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{
"id": "mp-758749",
"created_at": "2022-09-04T14:46:57.896656Z",
"structure_string": "Li4 V2 Fe3 Ni3 O16\n1.0\n2.927987 5.074739 0.000000\n-2.927987 5.074739 0.000000\n0.000000 0.411407 9.484080\nLi V Fe Ni O\n4 2 3 3 16\ndirect\n0.670769 0.670769 0.898046 Li\n0.996600 0.996600 0.990088 Li\n0.002730 0.002730 0.493754 Li\n0.333666 0.333666 0.404245 Li\n0.674969 0.674969 0.492601 V\n0.350075 0.350075 0.989694 V\n0.834485 0.344330 0.216550 Fe\n0.344330 0.834485 0.216550 Fe\n0.170123 0.170123 0.718910 Fe\n0.828946 0.828946 0.214465 Ni\n0.656507 0.174106 0.712904 Ni\n0.174106 0.656507 0.712904 Ni\n0.821767 0.338778 0.595285 O\n0.515651 0.515651 0.340472 O\n0.667229 0.667229 0.104502 O\n0.998590 0.998590 0.303492 O\n0.988782 0.988782 0.799766 O\n0.338778 0.821767 0.595285 O\n0.957085 0.509358 0.356741 O\n0.509358 0.957085 0.356741 O\n0.169959 0.169959 0.087813 O\n0.820196 0.820196 0.584818 O\n0.485530 0.042345 0.840471 O\n0.042345 0.485530 0.840471 O\n0.340819 0.340819 0.610385 O\n0.650372 0.175676 0.088819 O\n0.482116 0.482116 0.853189 O\n0.175676 0.650372 0.088819 O\n",
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{
"id": "mp-26561",
"created_at": "2022-09-04T14:46:57.915434Z",
"structure_string": "Li9 Mo9 P12 O48\n1.0\n8.392856 0.000000 0.000000\n-0.004250 9.152917 0.000000\n-0.067377 -0.949435 12.999596\nLi Mo P O\n9 9 12 48\ndirect\n0.138541 0.224347 0.836100 Li\n0.859782 0.107586 0.497024 Li\n0.362849 0.745772 0.836219 Li\n0.372611 0.404736 0.509394 Li\n0.358000 0.055813 0.168207 Li\n0.627996 0.924098 0.822319 Li\n0.633375 0.592277 0.502066 Li\n0.131200 0.576354 0.166669 Li\n0.873673 0.764063 0.162690 Li\n0.488384 0.330538 0.834523 Mo\n0.509966 0.004537 0.498448 Mo\n0.863526 0.440892 0.836757 Mo\n0.002299 0.837986 0.831477 Mo\n0.000460 0.495388 0.504025 Mo\n0.010682 0.161442 0.168000 Mo\n0.636495 0.274715 0.166617 Mo\n0.136547 0.892619 0.497858 Mo\n0.496314 0.672893 0.164839 Mo\n0.192148 0.852676 0.054453 P\n0.701114 0.974124 0.273767 P\n0.297428 0.357237 0.056567 P\n0.315544 0.677885 0.386862 P\n0.814622 0.487278 0.281247 P\n0.799838 0.809513 0.609874 P\n0.201578 0.194251 0.393098 P\n0.199900 0.523958 0.723726 P\n0.697039 0.311918 0.611376 P\n0.795894 0.136684 0.940644 P\n0.684705 0.655702 0.946283 P\n0.303343 0.021931 0.722611 P\n0.083233 0.099000 0.452447 O\n0.364637 0.839551 0.100985 O\n0.074707 0.750960 0.100222 O\n0.697693 0.684618 0.063363 O\n0.647084 0.812756 0.257263 O\n0.353294 0.517378 0.077695 O\n0.352006 0.847981 0.414001 O\n0.300784 0.995008 0.599074 O\n0.927977 0.587552 0.233237 O\n0.130144 0.007091 0.763110 O\n0.624681 0.157462 0.901747 O\n0.916227 0.235509 0.887280 O\n0.297026 0.315668 0.938997 O\n0.346135 0.186663 0.743666 O\n0.648547 0.484737 0.921136 O\n0.654250 0.147496 0.588975 O\n0.700304 0.336505 0.735245 O\n0.085793 0.417798 0.776696 O\n0.696516 0.024278 0.390189 O\n0.872448 0.988353 0.231472 O\n0.368480 0.508345 0.770612 O\n0.861366 0.659668 0.895011 O\n0.373186 0.179159 0.435811 O\n0.869977 0.327278 0.570792 O\n0.571766 0.752358 0.894612 O\n0.197033 0.824711 0.935053 O\n0.578850 0.416479 0.570606 O\n0.197767 0.482277 0.606391 