0.292652 0.425421 0.433110 P\n0.707348 0.574579 0.566890 P\n0.944646 0.844514 0.245978 O\n0.055354 0.155486 0.754022 O\n0.444646 0.155486 0.254022 O\n0.555354 0.844514 0.745978 O\n0.651840 0.500450 0.122077 O\n0.348160 0.499550 0.877923 O\n0.151840 0.499550 0.377923 O\n0.848160 0.500450 0.622077 O\n0.614939 0.870652 0.232431 O\n0.385061 0.129348 0.767569 O\n0.114939 0.129348 0.267569 O\n0.885061 0.870652 0.732431 O\n0.409873 0.891042 0.464062 O\n0.590127 0.108958 0.535938 O\n0.909873 0.108958 0.035938 O\n0.090127 0.891042 0.964062 O\n0.894826 0.541134 0.191369 O\n0.105174 0.458866 0.808631 O\n0.394826 0.458866 0.308631 O\n0.605174 0.541134 0.691369 O\n0.660227 0.487386 0.449882 O\n0.339773 0.512614 0.550118 O\n0.160227 0.512614 0.050118 O\n0.839773 0.487386 0.949882 O\n0.342590 0.846750 0.114273 O\n0.657410 0.153250 0.885727 O\n0.842590 0.153250 0.385727 O\n0.157410 0.846750 0.614273 O\n0.250686 0.859674 0.200362 O\n0.749314 0.140326 0.799638 O\n0.750686 0.140326 0.299638 O\n0.249314 0.859674 0.700362 O\n0.780982 0.801477 0.007410 O\n0.219018 0.198523 0.992590 O\n0.280982 0.198523 0.492590 O\n0.719018 0.801477 0.507410 O\n",
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"density": 3.588032412079655,
"density_atomic": 0.07644154866382871,
"volume": 680.2583269039109,
"volume_molar": 7.878098841879703,
"formula_full": "Zn4 Cu8 P4 O36",
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"formula_anonymous": "ABC2D9",
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"spacegroup": 14
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{
"id": "mp-1175510",
"created_at": "2022-09-04T14:41:16.464119Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.210760 -0.019657 -2.787926\n-3.055879 9.632900 0.487028\n-0.241662 -0.302505 5.897455\nLi Mn Co O\n9 2 5 16\ndirect\n0.002280 0.004459 0.506409 Li\n0.000000 0.250000 0.250000 Li\n0.997720 0.495541 0.993591 Li\n0.499615 0.002129 0.002110 Li\n0.500000 0.250000 0.750000 Li\n0.500385 0.497871 0.497890 Li\n0.500000 0.750000 0.250000 Li\n0.000000 0.750000 0.750000 Li\n0.000000 0.250000 0.750000 Li\n0.997860 0.004525 0.002998 Mn\n0.002140 0.495475 0.497002 Mn\n0.000000 0.750000 0.250000 Co\n0.510387 0.009121 0.505515 Co\n0.500000 0.250000 0.250000 Co\n0.489613 0.490879 0.994485 Co\n0.500000 0.750000 0.750000 Co\n0.761113 0.877259 0.115187 O\n0.757983 0.114900 0.879081 O\n0.757056 0.378153 0.593229 O\n0.269413 0.870805 0.622336 O\n0.229344 0.114809 0.357116 O\n0.288292 0.375422 0.126827 O\n0.236247 0.614229 0.848684 O\n0.774941 0.623819 0.370303 O\n0.242944 0.121847 0.906771 O\n0.242017 0.385100 0.620919 O\n0.238887 0.622741 0.384813 O\n0.711708 0.124578 0.373173 O\n0.770656 0.385191 0.142884 O\n0.730587 0.629195 0.877664 O\n0.763753 0.885771 0.651316 O\n0.225059 0.876181 0.129697 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.92550954,
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{
"id": "mp-757273",
"created_at": "2022-09-04T14:48:30.480160Z",
"structure_string": "Li4 Si12 Ni6 O32\n1.0\n6.898547 0.000000 0.000000\n1.351190 9.552744 0.000000\n3.393491 1.461653 9.300055\nLi Si Ni O\n4 12 6 32\ndirect\n0.890661 0.884149 0.467526 Li\n0.840677 0.584344 0.799823 Li\n0.159323 0.415656 0.200177 Li\n0.109339 0.115851 0.532474 Li\n0.994889 0.861859 0.762750 Si\n0.543942 0.864353 0.770864 Si\n0.212898 0.675501 0.948828 Si\n0.259834 0.617168 0.350656 Si\n0.650519 0.603855 0.123938 Si\n0.793101 0.607667 0.378937 Si\n0.206899 0.392333 0.621063 Si\n0.349481 0.396145 0.876062 Si\n0.740166 0.382832 0.649344 Si\n0.787102 0.324499 0.051172 Si\n0.456058 0.135647 0.229136 Si\n0.005111 0.138141 0.237250 Si\n0.423811 0.865143 0.472287 Ni\n0.848700 0.891145 0.097662 Ni\n0.351820 0.883036 0.107632 Ni\n0.648180 0.116964 0.892368 Ni\n0.151300 0.108855 0.902338 Ni\n0.576189 0.134857 