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{
"id": "mp-22749",
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"structure_string": "Mn10 C4\n1.0\n2.237235 5.812146 0.000000\n-2.237235 5.812146 0.000000\n0.000000 0.645248 4.955602\nMn C\n10 4\ndirect\n0.626098 0.806733 0.693460 Mn\n0.193267 0.373902 0.806540 Mn\n0.373902 0.193267 0.306540 Mn\n0.806733 0.626098 0.193460 Mn\n0.430608 0.569392 0.750000 Mn\n0.569392 0.430608 0.250000 Mn\n0.189139 0.011772 0.080774 Mn\n0.988228 0.810861 0.419226 Mn\n0.810861 0.988228 0.919226 Mn\n0.011772 0.189139 0.580774 Mn\n0.430164 0.796316 0.421384 C\n0.203684 0.569836 0.078616 C\n0.569836 0.203684 0.578616 C\n0.796316 0.430164 0.921384 C\n",
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{
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"structure_string": "Cr1 Ni2\n1.0\n-1.237226 1.776773 3.710434\n1.237226 -1.776773 3.710434\n1.237226 1.776773 -3.710434\nCr Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.665781 0.665781 0.000000 Ni\n0.334219 0.334219 0.000000 Ni\n",
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{
"id": "mp-1197827",
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"structure_string": "Sr12 Bi24 S48\n1.0\n12.644571 -21.901039 0.000000\n12.644571 21.901039 0.000000\n0.000000 0.000000 4.094331\nSr Bi S\n12 24 48\ndirect\n0.234542 0.679246 0.250000 Sr\n0.444704 0.765458 0.250000 Sr\n0.320754 0.555296 0.250000 Sr\n0.765458 0.320754 0.750000 Sr\n0.555296 0.234542 0.750000 Sr\n0.679246 0.444704 0.750000 Sr\n0.120811 0.768341 0.250000 Sr\n0.647529 0.879189 0.250000 Sr\n0.231659 0.352471 0.250000 Sr\n0.879189 0.231659 0.750000 Sr\n0.352471 0.120811 0.750000 Sr\n0.768341 0.647529 0.750000 Sr\n0.668544 0.727732 0.250000 Bi\n0.059188 0.331456 0.250000 Bi\n0.272268 0.940812 0.250000 Bi\n0.331456 0.272268 0.750000 Bi\n0.940812 0.668544 0.750000 Bi\n0.727732 0.059188 0.750000 Bi\n0.497360 0.350680 0.250000 Bi\n0.853320 0.502640 0.250000 Bi\n0.649320 0.146680 0.250000 Bi\n0.502640 0.649320 0.750000 Bi\n0.146680 0.497360 0.750000 Bi\n0.350680 0.853320 0.750000 Bi\n0.592892 0.540547 0.250000 Bi\n0.947655 0.407108 0.250000 Bi\n0.459453 0.052345 0.250000 Bi\n0.407108 0.459453 0.750000 Bi\n0.052345 0.592892 0.750000 Bi\n0.540547 0.947655 0.750000 Bi\n0.176809 0.154232 0.250000 Bi\n0.977424 0.823191 0.250000 Bi\n0.845768 0.022576 0.250000 Bi\n0.823191 0.845768 0.750000 Bi\n0.022576 0.176809 0.750000 Bi\n0.154232 0.977424 0.750000 Bi\n0.269510 0.819250 0.250000 S\n0.549740 0.730490 0.250000 S\n0.180750 0.450260 0.250000 S\n0.730490 0.180750 0.750000 S\n0.450260 0.269510 0.750000 S\n0.819250 0.549740 0.750000 S\n0.697814 0.545867 0.250000 S\n0.848053 0.302186 0.250000 S\n0.454133 0.151947 0.250000 S\n0.302186 0.454133 0.750000 S\n0.151947 0.697814 0.750000 S\n0.545867 0.848053 0.750000 S\n0.452982 0.906203 0.250000 S\n0.453221 0.547018 0.250000 S\n0.093797 0.546779 0.250000 S\n0.547018 0.093797 0.750000 S\n0.546779 0.452982 0.750000 S\n0.906203 0.453221 0.750000 S\n0.779733 0.743613 0.250000 S\n0.963879 0.220267 0.250000 S\n0.256387 0.036121 0.250000 S\n0.220267 0.256387 0.750000 S\n0.036121 0.779733 0.750000 S\n0.743613 0.963879 0.750000 S\n0.366898 0.366847 0.250000 S\n0.999949 0.633102 0.250000 S\n0.633153 0.000051 0.250000 S\n0.633102 0.633153 0.750000 S\n0.000051 