O\n0.584039 0.068814 0.212298 O\n0.197201 0.144897 0.276471 O\n0.146373 0.684881 0.744757 O\n0.148469 0.355596 0.410535 O\n0.151355 0.019057 0.078902 O\n0.847792 0.976501 0.922776 O\n0.853218 0.648316 0.588872 O\n0.851076 0.317770 0.251912 O\n0.803597 0.851539 0.726905 O\n0.421360 0.918118 0.764208 O\n0.801460 0.511037 0.398418 O\n0.429272 0.578486 0.435900 O\n0.804151 0.179045 0.061624 O\n0.410837 0.250533 0.109726 O\n0.139741 0.672816 0.438826 O\n0.631256 0.824817 0.562582 O\n0.128630 0.342160 0.102477 O\n0.638385 0.492913 0.228449 O\n0.912750 0.914873 0.555284 O\n0.301275 0.651980 0.269649 O\n",
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],
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"volume": 998.6174517701742,
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"formula_full": "Li9 Mo9 P12 O48",
"formula_reduced": "Li3Mo3(PO4)4",
"formula_anonymous": "A3B3C4D16",
"energy": -612.0749410999999,
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"spacegroup": 1
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{
"id": "mp-1191498",
"created_at": "2022-09-04T14:46:57.960971Z",
"structure_string": "La6 Be2 V2 S14\n1.0\n5.097723 -8.829515 0.000000\n5.097723 8.829515 0.000000\n0.000000 0.000000 5.948819\nLa Be V S\n6 2 2 14\ndirect\n0.748531 0.136999 0.747195 La\n0.388468 0.251469 0.747195 La\n0.863001 0.611532 0.747195 La\n0.251469 0.863001 0.247195 La\n0.611532 0.748531 0.247195 La\n0.136999 0.388468 0.247195 La\n0.666667 0.333333 0.160721 Be\n0.333333 0.666667 0.660721 Be\n0.000000 0.000000 0.516939 V\n0.000000 0.000000 0.016939 V\n0.858729 0.076117 0.267895 S\n0.217388 0.141271 0.267895 S\n0.923883 0.782612 0.267895 S\n0.141271 0.923883 0.767895 S\n0.782612 0.858729 0.767895 S\n0.076117 0.217388 0.767895 S\n0.886972 0.404939 0.031318 S\n0.517967 0.113028 0.031318 S\n0.595061 0.482033 0.031318 S\n0.113028 0.595061 0.531318 S\n0.482033 0.886972 0.531318 S\n0.404939 0.517967 0.531318 S\n0.666667 0.333333 0.513921 S\n0.333333 0.666667 0.013921 S\n",
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"volume": 535.5177035466636,
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"formula_full": "La6 Be2 V2 S14",
"formula_reduced": "La3BeVS7",
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},
{
"id": "mp-1188502",
"created_at": "2022-09-04T14:46:58.044629Z",
"structure_string": "Zn2 C4 O12\n1.0\n0.000000 5.410156 0.000000\n-4.186481 2.705078 2.990775\n4.832362 2.705078 6.069920\nZn C O\n2 4 12\ndirect\n0.086511 0.750000 0.750000 Zn\n0.913489 0.250000 0.250000 Zn\n0.536470 0.751402 0.851849 C\n0.639720 0.748598 0.648151 C\n0.463530 0.248598 0.148151 C\n0.360280 0.251402 0.351849 C\n0.710385 0.744488 0.925118 O\n0.879991 0.755512 0.574882 O\n0.289615 0.255512 0.074882 O\n0.120009 0.244488 0.425118 O\n0.286493 0.761681 0.926146 O\n0.474319 0.738319 0.573854 O\n0.713507 0.238319 0.073854 O\n0.525681 0.261681 0.426146 O\n0.283884 0.348785 0.741449 O\n0.874117 0.151215 0.758551 O\n0.716116 0.651215 0.258551 O\n0.125883 0.848785 0.241449 O\n",
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"volume": 215.67106586880377,
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"formula_full": "Zn2 C4 O12",
