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{
"id": "mp-864666",
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"structure_string": "Nd6 Si2 Ag2 S14\n1.0\n5.158770 -8.935252 0.000000\n5.158770 8.935252 0.000000\n0.000000 0.000000 5.785584\nNd Si Ag S\n6 2 2 14\ndirect\n0.125302 0.359856 0.247229 Nd\n0.874698 0.640144 0.747229 Nd\n0.640144 0.765446 0.247229 Nd\n0.234554 0.874698 0.247229 Nd\n0.765446 0.125302 0.747229 Nd\n0.359856 0.234554 0.747229 Nd\n0.333333 0.666667 0.659334 Si\n0.666667 0.333333 0.159334 Si\n0.000000 0.000000 0.313360 Ag\n0.000000 0.000000 0.813360 Ag\n0.333333 0.666667 0.025382 S\n0.666667 0.333333 0.525382 S\n0.410114 0.525083 0.513549 S\n0.589886 0.474917 0.013549 S\n0.474917 0.885031 0.513549 S\n0.114969 0.589886 0.513549 S\n0.885031 0.410114 0.013549 S\n0.525083 0.114969 0.013549 S\n0.093772 0.269360 0.765325 S\n0.906228 0.730640 0.265325 S\n0.730640 0.824412 0.765325 S\n0.175588 0.906228 0.765325 S\n0.824412 0.093772 0.265325 S\n0.269360 0.175588 0.265325 S\n",
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{
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"created_at": "2022-09-04T14:39:22.056589Z",
"structure_string": "V18 Ni9 O54\n1.0\n4.877562 -0.103940 -0.019498\n-0.463797 7.035907 -1.678557\n0.054335 0.644502 26.549364\nV Ni O\n18 9 54\ndirect\n0.114400 0.579904 0.921105 V\n0.114619 0.579560 0.587149 V\n0.409855 0.662092 0.258402 V\n0.449418 0.714226 0.702417 V\n0.449783 0.713834 0.822504 V\n0.441009 0.712834 0.369588 V\n0.448989 0.713660 0.488301 V\n0.451176 0.716365 0.036570 V\n0.438611 0.709558 0.153813 V\n0.551131 0.285846 0.844214 V\n0.554458 0.287648 0.964563 V\n0.553968 0.288116 0.510677 V\n0.550921 0.285058 0.630421 V\n0.553941 0.288272 0.182330 V\n0.551759 0.289134 0.294863 V\n0.886471 0.420348 0.745772 V\n0.893477 0.418948 0.411897 V\n0.892719 0.422332 0.079960 V\n0.000868 0.999901 0.666534 Ni\n0.003735 0.000276 0.331660 Ni\n0.002625 0.001287 0.000289 Ni\n0.006188 0.011557 0.889130 Ni\n0.005069 0.010553 0.555561 Ni\n0.005493 0.004085 0.223653 Ni\n0.995373 0.988433 0.777575 Ni\n0.996691 0.992799 0.444359 Ni\n0.004858 0.002812 0.112385 Ni\n0.105685 0.820662 0.933829 O\n0.106010 0.820223 0.600218 O\n0.165751 0.830312 0.268120 O\n0.167653 0.847886 0.713122 O\n0.170902 0.854405 0.379845 O\n0.170277 0.850791 0.047338 O\n0.165805 0.846304 0.827110 O\n0.164271 0.845777 0.493366 O\n0.167288 0.848783 0.159737 O\n0.214935 0.531333 0.751835 O\n0.225485 0.535904 0.417323 O\n0.228158 0.536099 0.087428 O\n0.291772 0.521168 0.861635 O\n0.292119 0.521298 0.527488 O\n0.287408 0.533483 0.193964 O\n0.294513 0.525730 0.974673 O\n0.294314 0.524303 0.640521 O\n0.292253 0.536375 0.309952 O\n0.349629 0.165570 0.997640 O\n0.347627 0.163765 0.663867 O\n0.349436 0.166314 0.796476 O\n0.341609 0.179175 0.331076 O\n0.351002 0.167327 0.463162 O\n0.345143 0.181040 0.132706 O\n0.368838 0.207877 0.900097 O\n0.368291 0.208111 0.566360 O\n0.359027 0.184338 0.232412 O\n0.633542 0.792708 0.766936 O\n0.631537 0.797422 0.432393 O\n0.633683 0.796180 0.101597 O\n0.652096 0.833482 0.870314 O\n0.650059 0.832536 0.536352 O\n0.653876 0.835852 0.669240 O\n0.632570 0.809610 0.210908 O\n0.637509 0.815188 0.325419 O\n0.655201 0.837096 0.003057 O\n0.706234 0.475990 0.692699 O\n0.718466 0.478471 0.360636 O\n0.710661 0.478659 0.026745 O\n0.707717 0.478717 0.805308 O\n0.712322 0.479752 0.471281 O\n0.720403 0.479310 0.138044 O\n0.785443 0.469522 0.915077 O\n0.785377 0.469738 0.581438 O\n0.676920 0.473890 0.248604 O\n0.835470 0.153882 0.839653 O\n0.836465 0.154511 0.506600 O\n0.832185 0.149943 0.175384 O\n0.835182 0.153265 0.953608 O\n0.833629 0.152144 0.620127 O\n0.831525 0.152264 0.286159 O\n0.895360 0.179644 0.732947 O\n0.894038 0.176366 0.398877 O\n0.898021 0.180967 0.066201 O\n",
