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{
"id": "mp-1041181",
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"structure_string": "Mg2 Sn6 P6 O26\n1.0\n6.821338 0.000000 0.000000\n0.000000 7.866943 0.000000\n0.000000 1.384168 10.398245\nMg Sn P O\n2 6 6 26\ndirect\n0.750000 0.435539 0.225264 Mg\n0.250000 0.564461 0.774736 Mg\n0.250000 0.683948 0.256657 Sn\n0.750000 0.316052 0.743343 Sn\n0.250000 0.196999 0.392634 Sn\n0.500000 0.000000 0.000000 Sn\n0.750000 0.803001 0.607366 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.695465 0.523013 P\n0.750000 0.304535 0.476987 P\n0.250000 0.210185 0.730428 P\n0.750000 0.789815 0.269572 P\n0.750000 0.648991 0.927340 P\n0.250000 0.351009 0.072660 P\n0.750000 0.553775 0.802232 O\n0.574732 0.310648 0.382671 O\n0.250000 0.126676 0.607842 O\n0.562614 0.763727 0.912577 O\n0.750000 0.460452 0.557991 O\n0.750000 0.124424 0.893626 O\n0.250000 0.539548 0.442009 O\n0.062614 0.236273 0.087423 O\n0.250000 0.848703 0.410579 O\n0.750000 0.151297 0.589421 O\n0.071356 0.333402 0.741052 O\n0.250000 0.875576 0.106374 O\n0.571356 0.666598 0.258948 O\n0.750000 0.516440 0.045029 O\n0.750000 0.873324 0.392158 O\n0.437386 0.236273 0.087423 O\n0.925268 0.310648 0.382671 O\n0.425268 0.689352 0.617329 O\n0.428644 0.333402 0.741052 O\n0.250000 0.446225 0.197768 O\n0.750000 0.931824 0.147309 O\n0.250000 0.068176 0.852691 O\n0.928644 0.666598 0.258948 O\n0.937386 0.763727 0.912577 O\n0.074732 0.689352 0.617329 O\n0.250000 0.483560 0.954971 O\n",
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},
{
"id": "mp-1041178",
"created_at": "2022-09-04T14:46:55.990003Z",
"structure_string": "Mg4 Cu8 Sn8 O32\n1.0\n6.234858 0.000000 0.005728\n0.000000 8.726272 0.000000\n0.124232 0.000000 12.188446\nMg Cu Sn O\n4 8 8 32\ndirect\n0.101463 0.150981 0.031562 Mg\n0.898537 0.849019 0.968438 Mg\n0.898537 0.650981 0.468438 Mg\n0.101463 0.349019 0.531562 Mg\n0.754211 0.189182 0.837175 Cu\n0.372297 0.072206 0.608107 Cu\n0.627703 0.927794 0.391893 Cu\n0.245789 0.810818 0.162825 Cu\n0.754211 0.310818 0.337175 Cu\n0.372297 0.427794 0.108107 Cu\n0.245789 0.689182 0.662825 Cu\n0.627703 0.572206 0.891893 Cu\n0.094591 0.452424 0.840475 Sn\n0.094591 0.047576 0.340475 Sn\n0.567842 0.069575 0.147652 Sn\n0.905409 0.952424 0.659525 Sn\n0.432158 0.930425 0.852348 Sn\n0.432158 0.569575 0.352348 Sn\n0.567842 0.430425 0.647652 Sn\n0.905409 0.547576 0.159525 Sn\n0.032859 0.264806 0.376387 O\n0.650760 0.015549 0.575423 O\n0.196394 0.554572 0.459836 O\n0.803606 0.054572 0.040164 O\n0.032859 0.235194 0.876387 O\n0.967141 0.735194 0.623613 O\n0.084171 0.128130 0.605461 O\n0.525483 0.848034 0.192602 O\n0.525483 0.651966 0.692602 O\n0.280031 0.897092 0.700081 O\n0.719969 0.397092 0.799919 O\n0.474517 0.151966 0.807398 O\n0.915829 0.871870 0.394539 O\n0.799562 0.525667 0.318321 O\n0.417319 0.270961 0.557923 O\n0.417319 0.229039 0.057923 O\n0.200438 