0.366898 0.750000 S\n0.366847 0.999949 0.750000 S\n0.595425 0.344753 0.250000 S\n0.749328 0.404575 0.250000 S\n0.655247 0.250672 0.250000 S\n0.404575 0.655247 0.750000 S\n0.250672 0.595425 0.750000 S\n0.344753 0.749328 0.750000 S\n0.881275 0.692628 0.250000 S\n0.811354 0.118725 0.250000 S\n0.307372 0.188646 0.250000 S\n0.118725 0.307372 0.750000 S\n0.188646 0.881275 0.750000 S\n0.692628 0.811354 0.750000 S\n0.074393 0.939071 0.250000 S\n0.864678 0.925607 0.250000 S\n0.060929 0.135322 0.250000 S\n0.925607 0.060929 0.750000 S\n0.135322 0.074393 0.750000 S\n0.939071 0.864678 0.750000 S\n",
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"elements": [
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"volume": 2267.6799656433022,
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"formula_full": "Sr12 Bi24 S48",
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{
"id": "mp-1310548",
"created_at": "2022-09-04T14:48:04.433679Z",
"structure_string": "Ca8 Co4 Ir4 O24\n1.0\n5.381055 0.000108 -0.011677\n0.009328 11.150496 -0.014432\n-0.002032 -0.010786 7.657251\nCa Co Ir O\n8 4 4 24\ndirect\n0.014517 0.469993 0.247487 Ca\n0.015874 0.971561 0.247090 Ca\n0.484190 0.221901 0.250147 Ca\n0.484936 0.718252 0.251347 Ca\n0.514307 0.279662 0.747864 Ca\n0.514737 0.779012 0.751131 Ca\n0.986162 0.031449 0.751523 Ca\n0.985038 0.527941 0.751747 Ca\n0.000404 0.750164 0.000267 Co\n0.500543 0.499545 0.499292 Co\n0.999649 0.250226 0.999448 Co\n0.499813 0.000171 0.500368 Co\n0.998174 0.252432 0.499341 Ir\n0.001200 0.747825 0.500270 Ir\n0.502462 0.002638 0.000364 Ir\n0.498688 0.497205 0.999380 Ir\n0.096162 0.237100 0.751206 O\n0.097545 0.732354 0.744869 O\n0.403864 0.483819 0.748237 O\n0.404775 0.987224 0.754363 O\n0.596664 0.016427 0.246896 O\n0.595629 0.512260 0.250995 O\n0.902571 0.266285 0.247746 O\n0.902037 0.763914 0.256132 O\n0.198655 0.103699 0.047726 O\n0.205472 0.596360 0.047599 O\n0.299692 0.352517 0.452888 O\n0.294374 0.845692 0.451778 O\n0.706330 0.154569 0.546926 O\n0.698978 0.646930 0.548890 O\n0.800197 0.396670 0.952373 O\n0.797788 0.904249 0.951658 O\n0.189801 0.106213 0.448703 O\n0.199380 0.599091 0.448509 O\n0.299369 0.350066 0.048553 O\n0.311437 0.856385 0.050672 O\n0.700051 0.151218 0.949915 O\n0.689455 0.642923 0.951573 O\n0.799189 0.401095 0.550075 O\n0.809894 0.892961 0.554650 O\n",
"nsites": 40,
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"elements": [
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],
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"formula_full": "Ca8 Co4 Ir4 O24",
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"spacegroup": 7
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{
"id": "mp-1037511",
"created_at": "2022-09-04T14:48:04.441787Z",
"structure_string": "Mg30 Co1 Cu1 O32\n1.0\n8.507373 0.000000 0.000000\n0.000000 8.507373 0.000000\n0.000000 0.000000 8.502400\nMg Co Cu O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.247008 0.248752 Mg\n0.000000 0.247008 0.751248 Mg\n0.000000 0.752992 0.248752 Mg\n0.000000 0.752992 0.751248 Mg\n0.500000 0.249177 0.250308 Mg\n0.500000 0.249177 0.749692 Mg\n0.500000 0.750823 0.250308 Mg\n0.500000 0.750823 0.749692 Mg\n0.247008 0.000000 0.248752 Mg\n0.247008 0.000000 0.751248 Mg\n0.249177 0.500000 0.250308 Mg\n0.249177 0.500000 0.749692 