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"formula_full": "V18 Ni9 O54",
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"spacegroup": 1
},
{
"id": "mp-973636",
"created_at": "2022-09-04T14:39:28.647868Z",
"structure_string": "Lu2 Zn1 Ga1\n1.0\n0.000000 3.493224 3.493224\n3.493224 0.000000 3.493224\n3.493224 3.493224 0.000000\nLu Zn Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
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],
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"density": 9.448016224033845,
"density_atomic": 0.04691920985891239,
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"formula_full": "Lu2 Zn1 Ga1",
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"updated_at": "2021-11-28T01:34:24.738000Z",
"spacegroup": 225
},
{
"id": "mp-974774",
"created_at": "2022-09-04T14:39:07.862111Z",
"structure_string": "Rb3 Tc1\n1.0\n-3.082435 3.082435 5.619647\n3.082435 -3.082435 5.619647\n3.082435 3.082435 -5.619647\nRb Tc\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tc\n",
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"elements": [
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"density": 2.7554345213314835,
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{
"id": "mp-1216403",
"created_at": "2022-09-04T14:39:48.344948Z",
"structure_string": "V1 P3 Pb6 O16\n1.0\n5.939106 0.000000 0.000000\n-2.933217 7.019472 0.000000\n-0.057491 -2.000296 9.461780\nV P Pb O\n1 3 6 16\ndirect\n0.643966 0.794717 0.053082 V\n0.849537 0.200099 0.444207 P\n0.351080 0.200266 0.944921 P\n0.152406 0.800492 0.555564 P\n0.010324 0.371913 0.155254 Pb\n0.650129 0.641003 0.352899 Pb\n0.997257 0.641345 0.842656 Pb\n0.353871 0.357245 0.652560 Pb\n0.294838 0.002089 0.253718 Pb\n0.702689 0.001423 0.746862 Pb\n0.638282 0.708669 0.869627 O\n0.919624 0.277647 0.608213 O\n0.358300 0.279372 0.107677 O\n0.080525 0.722402 0.393140 O\n0.851436 0.729112 0.139047 O\n0.095311 0.261702 0.370274 O\n0.167110 0.262265 0.868012 O\n0.906491 0.738403 0.629442 O\n0.742263 0.043839 0.084282 O\n0.713578 0.975547 0.416426 O\n0.262092 0.974845 0.918143 O\n0.288155 0.024689 0.582955 O\n0.362846 0.702499 0.122357 O\n0.680795 0.289105 0.388029 O\n0.606124 0.287064 0.887055 O\n0.320970 0.712249 0.613599 O\n",
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{
"id": "mp-11037",
"created_at": "2022-09-04T14:39:05.868820Z",
"structure_string": "Lu1 Al8 Fe4\n1.0\n-4.326901 4.326901 2.506573\n4.326901 -4.326901 2.506573\n4.326901 4.326901 -2.506573\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.339167 0.339167 Al\n0.280644 0.500000 0.780644 Al\n0.500000 0.280644 0.780644 Al\n0.500000 0.719356 0.219356 Al\n0.719356 0.500000 0.219356 Al\n0.000000 0.660833 0.660833 Al\n0.339167 0.000000 0.339167 Al\n0.660833 0.000000 0.660833 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n",
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{
"id": "mp-779356",
"created_at": "2022-09-04T14:39:47.311947Z",
