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{
"id": "mp-1224152",
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{
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"structure_string": "Na4 Ga8 P8 O36\n1.0\n9.122811 0.000000 0.000000\n0.000000 9.067200 0.000000\n0.000000 5.101081 8.523310\nNa Ga P O\n4 8 8 36\ndirect\n0.620546 0.707314 0.021059 Na\n0.879454 0.707314 0.521059 Na\n0.379454 0.292686 0.978941 Na\n0.120546 0.292686 0.478941 Na\n0.913307 0.972586 0.879318 Ga\n0.586693 0.972586 0.379318 Ga\n0.086693 0.027414 0.120682 Ga\n0.413307 0.027414 0.620682 Ga\n0.732862 0.337733 0.430137 Ga\n0.767138 0.337733 0.930137 Ga\n0.267138 0.662267 0.569863 Ga\n0.232862 0.662267 0.069863 Ga\n0.887456 0.168909 0.269261 P\n0.612544 0.168909 0.769261 P\n0.112544 0.831091 0.730739 P\n0.387456 0.831091 0.230739 P\n0.452679 0.337204 0.266720 P\n0.047321 0.337204 0.766720 P\n0.547321 0.662796 0.733280 P\n0.952679 0.662796 0.233280 P\n0.110070 0.908171 0.989353 O\n0.389930 0.908171 0.489353 O\n0.889930 0.091829 0.010647 O\n0.610070 0.091829 0.510647 O\n0.864129 0.747694 0.077593 O\n0.635871 0.747694 0.577593 O\n0.135871 0.252306 0.922407 O\n0.364129 0.252306 0.422407 O\n0.990738 0.203339 0.726138 O\n0.509262 0.203339 0.226138 O\n0.009262 0.796661 0.273862 O\n0.490738 0.796661 0.773862 O\n0.708842 0.005887 0.828131 O\n0.791158 0.005887 0.328131 O\n0.291158 0.994113 0.171869 O\n0.208842 0.994113 0.671869 O\n0.954571 0.873689 0.751610 O\n0.545429 0.873689 0.251610 O\n0.045429 0.126311 0.248390 O\n0.454571 0.126311 0.748390 O\n0.890275 0.227022 0.392761 O\n0.609725 0.227022 0.892761 O\n0.109725 0.772978 0.607239 O\n0.390275 0.772978 0.107239 O\n0.853750 0.538888 0.372469 O\n0.646250 0.538888 0.872469 O\n0.146250 0.461112 0.627531 O\n0.353750 0.461112 0.127531 O\n0.677970 0.322138 0.616466 O\n0.822030 0.322138 0.116466 O\n0.322030 0.677862 0.383534 O\n0.177970 0.677862 0.883534 O\n0.585549 0.441671 0.276213 O\n0.914451 0.441671 0.776213 O\n0.414451 0.558329 0.723787 O\n0.085549 0.558329 0.223787 O\n",
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"formula_full": "Na4 Ga8 P8 O36",
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"spacegroup": 14
},
{
"id": "mp-1178079",
"created_at": "2022-09-04T14:41:13.582401Z",
"structure_string": "Li12 Mn1 Cr3 P4 C4 O28\n1.0\n6.499491 0.000000 0.000000\n0.000000 8.681720 0.000000\n0.000000 0.805525 9.967540\nLi Mn Cr P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.897740 0.611032 Li\n0.000000 0.897358 0.117958 Li\n0.223941 0.728418 0.869960 Li\n0.776059 0.728418 0.869960 Li\n0.226414 0.728635 0.372634 Li\n0.773586 0.728635 0.372634 Li\n0.724542 0.272873 0.628137 Li\n0.275458 0.272873 0.628137 Li\n0.722509 0.270241 0.128470 Li\n0.277491 0.270241 0.128470 Li\n0.500000 0.107389 0.885492 Li\n0.500000 0.109174 0.386680 Li\n0.000000 0.340816 0.389465 Mn\n0.500000 0.665304 0.603411 Cr\n0.500000 0.664919 0.103378 Cr\n0.000000 0.333205 0.896547 Cr\n0.000000 0.588009 0.640011 P\n0.000000 0.587855 0.138039 P\n0.500000 