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{
"id": "mp-850485",
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{
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"structure_string": "Na1 Sr1 Ce1 W1 O6\n1.0\n0.000000 -4.229536 -4.229536\n4.229536 -0.000000 -4.229536\n4.229536 -4.229536 0.000000\nNa Sr Ce W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 W\n0.732955 0.267045 0.267045 O\n0.267045 0.732955 0.732955 O\n0.732955 0.267045 0.732955 O\n0.267045 0.732955 0.267045 O\n0.732955 0.732955 0.267045 O\n0.267045 0.267045 0.732955 O\n",
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"formula_full": "Na1 Sr1 Ce1 W1 O6",
"formula_reduced": "NaSrCeWO6",
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"updated_at": "2021-11-28T01:36:19.168000Z",
"spacegroup": 216
},
{
"id": "mp-571203",
"created_at": "2022-09-04T14:43:22.593736Z",
"structure_string": "Sr1 Co2 As2\n1.0\n-1.990938 1.990938 5.845957\n1.990938 -1.990938 5.845957\n1.990938 1.990938 -5.845957\nSr Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.354788 0.354788 0.000000 As\n0.645212 0.645212 0.000000 As\n",
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"spacegroup": 139
},
{
"id": "mp-1094079",
"created_at": "2022-09-04T14:43:22.605743Z",
"structure_string": "P8 Au8 S8\n1.0\n5.658262 0.000000 0.000000\n0.000000 5.698717 0.000000\n0.000000 0.000000 16.638463\nP Au S\n8 8 8\ndirect\n0.100947 0.074356 0.170575 P\n0.600947 0.425644 0.829425 P\n0.899053 0.574356 0.329425 P\n0.399053 0.925644 0.670575 P\n0.899053 0.925644 0.829425 P\n0.399053 0.574356 0.170575 P\n0.100947 0.425644 0.670575 P\n0.600947 0.074356 0.329425 P\n0.992800 0.181424 0.371397 Au\n0.992800 0.318576 0.871397 Au\n0.507200 0.681424 0.371397 Au\n0.007200 0.818576 0.628603 Au\n0.492800 0.318576 0.628603 Au\n0.507200 0.818576 0.871397 Au\n0.007200 0.681424 0.128603 Au\n0.492800 0.181424 0.128603 Au\n0.597709 0.719472 0.587806 S\n0.902291 0.280528 0.087806 S\n0.402291 0.219472 0.912194 S\n0.097709 0.780528 0.412194 S\n0.097709 0.719472 0.912194 S\n0.597709 0.780528 0.087806 S\n0.902291 0.219472 0.587806 S\n0.402291 0.280528 0.412194 S\n",
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"elements": [
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"density_atomic": 0.04473401643509082,
"volume": 536.5044749519433,
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"formula_full": "P8 Au8 S8",
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},
{
"id": "mp-18197",
"created_at": "2022-09-04T14:43:22.527242Z",
"structure_string": "Na8 Be4 Ge4 O16\n1.0\n5.086703 0.000000 0.000000\n0.000000 7.283749 0.000000\n0.000000 0.077527 10.252655\nNa Be Ge O\n8 4 4 16\ndirect\n0.207216 0.999063 0.891539 Na\n0.707216 0.000937 0.608461 Na\n0.792784 0.000937 0.108461 Na\n0.292784 0.999063 0.391539 Na\n0.318665 0.261804 0.138926 Na\n0.818665 0.738196 0.361074 Na\n0.681335 0.738196 0.861074 Na\n0.181335 0.261804 0.638926 Na\n0.656483 0.500479 0.587101 Be\n0.343517 0.499521 0.412899 Be\n0.843517 0.500479 0.087101 Be\n0.156483 0.499521 0.912899 Be\n0.155459 0.720296 0.659422 Ge\n0.655459 0.279704 0.840578 Ge\n0.844541 0.279704 0.340578 Ge\n0.344541 0.720296 0.159422 Ge\n0.167859 0.546580 0.073655 O\n0.667859 0.453420 0.426345 O\n0.832141 0.453420 0.926345 O\n0.332141 0.546580 0.573655 O\n0.314187 0.313519 0.874600 O\n0.185813 0.313519 0.374600 O\n0.814187 0.686481 0.625400 O\n0.685813 0.686481 0.125400 O\n0.283337 0.684567 0.329412 O\n0.783337 0.315433 0.170588 O\n0.716663 0.315433 0.670588 O\n0.216663 0.684567 0.829412 O\n0.237761 0.948015 0.621888 O\n0.737761 0.051985 0.878112 O\n0.762239 0.051985 0.378112 O\n0.262239 0.948015 0.121888 O\n",
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"elements": [
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"density": 3.350760231752102,
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"volume": 379.86361432910354,
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"formula_full": "Na8 Be4 Ge4 O16",
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"energy": -199.28736338,