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"formula_anonymous": "AB2C6",
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{
"id": "mp-1924816",
"created_at": "2022-09-04T14:46:40.489242Z",
"structure_string": "Cr2 F8\n1.0\n4.997437 0.007366 -2.308256\n-1.077315 4.861919 -2.346247\n-0.043196 -0.102607 6.466781\nCr F\n2 8\ndirect\n0.996454 0.500145 0.998867 Cr\n0.500324 0.000541 0.999248 Cr\n0.950130 0.446754 0.234985 F\n0.709065 0.215977 0.757410 F\n0.045742 0.549527 0.761344 F\n0.214411 0.049282 0.763859 F\n0.285076 0.783384 0.240148 F\n0.455420 0.286155 0.242061 F\n0.781166 0.945426 0.233307 F\n0.546861 0.715446 0.756238 F\n",
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{
"id": "mp-1519350",
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"structure_string": "Ca2 La2 Fe2 Bi2 O12\n1.0\n5.798651 0.000000 0.000000\n0.000000 5.798651 0.000000\n0.000000 0.000000 8.507775\nCa La Fe Bi O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 -0.000000 La\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.250000 Bi\n0.000000 0.500000 0.750000 Bi\n-0.000000 -0.000000 0.232705 O\n0.500000 0.500000 0.267295 O\n0.000000 0.000000 0.767295 O\n0.500000 0.500000 0.732705 O\n0.312845 0.135124 0.004660 O\n0.687155 0.864876 0.004660 O\n0.864876 0.312845 0.995340 O\n0.135124 0.687155 0.995340 O\n0.812845 0.364876 0.504660 O\n0.187155 0.635124 0.504660 O\n0.364876 0.187155 0.495340 O\n0.635124 0.812845 0.495340 O\n",
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{
"id": "mp-752633",
"created_at": "2022-09-04T14:46:35.409067Z",
"structure_string": "Mn4 Co2 O12\n1.0\n2.543896 -4.421259 0.000000\n2.543896 4.421259 0.000000\n0.000000 0.000000 9.233608\nMn Co O\n4 2 12\ndirect\n0.833223 0.166777 0.500000 Mn\n0.333223 0.666777 0.000000 Mn\n0.666777 0.333223 0.000000 Mn\n0.166777 0.833223 0.500000 Mn\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.664368 0.664368 0.102756 O\n0.835632 0.835632 0.602756 O\n0.164368 0.164368 0.397244 O\n0.499383 0.836844 0.396153 O\n0.335632 0.335632 0.897244 O\n0.663156 0.000617 0.896153 O\n0.999383 0.336844 0.103847 O\n0.163156 0.500617 0.603847 O\n0.500617 0.163156 0.603847 O\n0.836844 0.499383 0.396153 O\n0.000617 0.663156 0.896153 O\n0.336844 0.999383 0.103847 O\n",
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{
"id": "mp-1045600",
"created_at": "2022-09-04T14:46:58.106677Z",
"structure_string": "Ti4 Al1 Cu3 O12\n1.0\n-3.715503 3.715503 3.715503\n3.715503 -3.715503 3.715503\n3.715503 3.715503 -3.715503\nTi Al Cu O\n4 1 3 12\ndirect\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.294792 0.826584 0.121375 O\n0.705208 0.173416 0.878625 O\n0.705208 0.826584 0.531792 O\n0.878625 0.705208 0.173416 O\n0.826584 0.121375 0.294792 O\n0.173416 0.468208 0.294792 O\n0.468208 0.294792 0.173416 O\n0.173416 0.878625 0.705208 O\n0.294792 0.173416 0.468208 O\n0.121375 0.294792 0.826584 O\n0.826584 0.531792 0.705208 O\n0.531792 0.705208 0.826584 O\n",
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{
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{
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{
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}