0.527713 Ni\n0.939514 0.977040 0.874950 O\n0.443923 0.975251 0.886039 O\n0.134445 0.915489 0.601534 O\n0.532473 0.930157 0.614297 O\n0.789559 0.809201 0.743012 O\n0.068964 0.707480 0.843278 O\n0.276044 0.784122 0.345624 O\n0.442529 0.713351 0.840796 O\n0.650864 0.769919 0.064881 O\n0.720418 0.773179 0.384250 O\n0.126961 0.765318 0.079199 O\n0.236434 0.501271 0.998926 O\n0.226760 0.445785 0.760165 O\n0.040445 0.569663 0.353985 O\n0.411722 0.561782 0.200843 O\n0.316543 0.508078 0.481317 O\n0.683457 0.491922 0.518683 O\n0.588278 0.438218 0.799157 O\n0.959555 0.430337 0.646015 O\n0.773240 0.554215 0.239835 O\n0.763566 0.498729 0.001074 O\n0.873039 0.234682 0.920801 O\n0.279582 0.226821 0.615750 O\n0.349136 0.230081 0.935119 O\n0.557471 0.286649 0.159204 O\n0.723956 0.215878 0.654376 O\n0.931036 0.292520 0.156722 O\n0.210441 0.190799 0.256988 O\n0.467527 0.069843 0.385703 O\n0.865555 0.084511 0.398466 O\n0.556077 0.024749 0.113961 O\n0.060486 0.022960 0.125050 O\n",
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{
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"structure_string": "Li8 V4 P8 O28\n1.0\n-6.640911 0.000000 0.000000\n2.628272 8.939840 0.000000\n-0.283532 -4.249059 -9.515869\nLi V P O\n8 4 8 28\ndirect\n0.050045 0.211575 0.519331 Li\n0.643848 0.076089 0.621072 Li\n0.599194 0.509170 0.973045 Li\n0.163090 0.108383 0.126713 Li\n0.167415 0.486639 0.031533 Li\n0.865184 0.892402 0.891506 Li\n0.346914 0.922923 0.378642 Li\n0.931600 0.829078 0.500105 Li\n0.364746 0.501694 0.739951 V\n0.723547 0.098202 0.225608 V\n0.282409 0.892616 0.771715 V\n0.625555 0.489887 0.251728 V\n0.076728 0.179411 0.797123 P\n0.698186 0.189205 0.945439 P\n0.557022 0.289132 0.461516 P\n0.121261 0.446460 0.297459 P\n0.868650 0.540829 0.698580 P\n0.437953 0.706516 0.532840 P\n0.309259 0.802469 0.052774 P\n0.927368 0.807643 0.196400 P\n0.100597 0.057927 0.855732 O\n0.568444 0.084895 0.803509 O\n0.279135 0.317565 0.820983 O\n0.961599 0.091961 0.647246 O\n0.028396 0.448162 0.689591 O\n0.928313 0.279565 0.905619 O\n0.630790 0.142361 0.456890 O\n0.037312 0.268635 0.283698 O\n0.359053 0.301343 0.536639 O\n0.380609 0.654206 0.960599 O\n0.538370 0.275162 0.309226 O\n0.695223 0.520638 0.795983 O\n0.741037 0.082877 0.015571 O\n0.248470 0.542476 0.454113 O\n0.743900 0.455752 0.540285 O\n0.269212 0.908586 0.982190 O\n0.287929 0.462706 0.193772 O\n0.457788 0.713770 0.682840 O\n0.620390 0.331935 0.037307 O\n0.633716 0.694779 0.455092 O\n0.965541 0.721410 0.724255 O\n0.367338 0.856499 0.543395 O\n0.082119 0.709391 0.092319 O\n0.955233 0.528188 0.295442 O\n0.037354 0.892566 0.346570 O\n0.720319 0.674020 0.170867 O\n0.439952 0.906321 0.194247 O\n0.910737 0.931796 0.137697 O\n",
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{
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"structure_string": "Rb2 Eu2 Mo4 O16\n1.0\n5.341736 5.472545 0.000000\n-5.341736 5.472545 0.000000\n0.000000 5.173409 5.930663\nRb Eu Mo O\n2 2 4 16\ndirect\n0.199587 0.800413 0.750000 Rb\n0.800413 0.199587 0.250000 Rb\n0.769552 0.230448 0.750000 Eu\n0.230448 0.769552 0.250000 Eu\n0.694399 0.696474 0.761490 Mo\n0.305601 0.303526 0.238510 Mo\n0.303526 0.305601 0.738510 Mo\n0.696474 0.694399 0.261490 Mo\n0.616043 0.764374 0.562576 O\n0.383957 0.235626 0.437424 O\n0.235626 0.383957 0.937424 O\n0.764374 0.616043 0.062576 O\n0.383081 0.072343 0.869549 O\n0.616919 0.927657 0.130451 O\n0.927657 0.616919 0.630451 O\n0.072343 0.383081 0.369549 O\n0.581252 0.369590 0.973782 O\n0.418748 0.630410 0.026218 O\n0.630410 0.418748 0.526218 O\n0.369590 0.581252 0.473782 O\n0.792997 0.947792 0.690985 O\n0.207003 0.052208 0.309015 O\n0.052208 0.207003 0.809015 O\n0.947792 0.792997 0.190985 O\n",
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{
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