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{
"id": "mp-677416",
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"structure_string": "Na10 Mg10 In6 S24 O96\n1.0\n-8.766831 0.000000 0.000000\n4.379415 7.902896 0.000000\n4.369275 -1.822153 -28.826151\nNa Mg In S O\n10 10 6 24 96\ndirect\n0.000351 0.999414 0.000473 Na\n0.500286 0.750017 0.250282 Na\n0.750183 0.374995 0.125437 Na\n0.001712 0.500308 0.500710 Na\n0.250206 0.124872 0.375463 Na\n0.503541 0.257707 0.747931 Na\n0.738922 0.872898 0.619840 Na\n0.014824 0.967149 0.721533 Na\n0.235524 0.614213 0.877984 Na\n0.499200 0.877511 0.807761 Na\n0.529077 0.969579 0.088412 Mg\n0.029092 0.720001 0.338352 Mg\n0.970866 0.780029 0.161970 Mg\n0.528991 0.470260 0.589588 Mg\n0.470613 0.529775 0.411988 Mg\n0.722727 0.649671 0.787881 Mg\n0.031976 0.222017 0.837649 Mg\n0.973076 0.288245 0.661887 Mg\n0.275113 0.832945 0.709786 Mg\n0.471824 0.030904 0.912377 Mg\n0.223218 0.408952 0.037381 In\n0.723171 0.158931 0.287412 In\n0.223010 0.908812 0.537688 In\n0.277077 0.341113 0.212982 In\n0.777199 0.091225 0.462981 In\n0.777156 0.589192 0.962875 In\n0.270755 0.128596 0.112540 S\n0.822502 0.054864 0.186310 S\n0.768523 0.228730 0.011701 S\n0.731909 0.520218 0.238541 S\n0.677726 0.695168 0.063591 S\n0.770632 0.878483 0.362500 S\n0.228987 0.621340 0.137588 S\n0.322588 0.804945 0.436327 S\n0.268189 0.979291 0.261454 S\n0.232350 0.270114 0.488809 S\n0.177606 0.445460 0.313698 S\n0.271672 0.630765 0.612990 S\n0.729087 0.371449 0.387632 S\n0.826893 0.561162 0.687719 S\n0.767830 0.728915 0.511395 S\n0.727875 0.016308 0.739317 S\n0.677822 0.196119 0.563894 S\n0.768816 0.376979 0.861662 S\n0.227519 0.117727 0.639008 S\n0.322665 0.304982 0.936485 S\n0.274012 0.486278 0.761612 S\n0.232454 0.770554 0.988593 S\n0.173729 0.939697 0.813212 S\n0.734457 0.869735 0.886568 S\n0.181405 0.490028 0.099759 O\n0.200165 0.594112 0.995494 O\n0.503363 0.537561 0.052068 O\n0.367214 0.788458 0.128218 O\n0.349072 0.888995 0.027725 O\n0.199492 0.178933 0.068416 O\n0.659522 0.843550 0.073052 O\n0.436130 0.131118 0.106783 O\n0.729134 0.019989 0.227754 O\n0.721033 0.090830 0.147095 O\n0.681546 0.240025 0.349833 O\n0.699607 0.180472 0.055758 O\n0.699722 0.343900 0.245607 O\n0.557478 0.518293 0.234265 O\n0.003405 0.287772 0.301995 O\n0.867273 0.538547 0.378240 O\n0.942976 0.230973 0.015900 O\n0.800549 0.567586 0.194382 O\n0.848617 0.638931 0.277651 O\n0.779282 0.659441 0.102820 O\n0.699372 0.928771 0.318333 O\n0.771321 0.730043 0.022103 O\n0.159127 0.593547 0.323285 O\n0.936041 0.881086 0.356739 O\n0.063818 0.619098 0.143352 O\n0.840363 0.906339 0.176670 O\n0.229335 0.770266 0.477743 O\n0.300299 0.570859 0.181604 O\n0.221361 