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{
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{
"id": "mp-8313",
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"structure_string": "Cs4 Li4 Ge2 O8\n1.0\n5.744546 0.000000 0.000000\n0.356017 5.886724 0.000000\n2.241632 0.795842 9.366214\nCs Li Ge O\n4 4 2 8\ndirect\n0.214323 0.266301 0.987766 Cs\n0.785677 0.733699 0.012234 Cs\n0.485315 0.855146 0.707876 Cs\n0.514685 0.144854 0.292124 Cs\n0.066801 0.813217 0.559677 Li\n0.933199 0.186783 0.440323 Li\n0.694122 0.587199 0.420368 Li\n0.305878 0.412801 0.579632 Li\n0.862924 0.317280 0.704728 Ge\n0.137076 0.682720 0.295272 Ge\n0.018113 0.569671 0.711317 O\n0.981887 0.430329 0.288683 O\n0.903459 0.862335 0.398620 O\n0.096541 0.137665 0.601380 O\n0.734790 0.199058 0.878289 O\n0.265210 0.800942 0.121711 O\n0.353436 0.639780 0.406621 O\n0.646564 0.360220 0.593379 O\n",
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"spacegroup": 2
},
{
"id": "mp-867148",
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"structure_string": "Li1 Hf1 Rh2\n1.0\n0.000000 3.121887 3.121887\n3.121887 0.000000 3.121887\n3.121887 3.121887 0.000000\nLi Hf Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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},
{
"id": "mp-1176742",
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"structure_string": "Li2 Fe4 P10 O30\n1.0\n6.184452 3.860950 0.000000\n-6.184452 3.860950 0.000000\n0.000000 1.847279 13.080493\nLi Fe P O\n2 4 10 30\ndirect\n0.119990 0.952167 0.788248 Li\n0.952167 0.119990 0.288248 Li\n0.789075 0.309166 0.744468 Fe\n0.309166 0.789075 0.244468 Fe\n0.215870 0.274102 0.604619 Fe\n0.274102 0.215870 0.104619 Fe\n0.351974 0.975314 0.510012 P\n0.692740 0.599863 0.558385 P\n0.624930 0.844393 0.838681 P\n0.975314 0.351974 0.010012 P\n0.599863 0.692740 0.058385 P\n0.844393 0.624930 0.338681 P\n0.803735 0.070293 0.527966 P\n0.070293 0.803735 0.027966 P\n0.229887 0.449028 0.810976 P\n0.449028 0.229887 0.310976 P\n0.827672 0.849776 0.811826 O\n0.849776 0.827672 0.311826 O\n0.751412 0.518466 0.651353 O\n0.518466 0.751412 0.151353 O\n0.777528 0.842106 0.556510 O\n0.842106 0.777528 0.056510 O\n0.565619 0.815444 0.961390 O\n0.815444 0.565619 0.461390 O\n0.584722 0.020271 0.795863 O\n0.020271 0.584722 0.295863 O\n0.788630 0.292162 0.957634 O\n0.292162 0.788630 0.457634 O\n0.161268 0.913337 0.924904 O\n0.468252 0.512575 0.544790 O\n0.913337 0.161268 0.424904 O\n0.451561 0.635833 0.803872 O\n0.512575 0.468252 0.044790 O\n0.635833 0.451561 0.303872 O\n0.911108 0.189158 0.615374 O\n0.189158 0.911108 0.115374 O\n0.581078 0.057982 0.545224 O\n0.057982 0.581078 0.045224 O\n0.079264 0.517832 0.769965 O\n0.517832 0.079264 0.269965 O\n0.171721 0.375583 0.930987 O\n0.375583 0.171721 0.430987 O\n0.250822 0.278177 0.760001 O\n0.278177 0.250822 0.260001 O\n0.228417 0.994476 0.602752 O\n0.994476 0.228417 0.102752 O\n",
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"formula_full": "Li2 Fe4 P10 O30",
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},
{
"id": "mp-27818",
"created_at": "2022-09-04T14:44:59.696264Z",