0.025667 0.181679 O\n0.474517 0.348034 0.307398 O\n0.200438 0.474333 0.681679 O\n0.803606 0.445428 0.540164 O\n0.650760 0.484451 0.075423 O\n0.719969 0.102908 0.299919 O\n0.967141 0.764806 0.123613 O\n0.084171 0.371870 0.105461 O\n0.196394 0.945428 0.959836 O\n0.582681 0.770961 0.942077 O\n0.349240 0.984451 0.424577 O\n0.349240 0.515549 0.924577 O\n0.915829 0.628130 0.894539 O\n0.582681 0.729039 0.442077 O\n0.280031 0.602908 0.200081 O\n0.799562 0.974333 0.818321 O\n",
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{
"id": "mp-1041176",
"created_at": "2022-09-04T14:39:35.441659Z",
"structure_string": "Zn2 Cu6 P6 O26\n1.0\n6.125229 0.000000 0.000000\n0.000000 7.590595 0.000000\n0.000000 1.873173 9.901037\nZn Cu P O\n2 6 6 26\ndirect\n0.750000 0.359872 0.175546 Zn\n0.250000 0.640128 0.824454 Zn\n0.250000 0.649920 0.202493 Cu\n0.750000 0.350080 0.797507 Cu\n0.250000 0.235728 0.431883 Cu\n0.500000 0.000000 0.000000 Cu\n0.750000 0.764272 0.568117 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.790474 0.488656 P\n0.750000 0.209526 0.511344 P\n0.250000 0.262696 0.759564 P\n0.750000 0.737304 0.240436 P\n0.750000 0.679092 0.885623 P\n0.250000 0.320908 0.114377 P\n0.750000 0.620485 0.744161 O\n0.561143 0.249684 0.404591 O\n0.250000 0.202275 0.625589 O\n0.534724 0.784126 0.893746 O\n0.750000 0.353128 0.601228 O\n0.750000 0.118125 0.906250 O\n0.250000 0.646872 0.398772 O\n0.034724 0.215874 0.106254 O\n0.250000 0.975755 0.400632 O\n0.750000 0.024245 0.599368 O\n0.061795 0.388262 0.788787 O\n0.250000 0.881875 0.093750 O\n0.561795 0.611738 0.211213 O\n0.750000 0.491866 0.977092 O\n0.750000 0.797725 0.374411 O\n0.465276 0.215874 0.106254 O\n0.938857 0.249684 0.404591 O\n0.438857 0.750316 0.595409 O\n0.438205 0.388262 0.788787 O\n0.250000 0.379515 0.255839 O\n0.750000 0.910493 0.127833 O\n0.250000 0.089507 0.872167 O\n0.938205 0.611738 0.211213 O\n0.965276 0.784126 0.893746 O\n0.061143 0.750316 0.595409 O\n0.250000 0.508134 0.022908 O\n",
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"elements": [
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],
"chemical_system": "Cu-O-P-Zn",
"density": 4.018136115343681,
"density_atomic": 0.08689227295669041,
"volume": 460.3401273659528,
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"formula_full": "Zn2 Cu6 P6 O26",
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"updated_at": "2021-11-28T01:34:37.021000Z",
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},
{
"id": "mp-1041175",
"created_at": "2022-09-04T14:39:16.884338Z",