0.841136 0.397071 O\n0.177652 0.991840 0.599521 O\n0.151686 0.860753 0.222277 O\n0.199322 0.931664 0.305544 O\n0.200057 0.093645 0.495796 O\n0.057695 0.267965 0.484450 O\n0.132658 0.961273 0.121796 O\n0.996979 0.212349 0.197702 O\n0.503894 0.037919 0.552188 O\n0.366838 0.286411 0.630677 O\n0.442711 0.981496 0.265684 O\n0.300224 0.155604 0.254394 O\n0.300820 0.317254 0.444595 O\n0.349059 0.388454 0.528004 O\n0.317480 0.259918 0.150223 O\n0.279021 0.409502 0.352896 O\n0.201744 0.681511 0.568325 O\n0.271434 0.480898 0.272254 O\n0.658588 0.343702 0.573507 O\n0.438281 0.634262 0.607161 O\n0.563853 0.369132 0.393355 O\n0.340439 0.656416 0.426655 O\n0.734265 0.530764 0.728465 O\n0.800337 0.320968 0.431690 O\n0.726138 0.595720 0.647414 O\n0.692543 0.747933 0.847312 O\n0.651242 0.610692 0.472204 O\n0.698641 0.681042 0.555429 O\n0.711643 0.848442 0.750382 O\n0.550854 0.005549 0.733710 O\n0.632571 0.711213 0.371772 O\n0.497232 0.962414 0.447755 O\n0.994421 0.793308 0.802096 O\n0.872065 0.040804 0.879264 O\n0.942319 0.731298 0.515606 O\n0.799892 0.905508 0.504492 O\n0.804223 0.063165 0.695556 O\n0.842327 0.142636 0.777933 O\n0.817411 0.009875 0.400172 O\n0.779314 0.160475 0.603275 O\n0.702440 0.431988 0.818896 O\n0.771750 0.231174 0.522500 O\n0.167541 0.096040 0.822869 O\n0.935596 0.378836 0.857207 O\n0.061307 0.116173 0.645677 O\n0.844746 0.411536 0.678033 O\n0.229087 0.269771 0.977916 O\n0.289001 0.058466 0.682419 O\n0.221708 0.341746 0.897348 O\n0.155330 0.361771 0.722930 O\n0.201449 0.439585 0.805759 O\n0.058066 0.768617 0.984199 O\n0.134060 0.459402 0.620291 O\n0.004192 0.717218 0.698141 O\n0.448339 0.492558 0.767151 O\n0.297521 0.659060 0.752391 O\n0.301888 0.818097 0.944472 O\n0.311546 0.755530 0.650915 O\n0.277303 0.901113 0.852194 O\n0.266207 0.967546 0.771621 O\n0.564894 0.867554 0.890393 O\n0.340167 0.156293 0.926693 O\n0.798518 0.817405 0.931115 O\n0.652152 0.110400 0.972444 O\n0.630344 0.206191 0.870386 O\n0.497144 0.462043 0.948244 O\n0.800315 0.405078 0.004955 O\n0.814963 0.502258 0.901328 O\n",
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"elements": [
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"In",
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],
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"density_atomic": 0.07310335301288567,
"volume": 1997.1724138872958,
"volume_molar": 8.237844793437175,
"formula_full": "Na10 Mg10 In6 S24 O96",
"formula_reduced": "Na5Mg5In3(SO4)12",
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"energy": -942.03683365,
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"updated_at": "2021-11-28T01:37:46.180000Z",
"spacegroup": 1
},
{
"id": "mp-1173803",
