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{
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"results": [
{
"id": "mp-27345",
"created_at": "2022-09-04T14:43:14.122260Z",
"structure_string": "Na6 Bi2 O8\n1.0\n6.803177 0.000000 0.000000\n0.000000 5.758444 0.000000\n0.000000 2.037390 5.600768\nNa Bi O\n6 2 8\ndirect\n0.617573 0.250000 0.000000 Na\n0.605233 0.750000 0.500000 Na\n0.871218 0.250000 0.500000 Na\n0.128782 0.750000 0.500000 Na\n0.382427 0.750000 0.000000 Na\n0.394767 0.250000 0.500000 Na\n0.135932 0.250000 0.000000 Bi\n0.864068 0.750000 0.000000 Bi\n0.345674 0.032314 0.236875 O\n0.345674 0.467686 0.763125 O\n0.654326 0.967686 0.763125 O\n0.654326 0.532314 0.236875 O\n0.101407 0.499859 0.208667 O\n0.101407 0.000141 0.791333 O\n0.898593 0.999859 0.208667 O\n0.898593 0.500141 0.791333 O\n",
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"formula_full": "Na6 Bi2 O8",
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"updated_at": "2021-11-28T01:36:06.120000Z",
"spacegroup": 13
},
{
"id": "mp-735824",
"created_at": "2022-09-04T14:43:14.167570Z",
"structure_string": "K5 Li10 Al5 Si20 O50 F10\n1.0\n6.349631 0.000000 0.000000\n-3.099032 6.353065 0.000000\n-1.357426 -1.383301 33.167085\nK Li Al Si O F\n5 10 5 20 50 10\ndirect\n0.852786 0.225105 0.684123 K\n0.000000 0.000000 0.500000 K\n0.147214 0.774895 0.315877 K\n0.012806 0.446541 0.097825 K\n0.987194 0.553459 0.902175 K\n0.268208 0.336024 0.752821 Li\n0.078118 0.763884 0.808819 Li\n0.162637 0.560366 0.527210 Li\n0.097848 0.171432 0.379246 Li\n0.837363 0.439634 0.472790 Li\n0.921882 0.236116 0.191181 Li\n0.535055 0.886563 0.073176 Li\n0.902152 0.828568 0.620754 Li\n0.731792 0.663976 0.247179 Li\n0.464945 0.113437 0.926824 Li\n0.271161 0.352337 0.616083 Al\n0.504650 0.799300 0.163308 Al\n0.000000 0.000000 0.000000 Al\n0.495350 0.200700 0.836692 Al\n0.728839 0.647663 0.383917 Al\n0.573637 0.342750 0.332278 Si\n0.529234 0.168487 0.225572 Si\n0.693804 0.067706 0.287282 Si\n0.611850 0.823279 0.922118 Si\n0.657671 0.497174 0.014313 Si\n0.927239 0.073444 0.829042 Si\n0.561825 0.599507 0.838165 Si\n0.613666 0.566400 0.535245 Si\n0.737167 0.301387 0.573681 Si\n0.457560 0.026290 0.463677 Si\n0.262833 0.698613 0.426319 Si\n0.438175 0.400493 0.161835 Si\n0.072761 0.926556 0.170958 Si\n0.342329 0.502826 0.985687 Si\n0.388150 0.176721 0.077882 Si\n0.306196 0.932294 0.712718 Si\n0.470766 0.831513 0.774428 Si\n0.542440 0.973710 0.536323 Si\n0.426363 0.657250 0.667722 Si\n0.386334 0.433600 0.464755 Si\n0.610759 0.840507 0.315936 O\n0.376601 0.668349 0.030990 O\n0.530339 0.625275 0.756427 O\n0.427711 0.018780 0.267208 O\n0.192441 0.074842 0.845260 O\n0.803994 0.438436 0.532159 O\n0.227457 0.956540 0.118064 O\n0.365773 0.675825 0.818661 O\n0.184419 0.101717 0.712819 O\n0.335667 0.173988 0.348613 O\n0.366050 0.667045 0.949762 O\n0.552493 0.408876 0.587170 O\n0.199930 0.799482 0.757565 O\n0.306838 0.928478 0.506811 O\n0.348467 0.816169 0.116509 O\n0.430823 0.535157 0.711867 O\n0.515891 0.265458 0.449833 O\n0.981450 0.350378 0.599187 O\n0.593178 0.634841 0.889479 O\n0.342711 0.369053 0.515621 O\n0.378243 0.945633 0.192102 O\n0.779770 0.255961 0.323676 O\n0.637374 0.735092 0.040316 O\n0.190515 0.202636 0.176429 O\n0.843913 0.893780 