"structure_string": "Zn2 Ag6 P6 O26\n1.0\n6.445711 0.000000 0.000000\n0.000000 7.887188 0.000000\n0.000000 1.320296 10.692262\nZn Ag P O\n2 6 6 26\ndirect\n0.750000 0.395504 0.144123 Zn\n0.250000 0.604496 0.855877 Zn\n0.250000 0.671453 0.219676 Ag\n0.750000 0.328547 0.780324 Ag\n0.250000 0.255176 0.433957 Ag\n0.500000 0.000000 0.000000 Ag\n0.750000 0.744824 0.566043 Ag\n0.000000 0.000000 0.000000 Ag\n0.250000 0.775183 0.501207 P\n0.750000 0.224817 0.498793 P\n0.250000 0.260870 0.756993 P\n0.750000 0.739130 0.243007 P\n0.750000 0.668722 0.881795 P\n0.250000 0.331278 0.118205 P\n0.750000 0.611571 0.746916 O\n0.567950 0.249649 0.402572 O\n0.250000 0.192829 0.630151 O\n0.540751 0.765721 0.892101 O\n0.750000 0.377571 0.578589 O\n0.750000 0.110165 0.908361 O\n0.250000 0.622429 0.421411 O\n0.040751 0.234279 0.107899 O\n0.250000 0.940226 0.413154 O\n0.750000 0.059774 0.586846 O\n0.071555 0.387882 0.781797 O\n0.250000 0.889835 0.091639 O\n0.571555 0.612118 0.218203 O\n0.750000 0.499371 0.969439 O\n0.750000 0.807171 0.369849 O\n0.459249 0.234279 0.107899 O\n0.932050 0.249649 0.402572 O\n0.432050 0.750351 0.597428 O\n0.428445 0.387882 0.781797 O\n0.250000 0.388429 0.253084 O\n0.750000 0.897390 0.143542 O\n0.250000 0.102610 0.856458 O\n0.928445 0.612118 0.218203 O\n0.959249 0.765721 0.892101 O\n0.067950 0.750351 0.597428 O\n0.250000 0.500629 0.030561 O\n",
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"elements": [
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],
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"formula_full": "Zn2 Ag6 P6 O26",
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{
"id": "mp-1041173",
"created_at": "2022-09-04T14:47:44.877999Z",
"structure_string": "Be12 Si12 Ag8 O48\n1.0\n7.786354 0.000000 0.000000\n0.000000 8.283050 0.000000\n0.000000 8.194560 14.518080\nBe Si Ag O\n12 12 8 48\ndirect\n0.839236 0.808562 0.763671 Be\n0.661979 0.160622 0.404126 Be\n0.161979 0.839378 0.095874 Be\n0.338021 0.839378 0.595874 Be\n0.838021 0.160622 0.904126 Be\n0.163316 0.478302 0.417573 Be\n0.663316 0.521698 0.082427 Be\n0.836684 0.521698 0.582427 Be\n0.336684 0.478302 0.917573 Be\n0.660764 0.808562 0.263671 Be\n0.160764 0.191438 0.236329 Be\n0.339236 0.191438 0.736329 Be\n0.221629 0.812514 0.767627 Si\n0.721629 0.187486 0.732373 Si\n0.778371 0.187486 0.232373 Si\n0.278371 0.812514 0.267627 Si\n0.726962 0.466269 0.922248 Si\n0.226962 0.533731 0.577752 Si\n0.273038 0.533731 0.077752 Si\n0.773038 0.466269 0.422248 Si\n0.226568 0.155796 0.905441 Si\n0.726568 0.844204 0.594559 Si\n0.773432 0.844204 0.094559 Si\n0.273432 0.155796 0.405441 Si\n0.464912 0.159809 0.089118 Ag\n0.035088 0.159809 0.589118 Ag\n0.535088 0.840191 0.910882 Ag\n0.964912 0.840191 0.410882 Ag\n0.554437 0.810917 0.432247 Ag\n0.054437 0.189083 0.067753 Ag\n0.445563 0.189083 0.567753 Ag\n0.945563 0.810917 0.932247 Ag\n0.146287 0.711215 0.048942 O\n0.028198 0.773753 0.812810 O\n0.528198 0.226247 0.687190 O\n0.971802 0.226247 0.187190 O\n0.471802 0.773753 0.312810 O\n0.529191 0.388077 0.951029 O\n0.029191 0.611923 0.548971 O\n0.470809 0.611923 0.048971 O\n0.970809 0.388077 0.451029 O\n0.031131 0.090547 0.893142 O\n0.531131 0.909453 0.606858 O\n0.968869 0.909453 0.106858 O\n0.141952 0.097954 0.347377 