"created_at": "2022-09-04T14:41:36.565993Z",
"structure_string": "Na9 Ca3 Fe12 Si24 O72\n1.0\n7.589544 0.000000 0.000000\n-2.061316 9.171427 0.000000\n-1.337433 -4.225952 19.456772\nNa Ca Fe Si O\n9 3 12 24 72\ndirect\n0.778527 0.476538 0.566857 Na\n0.772926 0.471565 0.898940 Na\n0.723594 0.022986 0.100772 Na\n0.725781 0.027326 0.433105 Na\n0.724737 0.027700 0.766925 Na\n0.273012 0.971563 0.233150 Na\n0.225520 0.528053 0.100015 Na\n0.222584 0.524077 0.433998 Na\n0.224262 0.523679 0.767097 Na\n0.781084 0.480103 0.233043 Ca\n0.270577 0.969599 0.565377 Ca\n0.280961 0.979093 0.900116 Ca\n0.925684 0.831557 0.300397 Fe\n0.920079 0.821832 0.634941 Fe\n0.921222 0.821371 0.968178 Fe\n0.421971 0.322291 0.301185 Fe\n0.426714 0.329936 0.633627 Fe\n0.426490 0.331765 0.966332 Fe\n0.572676 0.671810 0.033704 Fe\n0.575281 0.678443 0.366985 Fe\n0.577161 0.677542 0.699652 Fe\n0.075463 0.177613 0.033833 Fe\n0.072566 0.171407 0.366662 Fe\n0.073166 0.174546 0.700871 Fe\n0.965955 0.768051 0.126584 Si\n0.964312 0.766644 0.457983 Si\n0.963825 0.765661 0.793343 Si\n0.807842 0.429470 0.065534 Si\n0.807685 0.426168 0.400011 Si\n0.807410 0.426259 0.732808 Si\n0.464413 0.265774 0.125864 Si\n0.692810 0.074791 0.267758 Si\n0.465562 0.267499 0.460203 Si\n0.695886 0.073306 0.600082 Si\n0.466119 0.268196 0.792398 Si\n0.307712 0.925948 0.066673 Si\n0.697168 0.070971 0.933737 Si\n0.532635 0.733119 0.207288 Si\n0.308151 0.929714 0.398636 Si\n0.532666 0.728719 0.540046 Si\n0.307384 0.929078 0.732465 Si\n0.533490 0.729087 0.872918 Si\n0.197069 0.571350 0.267141 Si\n0.193906 0.572904 0.600847 Si\n0.193105 0.574645 0.934314 Si\n0.033620 0.229582 0.206566 Si\n0.033343 0.233800 0.539703 Si\n0.032846 0.232991 0.873894 Si\n0.954089 0.852305 0.202504 O\n0.835955 0.799901 0.063732 O\n0.965669 0.854706 0.535432 O\n0.830708 0.800808 0.398531 O\n0.922602 0.583247 0.122319 O\n0.965720 0.847778 0.873061 O\n0.828806 0.803459 0.736079 O\n0.959629 0.345116 0.035816 O\n0.922676 0.583653 0.452526 O\n0.675954 0.480502 0.012299 O\n0.960256 0.345130 0.369202 O\n0.923850 0.582833 0.786462 O\n0.669179 0.469321 0.343261 O\n0.683074 0.326896 0.113457 O\n0.960522 0.344951 0.702032 O\n0.815744 0.181442 0.221037 O\n0.666706 0.470973 0.678225 O\n0.464752 0.348366 0.205633 O\n0.681429 0.324263 0.446398 O\n0.331389 0.302009 0.067083 O\n0.817082 0.176564 0.553211 O\n0.830969 0.037814 0.324142 O\n0.454438 0.349156 0.538307 O\n0.682947 0.319872 0.777620 O\n0.538446 0.156481 0.297588 O\n0.336227 0.301571 0.398371 O\n0.422919 0.083339 0.119926 O\n0.815689 0.175097 0.886319 O\n0.832883 0.033617 0.656504 O\n0.453960 0.353285 0.868255 O\n0.577895 0.916835 0.214944 O\n0.534835 0.151424 0.627337 O\n0.336270 