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{
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{
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{
"id": "mp-17112",
"created_at": "2022-09-04T14:41:13.656417Z",
"structure_string": "K6 Ge8 Au2\n1.0\n6.195277 0.000000 0.000000\n0.000000 6.711846 0.000000\n0.000000 0.000000 12.175782\nK Ge Au\n6 8 2\ndirect\n0.421652 0.500000 0.500000 K\n0.578348 0.000000 0.000000 K\n0.168806 0.000000 0.237207 K\n0.168806 0.000000 0.762793 K\n0.831194 0.500000 0.262793 K\n0.831194 0.500000 0.737207 K\n0.942277 0.207363 0.500000 Ge\n0.672741 0.000000 0.614452 Ge\n0.327259 0.500000 0.114452 Ge\n0.327259 0.500000 0.885548 Ge\n0.057723 0.707363 0.000000 Ge\n0.057723 0.292637 0.000000 Ge\n0.672741 0.000000 0.385548 Ge\n0.942277 0.792637 0.500000 Ge\n0.690820 0.500000 0.000000 Au\n0.309180 0.000000 0.500000 Au\n",
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{
"id": "mp-18471",
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"structure_string": "Sr8 U4 O20\n1.0\n5.725601 0.000000 0.000000\n0.000000 8.165644 0.000000\n0.000000 3.815542 11.404602\nSr U O\n8 4 20\ndirect\n0.933939 0.155905 0.681047 Sr\n0.433939 0.844095 0.818953 Sr\n0.066061 0.844095 0.318953 Sr\n0.566061 0.155905 0.181047 Sr\n0.500246 0.340554 0.861213 Sr\n0.000246 0.659446 0.638787 Sr\n0.499754 0.659446 0.138787 Sr\n0.999754 0.340554 0.361213 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.652265 0.250819 0.501164 O\n0.152265 0.749181 0.998836 O\n0.347735 0.749181 0.498836 O\n0.847735 0.250819 0.001164 O\n0.756470 0.018781 0.377955 O\n0.256470 0.981219 0.122045 O\n0.243530 0.981219 0.622045 O\n0.743530 0.018781 0.877955 O\n0.797780 0.604873 0.424952 O\n0.297780 0.395127 0.075048 O\n0.202220 0.395127 0.575048 O\n0.702220 0.604873 0.924952 O\n0.669719 0.446110 0.664239 O\n0.169719 0.553890 0.835761 O\n0.330281 0.553890 0.335761 O\n0.830281 0.446110 0.164239 O\n0.711176 0.891693 0.640584 O\n0.211176 0.108307 0.859416 O\n0.288824 0.108307 0.359416 O\n0.788824 0.891693 0.140584 O\n",
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"volume": 533.20186006922,
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"formula_full": "Sr8 U4 O20",
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"spacegroup": 14
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{
"id": "mp-1224152",
"created_at": "2022-09-04T14:41:13.565482Z",
"structure_string": "Ho1 V2 Fe10\n1.0\n0.000000 0.000000 4.692990\n-4.250046 4.221330 2.346495\n-4.250046 -4.221330 -2.346495\nHo V Fe\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.358569 0.358569 V\n0.000000 0.641431 0.641431 V\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.725402 0.774598 0.225402 Fe\n0.274598 0.225402 0.774598 Fe\n0.500000 0.773119 0.773119 Fe\n0.500000 0.226881 0.226881 Fe\n0.640569 0.359431 0.640569 Fe\n0.359431 0.640569 0.359431 Fe\n",
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"formula_full": "Ho1 V2 Fe10",
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{
"id": "mp-1199836",
"created_at": "2022-09-04T14:41:13.575318Z",
"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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{
"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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"formula_full": "Li4 Fe8 B8 O24",
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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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"elements": [
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"density": 2.6909459910140283,
"density_atomic": 0.06486446741148265,
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"formula_full": "In2 P6 O24",
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},
{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.438604 2.613476 0.000000\n-1.438604 2.613476 0.000000\n0.000000 0.639913 29.677714\nLi Mn Co O\n7 2 3 12\ndirect\n0.665260 0.665260 0.581435 Li\n0.334740 0.334740 0.418565 Li\n0.997420 0.997420 0.247685 Li\n0.657414 0.657414 0.081075 Li\n0.342586 0.342586 0.918925 Li\n0.002580 0.002580 0.752315 Li\n0.000000 0.000000 0.000000 Li\n0.333883 0.333883 0.666468 Mn\n0.666117 0.666117 0.333532 Mn\n0.000000 0.000000 0.500000 Co\n0.329354 0.329354 0.166780 Co\n0.670646 0.670646 0.833220 Co\n0.976562 0.976562 0.628669 O\n0.671045 0.671045 0.461051 O\n0.310298 0.310298 0.295623 O\n0.006364 0.006364 0.130453 O\n0.663802 0.663802 0.957709 O\n0.333630 0.333630 0.793581 O\n0.328955 0.328955 0.538949 O\n0.023438 0.023438 0.371331 O\n0.666370 0.666370 0.206419 O\n0.336198 0.336198 0.042291 O\n0.993636 0.993636 0.869547 O\n0.689702 0.689702 0.704377 O\n",
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],
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"density": 3.9232860576021995,
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"volume": 223.1619875435077,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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}
]
}