0.955264 O\n0.809485 0.797364 0.823571 O\n0.220230 0.744039 0.676324 O\n0.621757 0.054367 0.807898 O\n0.018550 0.649622 0.400813 O\n0.484109 0.734542 0.550167 O\n0.569177 0.464843 0.288133 O\n0.651533 0.183831 0.883491 O\n0.800070 0.200518 0.242435 O\n0.447507 0.591124 0.412830 O\n0.633950 0.332955 0.050238 O\n0.664333 0.826012 0.651387 O\n0.815581 0.898283 0.287181 O\n0.156087 0.106220 0.044736 O\n0.634227 0.324175 0.181339 O\n0.772543 0.043460 0.881936 O\n0.196006 0.561564 0.467841 O\n0.807559 0.925158 0.154740 O\n0.362626 0.264908 0.959684 O\n0.572289 0.981220 0.732792 O\n0.469661 0.374725 0.243573 O\n0.623399 0.331651 0.969010 O\n0.657289 0.630947 0.484379 O\n0.406822 0.365159 0.110521 O\n0.389241 0.159493 0.684064 O\n0.693162 0.071522 0.493189 O\n0.005796 0.331330 0.839403 F\n0.161412 0.082982 0.610705 F\n0.011761 0.127166 0.780921 F\n0.134450 0.232001 0.439587 F\n0.865550 0.767999 0.560413 F\n0.988239 0.872834 0.219079 F\n0.838588 0.917018 0.389295 F\n0.948259 0.672324 0.011820 F\n0.994204 0.668670 0.160597 F\n0.051741 0.327676 0.988180 F\n",
"nsites": 100,
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"elements": [
"K",
"Li",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.4219914422834052,
"density_atomic": 0.07474134517006525,
"volume": 1337.9475546293902,
"volume_molar": 8.057308503475976,
"formula_full": "K5 Li10 Al5 Si20 O50 F10",
"formula_reduced": "KLi2AlSi4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
"energy": -650.37845619,
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"updated_at": "2021-11-28T01:36:16.094000Z",
"spacegroup": 2
},
{
"id": "mp-755668",
"created_at": "2022-09-04T14:43:14.185981Z",
"structure_string": "Li8 Ti4 Mn4 O16\n1.0\n-3.092370 -2.909523 4.235712\n3.112011 2.928004 4.268335\n-5.982643 6.358542 0.000001\nLi Ti Mn O\n8 4 4 16\ndirect\n0.249990 0.249991 0.250008 Li\n0.749991 0.749992 0.750009 Li\n0.749991 0.249990 0.750009 Li\n0.249990 0.749991 0.250008 Li\n0.999991 0.499991 0.000009 Li\n0.499991 0.999991 0.500009 Li\n0.499990 0.499990 0.000009 Li\n0.999990 0.999991 0.500009 Li\n0.499987 0.999994 0.000007 Ti\n0.999988 0.499994 0.500007 Ti\n0.999994 0.999994 0.000003 Ti\n0.499993 0.499993 0.500003 Ti\n0.250267 0.750065 0.749796 Mn\n0.749784 0.750079 0.249770 Mn\n0.750079 0.249836 0.250293 Mn\n0.250140 0.250269 0.749902 Mn\n0.499657 0.499744 0.275483 O\n0.999660 0.999756 0.775482 O\n0.000323 0.500226 0.275482 O\n0.500323 0.000238 0.775480 O\n0.999657 0.499746 0.724537 O\n0.499656 0.999756 0.224539 O\n0.500326 0.500228 0.724538 O\n0.000324 0.000237 0.224539 O\n0.250469 0.227465 0.003059 O\n0.750467 0.727462 0.503062 O\n0.249513 0.772519 0.003062 O\n0.749512 0.272514 0.503059 O\n0.750467 0.227464 0.996959 O\n0.250468 0.727464 0.496956 O\n0.749511 0.772516 0.996956 O\n0.249512 0.272515 0.496958 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Li-Mn-O-Ti",
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"density_atomic": 0.10118930647618044,
"volume": 316.23894969111853,
"volume_molar": 5.951360840107732,
"formula_full": "Li8 Ti4 Mn4 O16",
"formula_reduced": "Li2TiMnO4",
"formula_anonymous": "ABC2D4",
"energy": -247.91553692,
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"updated_at": "2021-11-28T01:36:06.875000Z",