Mg\n0.752992 0.000000 0.248752 Mg\n0.752992 0.000000 0.751248 Mg\n0.750823 0.500000 0.250308 Mg\n0.750823 0.500000 0.749692 Mg\n0.248773 0.248773 0.000000 Mg\n0.248001 0.248001 0.500000 Mg\n0.248773 0.751227 0.000000 Mg\n0.248001 0.751999 0.500000 Mg\n0.751227 0.248773 0.000000 Mg\n0.751999 0.248001 0.500000 Mg\n0.751227 0.751227 0.000000 Mg\n0.751999 0.751999 0.500000 Mg\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n0.258442 0.000000 0.000000 O\n0.239994 0.000000 0.500000 O\n0.250587 0.500000 0.000000 O\n0.247618 0.500000 0.500000 O\n0.741558 0.000000 0.000000 O\n0.760006 0.000000 0.500000 O\n0.749413 0.500000 0.000000 O\n0.752382 0.500000 0.500000 O\n0.249394 0.249394 0.250788 O\n0.249394 0.249394 0.749212 O\n0.249394 0.750606 0.250788 O\n0.249394 0.750606 0.749212 O\n0.750606 0.249394 0.250788 O\n0.750606 0.249394 0.749212 O\n0.750606 0.750606 0.250788 O\n0.750606 0.750606 0.749212 O\n0.000000 0.000000 0.241913 O\n0.000000 0.000000 0.758087 O\n0.000000 0.500000 0.254539 O\n0.000000 0.500000 0.745461 O\n0.500000 0.000000 0.254539 O\n0.500000 0.000000 0.745461 O\n0.500000 0.500000 0.251698 O\n0.500000 0.500000 0.748302 O\n0.000000 0.258442 0.000000 O\n0.000000 0.239994 0.500000 O\n0.000000 0.741558 0.000000 O\n0.000000 0.760006 0.500000 O\n0.500000 0.250587 0.000000 O\n0.500000 0.247618 0.500000 O\n0.500000 0.749413 0.000000 O\n0.500000 0.752382 0.500000 O\n",
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{
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"structure_string": "Na6 Si2 Bi2 C2 O14\n1.0\n7.192015 0.000000 0.000000\n0.000000 5.242784 0.000000\n0.000000 0.116182 9.473771\nNa Si Bi C O\n6 2 2 2 14\ndirect\n0.250000 0.768717 0.912855 Na\n0.011766 0.246057 0.746788 Na\n0.488234 0.246057 0.746788 Na\n0.511766 0.753943 0.253212 Na\n0.988234 0.753943 0.253212 Na\n0.750000 0.231283 0.087145 Na\n0.250000 0.708515 0.595252 Si\n0.750000 0.291485 0.404748 Si\n0.750000 0.771014 0.633128 Bi\n0.250000 0.228986 0.366872 Bi\n0.750000 0.730503 0.947578 C\n0.250000 0.269497 0.052422 C\n0.250000 0.278710 0.915931 O\n0.750000 0.951985 0.881986 O\n0.750000 0.519783 0.875388 O\n0.067779 0.805158 0.685109 O\n0.432221 0.805158 0.685109 O\n0.250000 0.392618 0.589874 O\n0.750000 0.189614 0.573114 O\n0.250000 0.810386 0.426886 O\n0.750000 0.607382 0.410126 O\n0.567779 0.194842 0.314891 O\n0.932221 0.194842 0.314891 O\n0.250000 0.480217 0.124612 O\n0.250000 0.048015 0.118014 O\n0.750000 0.721290 0.084069 O\n",
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{
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"structure_string": "Na1 Sr2 Fe6 As6\n1.0\n2.757951 8.130838 0.000000\n-2.757951 8.130838 0.000000\n0.000000 2.323298 6.089206\nNa Sr Fe As\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.662985 0.662985 0.674693 Sr\n0.337015 0.337015 0.325307 Sr\n0.083324 0.583227 0.831764 Fe\n0.416773 0.916676 0.168236 Fe\n0.750296 0.249704 0.500000 Fe\n0.249704 0.750296 0.500000 Fe\n0.583227 0.083324 0.831764 Fe\n0.916676 0.416773 0.168236 Fe\n0.880236 0.880236 0.525646 As\n0.214779 0.214779 0.861318 As\n0.549086 0.549086 0.189643 As\n0.450914 0.450914 0.810357 As\n0.785221 0.785221 0.138682 As\n0.119764 0.119764 0.474354 As\n",
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{
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