"structure_string": "Mn8 S8 O24\n1.0\n12.441068 0.000000 0.000000\n0.000000 5.496306 0.000000\n0.000000 1.508941 8.290213\nMn S O\n8 8 24\ndirect\n0.920434 0.667254 0.616729 Mn\n0.420434 0.332746 0.883271 Mn\n0.079566 0.332746 0.383271 Mn\n0.579566 0.667254 0.116729 Mn\n0.245960 0.884291 0.158223 Mn\n0.745960 0.115709 0.341777 Mn\n0.754040 0.115709 0.841777 Mn\n0.254040 0.884291 0.658223 Mn\n0.675773 0.520980 0.509269 S\n0.175773 0.479020 0.990731 S\n0.324227 0.479020 0.490731 S\n0.824227 0.520980 0.009269 S\n0.518576 0.913524 0.745383 S\n0.018576 0.086476 0.754617 S\n0.481424 0.086476 0.254617 S\n0.981424 0.913524 0.245383 S\n0.260784 0.266345 0.004015 O\n0.760784 0.733655 0.495985 O\n0.739216 0.733655 0.995985 O\n0.239216 0.266345 0.504015 O\n0.984593 0.670505 0.371585 O\n0.484593 0.329495 0.128415 O\n0.015407 0.329495 0.628415 O\n0.515407 0.670505 0.871585 O\n0.921185 0.095311 0.337301 O\n0.421185 0.904689 0.162699 O\n0.078815 0.904689 0.662699 O\n0.578815 0.095311 0.837301 O\n0.759706 0.281362 0.076201 O\n0.259706 0.718638 0.423799 O\n0.240294 0.718638 0.923799 O\n0.740294 0.281362 0.576201 O\n0.903551 0.974188 0.756134 O\n0.403551 0.025812 0.743866 O\n0.096449 0.025812 0.243866 O\n0.596449 0.974188 0.256134 O\n0.840417 0.473967 0.833979 O\n0.340417 0.526033 0.666021 O\n0.159583 0.526033 0.166021 O\n0.659583 0.473967 0.333979 O\n",
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"elements": [
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],
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"formula_full": "Mn8 S8 O24",
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"updated_at": "2021-11-28T01:36:49.467000Z",
"spacegroup": 14
},
{
"id": "mp-1214030",
"created_at": "2022-09-04T14:44:59.705685Z",
"structure_string": "Cd10 Fe4 P16 O56\n1.0\n4.453928 -5.052243 0.000000\n4.453928 5.052243 0.000000\n0.000000 0.000000 24.489552\nCd Fe P O\n10 4 16 56\ndirect\n0.692616 0.692616 0.500000 Cd\n0.307384 0.307384 0.000000 Cd\n0.081633 0.081633 0.500000 Cd\n0.918367 0.918367 0.000000 Cd\n0.703544 0.296456 0.750000 Cd\n0.296456 0.703544 0.250000 Cd\n0.036916 0.335466 0.636246 Cd\n0.963084 0.664534 0.136246 Cd\n0.664534 0.963084 0.863754 Cd\n0.335466 0.036916 0.363754 Cd\n0.263342 0.581329 0.877679 Fe\n0.736658 0.418671 0.377679 Fe\n0.418671 0.736658 0.622321 Fe\n0.581329 0.263342 0.122321 Fe\n0.203903 0.302866 0.769178 P\n0.796097 0.697134 0.269178 P\n0.697134 0.796097 0.730822 P\n0.302866 0.203903 0.230822 P\n0.749194 0.478754 0.884574 P\n0.250806 0.521246 0.384574 P\n0.521246 0.250806 0.615426 P\n0.478754 0.749194 0.115426 P\n0.196536 0.604285 0.505442 P\n0.803464 0.395715 0.005442 P\n0.395715 0.803464 0.994558 P\n0.604285 0.196536 0.494558 P\n0.925016 0.829798 0.625767 P\n0.074984 0.170202 0.125767 P\n0.170202 0.074984 0.874233 P\n0.829798 0.925016 0.374233 P\n0.247802 0.496683 0.803377 O\n0.752198 0.503317 0.303377 O\n0.503317 0.752198 0.696623 O\n0.496683 0.247802 0.196623 O\n0.001064 0.027021 0.597755 O\n0.998936 0.972979 0.097755 O\n0.972979 0.998936 0.902245 O\n0.027021 0.001064 0.402245 O\n0.032235 0.313184 0.728936 O\n0.967765 0.686816 0.228936 O\n0.686816 0.967765 0.771064 O\n0.313184 0.032235 0.271064 O\n0.766564 0.619153 0.758753 O\n0.233436 0.380847 0.258753 O\n0.380847 0.233436 0.741247 O\n0.619153 0.766564 0.241247 O\n0.695955 0.397020 0.946563 O\n0.304045 0.602980 0.446563 O\n0.602980 0.304045 0.553437 O\n0.397020 0.695955 0.053437 O\n0.380645 0.694871 0.539985 O\n0.619355 0.305129 0.039985 O\n0.305129 0.619355 0.960015 O\n0.694871 0.380645 0.460015 O\n0.093262 0.689608 0.628435 O\n0.906738 0.310392 0.128435 O\n0.310392 0.906738 0.871565 O\n0.689608 0.093262 0.371565 O\n0.728345 0.724500 0.599681 O\n0.271655 0.275500 0.099681 O\n0.275500 0.271655 0.900319 O\n0.724500 0.728345 0.400319 O\n0.966000 0.576673 0.885528 O\n0.034000 0.423327 0.385528 O\n0.423327 0.034000 0.614472 O\n0.576673 0.966000 0.114472 O\n0.373665 0.405968 0.625498 O\n0.626335 0.594032 0.125498 O\n0.594032 0.626335 0.874502 O\n0.405968 0.373665 0.374502 O\n0.035271 0.744503 0.502284 O\n0.964729 0.255497 0.002284 O\n0.255497 0.964729 0.997716 O\n0.744503 0.035271 0.497716 O\n0.109115 0.398252 0.524389 O\n0.890885 0.601748 0.024389 O\n0.601748 0.890885 0.975611 O\n0.398252 0.109115 0.475611 O\n0.114211 0.129214 0.812967 O\n0.885789 0.870786 0.312967 O\n0.870786 0.885789 0.687033 O\n0.129214 0.114211 0.187033 O\n0.705421 0.291661 0.651492 O\n0.294579 0.708339 0.151492 O\n0.708339 0.294579 0.848508 O\n0.291661 0.705421 0.348508 O\n",