0.298852 0.729107 O\n0.461096 0.846071 0.035571 O\n0.421919 0.083757 0.456184 O\n0.169391 0.970535 0.010363 O\n0.837630 0.026307 0.988455 O\n0.575220 0.914462 0.547657 O\n0.538391 0.142980 0.963341 O\n0.654060 0.686745 0.266820 O\n0.461045 0.847007 0.368715 O\n0.420875 0.083533 0.788775 O\n0.545221 0.652022 0.128993 O\n0.176393 0.981780 0.345790 O\n0.182417 0.822214 0.111873 O\n0.577973 0.913085 0.879593 O\n0.652762 0.689799 0.601565 O\n0.459645 0.846476 0.702114 O\n0.315362 0.675604 0.219820 O\n0.542013 0.649669 0.461398 O\n0.179248 0.980170 0.677098 O\n0.184246 0.824246 0.444938 O\n0.663653 0.697253 0.934736 O\n0.313421 0.680402 0.553618 O\n0.541076 0.648125 0.794662 O\n0.337780 0.526214 0.321696 O\n0.181878 0.828501 0.780376 O\n0.038367 0.642870 0.296822 O\n0.315493 0.681424 0.887542 O\n0.336379 0.527626 0.654829 O\n0.077853 0.413280 0.213087 O\n0.043856 0.651728 0.633429 O\n0.331451 0.537359 0.990700 O\n0.079293 0.416137 0.546804 O\n0.038964 0.656065 0.964102 O\n0.164230 0.197817 0.268358 O\n0.042688 0.148618 0.128399 O\n0.077868 0.416535 0.881463 O\n0.165235 0.195473 0.600136 O\n0.045035 0.151388 0.462067 O\n0.154869 0.187048 0.933461 O\n0.045479 0.151978 0.795375 O\n",
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{
"id": "mp-646720",
"created_at": "2022-09-04T14:39:12.247522Z",
"structure_string": "V16 Cu8 P16 O80\n1.0\n7.457313 0.000000 0.000000\n0.000000 12.778641 0.000000\n0.000000 0.000000 14.732969\nV Cu P O\n16 8 16 80\ndirect\n0.714646 0.253682 0.487835 V\n0.527685 0.981461 0.736226 V\n0.285354 0.753682 0.012165 V\n0.972315 0.018539 0.236226 V\n0.027685 0.518539 0.263774 V\n0.972315 0.481461 0.736226 V\n0.785354 0.753682 0.487835 V\n0.472315 0.018539 0.263774 V\n0.527685 0.518539 0.236226 V\n0.714646 0.246318 0.987835 V\n0.472315 0.481461 0.763774 V\n0.027685 0.981461 0.763774 V\n0.785354 0.746318 0.987835 V\n0.214646 0.253682 0.012165 V\n0.214646 0.246318 0.512165 V\n0.285354 0.746318 0.512165 V\n0.874806 0.118979 0.627247 Cu\n0.625194 0.881021 0.127247 Cu\n0.874806 0.381021 0.127247 Cu\n0.374806 0.118979 0.872753 Cu\n0.374806 0.381021 0.372753 Cu\n0.125194 0.881021 0.372753 Cu\n0.125194 0.618979 0.872753 Cu\n0.625194 0.618979 0.627247 Cu\n0.736252 0.501997 0.436114 P\n0.263748 0.001997 0.063886 P\n0.999926 0.739064 0.686897 P\n0.499926 0.739064 0.813103 P\n0.500074 0.239064 0.686897 P\n0.499926 0.760936 0.313103 P\n0.236252 0.501997 0.063886 P\n0.263748 0.498003 0.563886 P\n0.000074 0.260936 0.313103 P\n0.736252 0.998003 0.936114 P\n0.236252 0.998003 0.563886 P\n0.000074 0.239064 0.813103 P\n0.763748 0.498003 0.936114 P\n0.999926 0.760936 0.186897 P\n0.763748 0.001997 0.436114 P\n0.500074 0.260936 