0.411308 0.862032 P\n0.500000 0.410442 0.363248 P\n0.500000 0.966755 0.647693 C\n0.500000 0.966270 0.147770 C\n0.000000 0.032177 0.851093 C\n0.000000 0.034698 0.349664 C\n0.500000 0.944448 0.522252 O\n0.000000 0.893437 0.809900 O\n0.500000 0.944193 0.022471 O\n0.500000 0.846110 0.736095 O\n0.000000 0.891551 0.317710 O\n0.500000 0.845546 0.236175 O\n0.186268 0.686517 0.582734 O\n0.813732 0.686517 0.582734 O\n0.186266 0.686745 0.083406 O\n0.813734 0.686745 0.083406 O\n0.500000 0.577112 0.908593 O\n0.000000 0.581677 0.795614 O\n0.500000 0.577078 0.408478 O\n0.000000 0.576250 0.294548 O\n0.500000 0.419039 0.706733 O\n0.000000 0.421736 0.595386 O\n0.500000 0.418094 0.207520 O\n0.000000 0.421816 0.092503 O\n0.313715 0.312723 0.918656 O\n0.686285 0.312723 0.918656 O\n0.685305 0.312110 0.419964 O\n0.314695 0.312110 0.419964 O\n0.000000 0.152523 0.762467 O\n0.500000 0.105363 0.688872 O\n0.000000 0.147316 0.254669 O\n0.000000 0.054803 0.976158 O\n0.500000 0.104864 0.189190 O\n0.000000 0.067100 0.473228 O\n",
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"density_atomic": 0.09245496419495776,
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"formula_full": "Li12 Mn1 Cr3 P4 C4 O28",
"formula_reduced": "Li12MnCr3P4(CO7)4",
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{
"id": "mp-976321",
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"structure_string": "Li3 Pr1\n1.0\n0.000000 3.678618 3.678618\n3.678618 0.000000 3.678618\n3.678618 3.678618 0.000000\nLi Pr\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n",
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{
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"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.271784 0.000000 0.000000\n0.075786 9.124396 0.000000\n0.170181 0.068890 10.118298\nLi Fe B O\n4 8 8 24\ndirect\n0.185338 0.164136 0.143150 Li\n0.318819 0.329409 0.413952 Li\n0.658481 0.678959 0.666194 Li\n0.689063 0.667335 0.163297 Li\n0.152037 0.850464 0.629972 Fe\n0.185078 0.496790 0.125235 Fe\n0.330010 0.998417 0.874881 Fe\n0.320475 0.669839 0.380910 Fe\n0.661006 0.333654 0.636551 Fe\n0.687813 0.994597 0.123153 Fe\n0.827021 0.153736 0.381687 Fe\n0.834169 0.492079 0.879847 Fe\n0.168945 0.505753 0.622333 B\n0.172434 0.831692 0.130560 B\n0.335807 0.001436 0.372316 B\n0.324402 0.664629 0.874665 B\n0.656953 0.997356 0.627562 B\n0.674685 0.331865 0.133017 B\n0.825217 0.491277 0.375441 B\n0.831942 0.164392 0.883184 B\n0.087415 0.500717 0.349899 O\n0.087472 0.149396 0.891942 O\n0.218748 0.798580 0.842059 O\n0.233022 0.871965 0.418262 O\n0.188676 0.127708 0.361384 O\n0.171414 0.552746 0.923494 O\n0.296676 0.377413 0.607433 O\n0.300885 0.957082 0.087989 O\n0.288619 0.638451 0.581764 O\n0.316093 0.709401 0.177356 O\n0.416654 0.327254 0.143098 O\n0.410629 0.008985 0.679167 O\n0.588585 0.006489 0.333406 O\n0.580455 0.639244 0.857136 O\n0.724300 0.297028 0.841021 O\n0.721550 0.357821 0.414894 O\n0.670071 0.610866 0.357534 O\n0.671076 0.051929 0.921717 O\n0.796417 0.460189 0.085633 O\n0.783045 0.867134 0.627270 O\n0.767462 0.124437 0.573764 O\n0.823381 0.211426 0.172481 O\n0.915961 0.823173 0.130499 O\n0.917647 0.513640 0.671762 O\n",