O\n0.641952 0.902046 0.152623 O\n0.858048 0.902046 0.652623 O\n0.358048 0.097954 0.847377 O\n0.646287 0.288785 0.451058 O\n0.468869 0.090547 0.393142 O\n0.353713 0.711215 0.548942 O\n0.853713 0.288785 0.951058 O\n0.764321 0.957968 0.479731 O\n0.641605 0.295377 0.146855 O\n0.858395 0.295377 0.646855 O\n0.358395 0.704623 0.853145 O\n0.741099 0.249366 0.809632 O\n0.241099 0.750634 0.690368 O\n0.258901 0.750634 0.190368 O\n0.758901 0.249366 0.309632 O\n0.737256 0.620221 0.814645 O\n0.237256 0.379779 0.685355 O\n0.262744 0.379779 0.185355 O\n0.762744 0.620221 0.314645 O\n0.238706 0.373459 0.873652 O\n0.738706 0.626541 0.626348 O\n0.761294 0.626541 0.126348 O\n0.261294 0.373459 0.373652 O\n0.744555 0.957721 0.789387 O\n0.244555 0.042279 0.710613 O\n0.255445 0.042279 0.210613 O\n0.755445 0.957721 0.289387 O\n0.776528 0.566015 0.985968 O\n0.276528 0.433985 0.514032 O\n0.223472 0.433985 0.014032 O\n0.723472 0.566015 0.485968 O\n0.735679 0.957968 0.979731 O\n0.235679 0.042032 0.520269 O\n0.264321 0.042032 0.020269 O\n0.141605 0.704623 0.353145 O\n",
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"volume": 936.3400779974045,
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"formula_full": "Be12 Si12 Ag8 O48",
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{
"id": "mp-1041171",
"created_at": "2022-09-04T14:48:28.491020Z",
"structure_string": "Ca6 Fe12 O24\n1.0\n3.141677 -5.441544 0.000000\n3.141677 5.441544 0.000000\n0.000000 0.000000 15.450603\nCa Fe O\n6 12 24\ndirect\n0.333333 0.666667 0.043327 Ca\n0.666667 0.333333 0.379061 Ca\n0.666667 0.333333 0.002132 Ca\n0.000000 0.000000 0.711818 Ca\n0.333333 0.666667 0.285908 Ca\n0.666667 0.333333 0.627158 Ca\n0.830579 0.661159 0.169321 Fe\n0.830579 0.169421 0.169321 Fe\n0.165903 0.331807 0.499583 Fe\n0.338841 0.169421 0.169321 Fe\n0.000000 0.000000 0.333373 Fe\n0.165903 0.834097 0.499583 Fe\n0.494824 0.989648 0.830034 Fe\n0.668193 0.834097 0.499583 Fe\n0.010352 0.505176 0.830034 Fe\n0.333333 0.666667 0.661527 Fe\n0.494824 0.505176 0.830034 Fe\n0.000000 0.000000 0.952584 Fe\n0.514877 0.485123 0.102681 O\n0.666667 0.333333 0.237857 O\n0.970246 0.485123 0.102681 O\n0.514877 0.029754 0.102681 O\n0.139160 0.278320 0.245363 O\n0.857402 0.142598 0.424614 O\n0.721680 0.860840 0.245363 O\n0.000000 0.000000 0.079611 O\n0.285196 0.142598 0.424614 O\n0.000000 0.000000 0.568274 O\n0.139160 0.860840 0.245363 O\n0.857402 0.714804 0.424614 O\n0.477237 0.954475 0.577021 O\n0.192582 0.807418 0.753197 O\n0.045525 0.522763 0.577021 O\n0.333333 0.666667 0.432318 O\n0.333333 0.666667 0.897546 O\n0.614836 0.807418 0.753197 O\n0.477237 0.522763 0.577021 O\n0.192582 0.385164 0.753197 O\n0.833018 0.666036 0.903147 O\n0.666667 0.333333 0.772630 O\n0.333964 0.166982 0.903147 O\n0.833018 0.166982 0.903147 O\n",
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{
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