0.186897 P\n0.253947 0.489302 0.793609 O\n0.430848 0.499963 0.628374 O\n0.267704 0.905085 0.002787 O\n0.330617 0.769123 0.374700 O\n0.504091 0.753870 0.542666 O\n0.930848 0.499963 0.871626 O\n0.004091 0.753870 0.957334 O\n0.495909 0.246130 0.457334 O\n0.330617 0.730877 0.874700 O\n0.276123 0.098356 0.999290 O\n0.488255 0.832964 0.748359 O\n0.504091 0.746130 0.042666 O\n0.488255 0.667036 0.248359 O\n0.169823 0.745170 0.628451 O\n0.988255 0.667036 0.251641 O\n0.509150 0.860014 0.251106 O\n0.746053 0.510698 0.206391 O\n0.988255 0.832964 0.751641 O\n0.767704 0.594915 0.997213 O\n0.330177 0.254830 0.128451 O\n0.232296 0.405085 0.002787 O\n0.232296 0.094915 0.502787 O\n0.223877 0.901644 0.499290 O\n0.590948 0.487668 0.880266 O\n0.509150 0.639986 0.751106 O\n0.746053 0.989302 0.706391 O\n0.569152 0.999963 0.871626 O\n0.009150 0.860014 0.248894 O\n0.669823 0.754830 0.371549 O\n0.569152 0.500037 0.371626 O\n0.590948 0.012332 0.380266 O\n0.490850 0.139986 0.748894 O\n0.169383 0.269123 0.374700 O\n0.004091 0.746130 0.457334 O\n0.990850 0.139986 0.751106 O\n0.767704 0.905085 0.497213 O\n0.909052 0.987668 0.880266 O\n0.776123 0.401644 0.000710 O\n0.732296 0.405085 0.497213 O\n0.330177 0.245170 0.628451 O\n0.069152 0.999963 0.628374 O\n0.732296 0.094915 0.997213 O\n0.246053 0.510698 0.293609 O\n0.169383 0.230877 0.874700 O\n0.069152 0.500037 0.128374 O\n0.830177 0.254830 0.371549 O\n0.995909 0.246130 0.042666 O\n0.430848 0.000037 0.128374 O\n0.830617 0.769123 0.125300 O\n0.009150 0.639986 0.748894 O\n0.409052 0.987668 0.619734 O\n0.753947 0.489302 0.706391 O\n0.246053 0.989302 0.793609 O\n0.267704 0.594915 0.502787 O\n0.669383 0.269123 0.125300 O\n0.011745 0.167036 0.248359 O\n0.511745 0.167036 0.251641 O\n0.990850 0.360014 0.251106 O\n0.830617 0.730877 0.625300 O\n0.995909 0.253870 0.542666 O\n0.669823 0.745170 0.871549 O\n0.753947 0.010698 0.206391 O\n0.409052 0.512332 0.119734 O\n0.495909 0.253870 0.957334 O\n0.511745 0.332964 0.751641 O\n0.669383 0.230877 0.625300 O\n0.090948 0.487668 0.619734 O\n0.011745 0.332964 0.748359 O\n0.223877 0.598356 0.999290 O\n0.930848 0.000037 0.371626 O\n0.723877 0.598356 0.500710 O\n0.830177 0.245170 0.871549 O\n0.723877 0.901644 0.000710 O\n0.909052 0.512332 0.380266 O\n0.276123 0.401644 0.499290 O\n0.090948 0.012332 0.119734 O\n0.169823 0.754830 0.128451 O\n0.490850 0.360014 0.248894 O\n0.776123 0.098356 0.500710 O\n0.253947 0.010698 0.293609 O\n",
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"formula_full": "V16 Cu8 P16 O80",
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{
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{
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}
]
}