"structure_string": "Li7 Mn8 B8 O24\n1.0\n-5.249288 0.000000 0.000000\n-0.015940 -9.146704 0.000000\n2.434504 4.220953 10.458978\nLi Mn B O\n7 8 8 24\ndirect\n0.970402 0.957511 0.084400 Li\n0.730728 0.757019 0.335361 Li\n0.709209 0.712109 0.586912 Li\n0.512368 0.491110 0.839364 Li\n0.226365 0.255633 0.331464 Li\n0.215505 0.217456 0.597882 Li\n0.017197 0.988357 0.835532 Li\n0.981427 0.637040 0.121894 Mn\n0.759444 0.436230 0.364124 Mn\n0.726784 0.054796 0.616287 Mn\n0.477213 0.154496 0.113965 Mn\n0.522534 0.842903 0.870590 Mn\n0.250126 0.936832 0.366704 Mn\n0.232913 0.557177 0.617725 Mn\n0.014108 0.342326 0.868481 Mn\n0.961332 0.304624 0.113480 B\n0.762303 0.114146 0.378006 B\n0.739462 0.397510 0.633558 B\n0.483456 0.826338 0.130597 B\n0.513040 0.178648 0.864351 B\n0.274513 0.608627 0.378941 B\n0.233590 0.891891 0.626827 B\n0.030257 0.680941 0.875155 B\n0.979885 0.887871 0.642408 O\n0.740021 0.346337 0.160010 O\n0.911054 0.294906 0.674614 O\n0.832962 0.500258 0.586282 O\n0.629351 0.714265 0.155305 O\n0.582850 0.925509 0.079344 O\n0.925781 0.823622 0.889855 O\n0.899382 0.568771 0.904076 O\n0.660752 0.998160 0.412965 O\n0.593419 0.208321 0.332174 O\n0.758328 0.150347 0.831753 O\n0.542036 0.633398 0.397970 O\n0.484410 0.390026 0.642966 O\n0.232908 0.845880 0.158347 O\n0.403651 0.786618 0.657997 O\n0.322024 0.001666 0.583515 O\n0.095153 0.181756 0.131034 O\n0.052575 0.397292 0.053297 O\n0.389265 0.307308 0.857169 O\n0.171379 0.487740 0.407510 O\n0.398533 0.072055 0.902714 O\n0.104405 0.703079 0.333706 O\n0.262370 0.647283 0.834831 O\n0.030544 0.134969 0.394529 O\n",
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"elements": [
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],
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"density": 3.1696869492324247,
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"volume": 502.17405991444116,
"volume_molar": 6.434389095373273,
"formula_full": "Li7 Mn8 B8 O24",
"formula_reduced": "Li7Mn8(BO3)8",
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{
"id": "mp-705778",
"created_at": "2022-09-04T14:39:38.139668Z",
"structure_string": "Mn12 Ag16 O32\n1.0\n8.888845 0.000000 0.000000\n0.077084 9.254929 0.000000\n0.073145 0.025888 9.277910\nMn Ag O\n12 16 32\ndirect\n0.126004 0.833331 0.075589 Mn\n0.341962 0.583991 0.121370 Mn\n0.591654 0.377225 0.167400 Mn\n0.090745 0.626960 0.326758 Mn\n0.838292 0.424470 0.369959 Mn\n0.627723 0.169046 0.413770 Mn\n0.877666 0.666267 0.582620 Mn\n0.665747 0.914820 0.628236 Mn\n0.418687 0.129241 0.668371 Mn\n0.919202 0.869498 0.834471 Mn\n0.168632 0.089194 0.878205 Mn\n0.379257 0.331395 0.921238 Mn\n0.989670 0.160641 0.202400 Ag\n0.298869 0.978579 0.335487 Ag\n0.120361 0.362479 0.616028 Ag\n0.407939 0.502271 0.530143 Ag\n0.789695 0.215294 0.913841 Ag\n0.625509 0.623927 0.871254 Ag\n0.177353 0.601338 0.782626 Ag\n0.265457 0.811973 0.590065 Ag\n0.880803 0.902001 0.345182 Ag\n0.952674 0.476118 0.978188 Ag\n0.673242 0.385187 0.691839 Ag\n0.250677 0.285774 0.340628 Ag\n0.987636 0.106094 0.555749 Ag\n0.490511 0.888618 0.949014 Ag\n0.728604 0.994822 0.110228 Ag\n0.546358 0.741700 0.347170 Ag\n0.912428 0.843167 0.036069 O\n0.154782 0.038704 0.078349 O\n0.337123 0.790681 0.096097 O\n0.118202 0.617946 0.112373 O\n0.369402 0.368835 0.132868 O\n0.551558 0.581918 0.150982 O\n0.802220 0.404409 0.168945 O\n0.598529 0.168897 0.212383 O\n0.105044 0.832765 0.283016 O\n0.301969 0.595825 0.326430 O\n0.050567 0.426007 0.339993 O\n0.867583 0.636408 0.365756 O\n0.613734 0.385708 0.382562 O\n0.839814 0.216058 0.397741 O\n0.655714 0.960325 0.423321 O\n0.416469 0.151981 0.459200 O\n0.091712 0.660062 0.533890 O\n0.867114 0.460135 0.576091 O\n0.665547 0.709494 0.595210 O\n0.888214 0.879368 0.619127 O\n0.638927 0.133383 0.632332 O\n0.454717 0.926009 0.662577 O\n0.206265 0.106541 0.674149 O\n0.415737 0.334044 0.712923 O\n0.911642 0.664779 0.788557 O\n0.705305 0.899609 0.829442 O\n0.959019 0.075374 0.838601 O\n0.140335 0.864623 0.864658 O\n0.390101 0.118603 0.882545 O\n0.167952 0.293984 0.906118 O\n0.362715 0.538861 0.919287 O\n0.595373 0.347161 0.962758 O\n",
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