"spacegroup": 74
},
{
"id": "mp-632808",
"created_at": "2022-09-04T14:43:15.197779Z",
"structure_string": "Ba1 Li1 H3\n1.0\n5.065786 0.000000 0.000000\n0.000000 5.065786 0.000000\n0.000000 0.000000 5.065786\nBa Li H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n",
"nsites": 5,
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"elements": [
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],
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"density": 1.8814262873902434,
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"volume": 129.99915167544583,
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"formula_full": "Ba1 Li1 H3",
"formula_reduced": "BaLiH3",
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"updated_at": "2021-11-28T01:36:02.834000Z",
"spacegroup": 221
},
{
"id": "mp-1199265",
"created_at": "2022-09-04T14:43:14.057973Z",
"structure_string": "Nb4 Pb4 Se8 O30\n1.0\n3.593872 13.518805 0.000000\n-3.593872 13.518805 0.000000\n0.000000 0.607351 7.855709\nNb Pb Se O\n4 4 8 30\ndirect\n0.921668 0.936299 0.737263 Nb\n0.063701 0.078332 0.762737 Nb\n0.078332 0.063701 0.262737 Nb\n0.936299 0.921668 0.237263 Nb\n0.812519 0.594310 0.683643 Pb\n0.405690 0.187481 0.816357 Pb\n0.187481 0.405690 0.316357 Pb\n0.594310 0.812519 0.183643 Pb\n0.919202 0.702999 0.937318 Se\n0.297001 0.080798 0.562682 Se\n0.080798 0.297001 0.062682 Se\n0.702999 0.919202 0.437318 Se\n0.342865 0.498557 0.513637 Se\n0.501443 0.657135 0.986363 Se\n0.657135 0.501443 0.486363 Se\n0.498557 0.342865 0.013637 Se\n0.047541 0.517800 0.812965 O\n0.482200 0.952459 0.687035 O\n0.952459 0.482200 0.187035 O\n0.517800 0.047541 0.312965 O\n0.702032 0.829884 0.950232 O\n0.170116 0.297968 0.549768 O\n0.297968 0.170116 0.049768 O\n0.829884 0.702032 0.450232 O\n0.845004 0.857760 0.786654 O\n0.142240 0.154996 0.713346 O\n0.154996 0.142240 0.213346 O\n0.857760 0.845004 0.286654 O\n0.200168 0.649432 0.336086 O\n0.350568 0.799832 0.163914 O\n0.799832 0.350568 0.663914 O\n0.649432 0.200168 0.836086 O\n0.340130 0.379540 0.530731 O\n0.620460 0.659870 0.969269 O\n0.659870 0.620460 0.469269 O\n0.379540 0.340130 0.030731 O\n0.196084 0.655457 0.688873 O\n0.344543 0.803916 0.811127 O\n0.803916 0.344543 0.311127 O\n0.655457 0.196084 0.188873 O\n0.850942 0.999491 0.515846 O\n0.000509 0.149058 0.984154 O\n0.149058 0.000509 0.484154 O\n0.999491 0.850942 0.015846 O\n0.996421 0.003579 0.750000 O\n0.003579 0.996421 0.250000 O\n",
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"volume": 763.3369616501556,
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"formula_full": "Nb4 Pb4 Se8 O30",
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"updated_at": "2021-11-28T01:36:21.449000Z",
"spacegroup": 15
},
{
"id": "mp-757649",
"created_at": "2022-09-04T14:43:14.058985Z",