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{
"id": "mp-684096",
"created_at": "2022-09-04T14:44:59.712554Z",
"structure_string": "Bi4 P16 O48\n1.0\n9.022894 0.000000 0.000000\n0.000000 7.592665 0.000000\n0.000000 6.157488 15.541063\nBi P O\n4 16 48\ndirect\n0.158624 0.688941 0.854574 Bi\n0.341376 0.688941 0.354574 Bi\n0.841376 0.311059 0.145426 Bi\n0.658624 0.311059 0.645426 Bi\n0.054151 0.658807 0.218317 P\n0.738842 0.635564 0.425389 P\n0.238842 0.364436 0.074611 P\n0.767958 0.233151 0.941405 P\n0.975615 0.899120 0.314662 P\n0.445849 0.658807 0.718317 P\n0.945849 0.341193 0.781683 P\n0.232042 0.766849 0.058595 P\n0.261158 0.364436 0.574611 P\n0.024385 0.100880 0.685338 P\n0.761158 0.635564 0.925389 P\n0.475615 0.100880 0.185338 P\n0.554151 0.341193 0.281683 P\n0.524385 0.899120 0.814662 P\n0.267958 0.766849 0.558595 P\n0.732042 0.233151 0.441405 P\n0.111180 0.264001 0.130136 O\n0.045430 0.187515 0.760571 O\n0.956995 0.534449 0.190530 O\n0.856075 0.201582 0.865138 O\n0.043005 0.465551 0.809470 O\n0.725024 0.577557 0.521309 O\n0.390533 0.248430 0.103135 O\n0.338673 0.567104 0.790946 O\n0.105414 0.914674 0.716611 O\n0.643925 0.201582 0.365138 O\n0.543005 0.534449 0.690530 O\n0.274976 0.422443 0.478691 O\n0.143925 0.798418 0.134862 O\n0.456995 0.465551 0.309470 O\n0.454570 0.187515 0.260571 O\n0.388820 0.264001 0.630136 O\n0.109467 0.248430 0.603135 O\n0.611180 0.735999 0.369864 O\n0.605414 0.085326 0.783389 O\n0.364677 0.895972 0.839756 O\n0.636356 0.100514 0.963418 O\n0.356075 0.798418 0.634862 O\n0.954570 0.812485 0.239429 O\n0.865153 0.194553 0.019743 O\n0.635323 0.104028 0.160244 O\n0.774976 0.577557 0.021309 O\n0.363644 0.899486 0.036582 O\n0.283246 0.549407 0.098450 O\n0.545430 0.812485 0.739429 O\n0.609467 0.751570 0.896865 O\n0.716754 0.450593 0.901550 O\n0.894586 0.085326 0.283389 O\n0.394586 0.914674 0.216611 O\n0.136356 0.899486 0.536582 O\n0.838673 0.432896 0.709054 O\n0.216754 0.549407 0.598450 O\n0.783246 0.450593 0.401550 O\n0.863644 0.100514 0.463418 O\n0.888820 0.735999 0.869864 O\n0.134847 0.805447 0.980257 O\n0.634847 0.194553 0.519743 O\n0.225024 0.422443 0.978691 O\n0.161327 0.567104 0.290946 O\n0.135323 0.895972 0.339756 O\n0.890533 0.751570 0.396865 O\n0.365153 0.805447 0.480257 O\n0.864677 0.104028 0.660244 O\n0.661327 0.432896 0.209054 O\n",
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{
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"structure_string": "Ba2 Sm2 Ti2 Cu2 O11\n1.0\n3.921943 0.000000 0.000000\n0.000000 3.921943 0.000000\n0.000000 0.000000 16.128931\nBa Sm Ti Cu O\n2 2 2 2 11\ndirect\n0.500000 0.500000 0.265928 Ba\n0.500000 0.500000 0.734072 Ba\n0.500000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.123305 Ti\n0.000000 0.000000 0.876695 Ti\n0.000000 0.000000 0.396112 Cu\n0.000000 0.000000 0.603888 Cu\n0.000000 0.500000 0.109323 O\n0.000000 0.500000 0.890677 O\n0.500000 0.000000 0.109323 O\n0.500000 0.000000 0.890677 O\n0.000000 0.500000 0.406758 O\n0.000000 0.500000 0.593242 O\n0.500000 0.000000 0.406758 O\n0.500000 0.000000 0.593242 O\n0.000000 0.000000 0.239302 O\n0.000000 0.000000 0.760698 O\n0.000000 0.000000 0.000000 O\n",
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