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{
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"structure_string": "In2 P6 O24\n1.0\n4.404953 -7.629603 0.000000\n4.404953 7.629603 0.000000\n0.000000 0.000000 7.339558\nIn P O\n2 6 24\ndirect\n0.333333 0.666667 0.003889 In\n0.666667 0.333333 0.503889 In\n0.370331 0.050326 0.164843 P\n0.949674 0.320005 0.164843 P\n0.629669 0.949674 0.664843 P\n0.679995 0.629669 0.164843 P\n0.050326 0.679995 0.664843 P\n0.320005 0.370331 0.664843 P\n0.441203 0.167981 0.332431 O\n0.832019 0.273222 0.332431 O\n0.558797 0.832019 0.832431 O\n0.726778 0.558797 0.332431 O\n0.167981 0.726778 0.832431 O\n0.273222 0.441203 0.832431 O\n0.273612 0.439802 0.491451 O\n0.560198 0.833810 0.491451 O\n0.726388 0.560198 0.991451 O\n0.166190 0.726388 0.491451 O\n0.439802 0.166190 0.991451 O\n0.833810 0.273612 0.991451 O\n0.026714 0.196562 0.138781 O\n0.803438 0.830152 0.138781 O\n0.973286 0.803438 0.638781 O\n0.169848 0.973286 0.138781 O\n0.196562 0.169848 0.638781 O\n0.830152 0.026714 0.638781 O\n0.100689 0.510712 0.165698 O\n0.489288 0.589977 0.165698 O\n0.899311 0.489288 0.665698 O\n0.410023 0.899311 0.165698 O\n0.510712 0.410023 0.665698 O\n0.589977 0.100689 0.665698 O\n",
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{
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{
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"structure_string": "Ge12 Pb3 O27\n1.0\n5.779435 -10.010275 0.000000\n5.779435 10.010275 0.000000\n0.000000 0.000000 4.828706\nGe Pb O\n12 3 27\ndirect\n0.149177 0.490586 0.398377 Ge\n0.509414 0.658590 0.398377 Ge\n0.341410 0.850823 0.398377 Ge\n0.658590 0.509414 0.601623 Ge\n0.850823 0.341410 0.601623 Ge\n0.490586 0.149177 0.601623 Ge\n0.180299 0.000000 0.500000 Ge\n0.000000 0.180299 0.500000 Ge\n0.819701 0.819701 0.500000 Ge\n0.333333 0.666667 0.888383 Ge\n0.666667 0.333333 0.111617 Ge\n0.000000 0.000000 0.000000 Ge\n0.673888 0.000000 0.000000 Pb\n0.000000 0.673888 0.000000 Pb\n0.326112 0.326112 0.000000 Pb\n0.093752 0.154359 0.762288 O\n0.845641 0.939393 0.762288 O\n0.060607 0.906248 0.762288 O\n0.939393 0.845641 0.237712 O\n0.906248 0.060607 0.237712 O\n0.154359 0.093752 0.237712 O\n0.108604 0.324882 0.292999 O\n0.675118 0.783722 0.292999 O\n0.216278 0.891396 0.292999 O\n0.783722 0.675118 0.707001 O\n0.891396 0.216278 0.707001 O\n0.324882 0.108604 0.707001 O\n0.262157 0.511260 0.665922 O\n0.488740 0.750898 0.665922 O\n0.249102 0.737843 0.665922 O\n0.750898 0.488740 0.334078 O\n0.737843 0.249102 0.334078 O\n0.511260 0.262157 0.334078 O\n0.179525 0.600642 0.117827 O\n0.399358 0.578883 0.117827 O\n0.421117 0.820475 0.117827 O\n0.578883 0.399358 0.882173 O\n0.820475 0.421117 0.882173 O\n0.600642 0.179525 0.882173 O\n0.488239 0.000000 0.500000 O\n0.000000 0.488239 0.500000 O\n0.511761 0.511761 0.500000 O\n",
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