"structure_string": "Li24 Fe8 P16 O64\n1.0\n5.092087 0.000000 0.000000\n0.000000 12.818011 0.000000\n0.000000 6.399281 18.609053\nLi Fe P O\n24 8 16 64\ndirect\n0.702223 0.183560 0.967123 Li\n0.199835 0.285575 0.881482 Li\n0.797777 0.683560 0.967123 Li\n0.791649 0.433010 0.814337 Li\n0.286720 0.251352 0.678741 Li\n0.300165 0.785575 0.881482 Li\n0.690055 0.173291 0.617659 Li\n0.708351 0.933010 0.814337 Li\n0.202433 0.147906 0.536862 Li\n0.213280 0.751352 0.678741 Li\n0.809945 0.673291 0.617659 Li\n0.702433 0.352094 0.463138 Li\n0.297567 0.647906 0.536862 Li\n0.190055 0.326709 0.382341 Li\n0.786720 0.248648 0.321259 Li\n0.797567 0.852094 0.463138 Li\n0.291649 0.066990 0.185663 Li\n0.309945 0.826709 0.382341 Li\n0.699835 0.214425 0.118518 Li\n0.713280 0.748648 0.321259 Li\n0.208351 0.566990 0.185663 Li\n0.202223 0.316440 0.032877 Li\n0.800165 0.714425 0.118518 Li\n0.297777 0.816440 0.032877 Li\n0.211027 0.026346 0.859277 Fe\n0.288973 0.526346 0.859277 Fe\n0.772739 0.386192 0.638416 Fe\n0.272739 0.113808 0.361584 Fe\n0.727261 0.886192 0.638416 Fe\n0.227261 0.613808 0.361584 Fe\n0.711027 0.473654 0.140723 Fe\n0.788973 0.973654 0.140723 Fe\n0.759687 0.424973 0.957445 P\n0.702652 0.194898 0.800189 P\n0.223103 0.994489 0.698021 P\n0.740313 0.924973 0.957445 P\n0.797348 0.694898 0.800189 P\n0.276897 0.494489 0.698021 P\n0.750590 0.114622 0.461278 P\n0.250590 0.385378 0.538722 P\n0.749410 0.614622 0.461278 P\n0.249410 0.885378 0.538722 P\n0.723103 0.505511 0.301979 P\n0.202652 0.305102 0.199811 P\n0.259687 0.075027 0.042555 P\n0.776897 0.005511 0.301979 P\n0.297348 0.805102 0.199811 P\n0.240313 0.575027 0.042555 P\n0.758325 0.035074 0.969693 O\n0.291697 0.179997 0.976826 O\n0.741675 0.535074 0.969693 O\n0.997607 0.424872 0.905080 O\n0.512465 0.403552 0.914824 O\n0.866936 0.088976 0.811530 O\n0.821798 0.269799 0.838629 O\n0.208303 0.679997 0.976826 O\n0.409362 0.166868 0.825211 O\n0.226933 0.468165 0.780491 O\n0.317640 0.110289 0.654339 O\n0.684868 0.249132 0.716254 O\n0.502393 0.924872 0.905080 O\n0.987535 0.903552 0.914824 O\n0.633064 0.588976 0.811530 O\n0.678202 0.769799 0.838629 O\n0.090638 0.666868 0.825211 O\n0.118979 0.401974 0.681549 O\n0.577523 0.482568 0.684036 O\n0.781935 0.149211 0.528839 O\n0.005115 0.319663 0.581730 O\n0.490860 0.331104 0.589773 O\n0.740185 0.993286 0.471438 O\n0.273067 0.968165 0.780491 O\n0.182360 0.610289 0.654339 O\n0.815132 0.749132 0.716254 O\n0.381021 0.901974 0.681549 O\n0.240185 0.506714 0.528562 O\n0.922477 0.982568 0.684036 O\n0.990860 0.168896 0.410227 O\n0.505115 0.180337 0.418270 O\n0.281935 0.350789 0.471161 O\n0.718065 0.649211 0.528839 O\n0.494885 0.819663 0.581730 O\n0.009140 0.831104 0.589773 O\n0.077523 0.017432 0.315964 O\n0.759815 0.493286 0.471438 O\n0.618979 0.098026 0.318451 O\n0.184868 0.250868 0.283746 O\n0.817640 0.389711 0.345661 O\n0.726933 0.031835 0.219509 O\n0.259815 0.006714 0.528562 O\n0.509140 0.668896 0.410227 O\n0.994885 0.680337 0.418270 O\n0.218065 0.850789 0.471161 O\n0.422477 0.517432 0.315964 O\n0.881021 0.598026 0.318451 O\n0.909362 0.333132 0.174789 O\n0.321798 0.230201 0.161371 O\n0.366936 0.411024 0.188470 O\n0.012465 0.096448 0.085176 O\n0.497607 0.075128 0.094920 O\n0.315132 0.750868 0.283746 O\n0.682360 0.889711 0.345661 O\n0.773067 0.531835 0.219509 O\n0.590638 0.833132 0.174789 O\n0.791697 0.320003 0.023174 O\n0.178202 0.730201 0.161371 O\n0.133064 0.911024 0.188470 O\n0.487535 0.596448 0.085176 O\n0.002393 0.575128 0.094920 O\n0.258325 0.464926 0.030307 O\n0.708303 0.820003 0.023174 O\n0.241675 0.964926 0.030307 O\n",
"nsites": 112,
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"formula_full": "Li24 Fe8 P16 O64",
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