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"spacegroup": 14
},
{
"id": "mp-560869",
"created_at": "2022-09-04T14:43:22.529567Z",
"structure_string": "K12 V4 O16\n1.0\n8.461729 0.000000 0.000000\n0.000000 8.461729 0.000000\n0.000000 0.000000 8.461729\nK V O\n12 4 16\ndirect\n0.466868 0.533132 0.033132 K\n0.509349 0.990651 0.009349 K\n0.490651 0.490651 0.490651 K\n0.966868 0.966868 0.966868 K\n0.533132 0.033132 0.466868 K\n0.033132 0.466868 0.533132 K\n0.224584 0.775416 0.275416 K\n0.275416 0.224584 0.775416 K\n0.009349 0.509349 0.990651 K\n0.990651 0.009349 0.509349 K\n0.775416 0.275416 0.224584 K\n0.724584 0.724584 0.724584 K\n0.737364 0.762636 0.237364 V\n0.762636 0.237364 0.737364 V\n0.262636 0.262636 0.262636 V\n0.237364 0.737364 0.762636 V\n0.537638 0.740100 0.288474 O\n0.355378 0.855378 0.644622 O\n0.855378 0.644622 0.355378 O\n0.740100 0.288474 0.537638 O\n0.037638 0.759900 0.711526 O\n0.240100 0.211526 0.462362 O\n0.211526 0.462362 0.240100 O\n0.962362 0.259900 0.788474 O\n0.288474 0.537638 0.740100 O\n0.462362 0.240100 0.211526 O\n0.788474 0.962362 0.259900 O\n0.644622 0.355378 0.855378 O\n0.759900 0.711526 0.037638 O\n0.711526 0.037638 0.759900 O\n0.144622 0.144622 0.144622 O\n0.259900 0.788474 0.962362 O\n",
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],
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"density": 2.545995047563569,
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"volume": 605.8670537663813,
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"formula_full": "K12 V4 O16",
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"spacegroup": 198
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{
"id": "mp-685956",
"created_at": "2022-09-04T14:43:22.535013Z",
"structure_string": "In4 As3 Se1\n1.0\n-3.153061 3.153061 6.304191\n3.153061 -3.153061 6.304191\n3.153061 3.153061 -6.304191\nIn As Se\n4 3 1\ndirect\n0.627870 0.116227 0.000000 In\n0.116227 0.627870 0.000000 In\n0.372130 0.372130 0.488357 In\n0.883773 0.883773 0.511643 In\n0.000000 0.000000 0.000000 As\n0.250000 0.750000 0.500000 As\n0.750000 0.250000 0.500000 As\n0.500000 0.500000 0.000000 Se\n",
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{
"id": "mp-680377",
"created_at": "2022-09-04T14:43:22.541315Z",
"structure_string": "Rb48 Sn32 Ge4 O16\n1.0\n23.968394 0.000000 0.000000\n0.000000 13.243354 0.000000\n0.000000 6.534574 11.795505\nRb Sn Ge O\n48 32 4 16\ndirect\n0.931747 0.407338 0.168947 Rb\n0.794413 0.661648 0.622513 Rb\n0.027269 0.286772 0.496285 Rb\n0.105399 0.056711 0.906954 Rb\n0.381733 0.880100 0.120881 Rb\n0.205587 0.338352 0.377487 Rb\n0.839643 0.227277 0.095830 Rb\n0.755224 0.841253 0.270968 Rb\n0.161645 0.986904 0.189781 Rb\n0.744776 0.341253 0.270968 Rb\n0.005913 0.045872 0.279889 Rb\n0.160357 0.772723 0.904170 Rb\n0.294413 0.838352 0.377487 Rb\n0.255224 0.658747 0.729032 Rb\n0.690336 0.134083 0.143125 Rb\n0.122322 0.601077 0.474655 Rb\n0.618267 0.119900 0.879119 Rb\n0.472731 0.786772 0.496285 Rb\n0.725260 0.789191 0.839156 Rb\n0.894601 0.943289 0.093046 Rb\n0.225260 0.710809 0.160844 Rb\n0.190336 0.365917 0.856875 Rb\n0.527269 0.213228 0.503715 Rb\n0.568253 0.907338 0.168947 Rb\n0.244776 0.158747 0.729032 Rb\n0.705587 0.161648 0.622513 Rb\n0.339643 0.272723 0.904170 Rb\n0.309664 0.865917 0.856875 Rb\n0.068253 0.592662 0.831053 Rb\n0.394601 0.556711 0.906954 Rb\n0.505913 0.454128 0.720111 Rb\n0.494087 0.545872 0.279889 Rb\n0.774740 0.289191 0.839156 Rb\n0.431747 0.092662 0.831053 Rb\n0.274740 0.210809 0.160844 Rb\n0.972731 0.713228 0.503715 Rb\n0.605399 0.443289 0.093046 Rb\n0.809664 0.634083 0.143125 Rb\n0.877678 0.398923 0.525345 Rb\n0.660357 0.727277 0.095830 Rb\n0.838355 0.013096 0.810219 Rb\n0.338355 0.486904 0.189781 Rb\n0.118267 0.380100 0.120881 Rb\n0.994087 0.954128 0.720111 Rb\n0.622322 0.898923 0.525345 Rb\n0.881733 0.619900 0.879119 Rb\n0.661645 0.513096 0.810219 Rb\n0.377678 0.101077 0.474655 Rb\n0.231978 0.987180 0.524567 Sn\n0.046831 0.801003 0.185647 Sn\n0.132145 0.099558 0.380656 Sn\n0.496474 0.779221 0.967465 Sn\n0.731978 0.512820 0.475433 Sn\n0.544479 0.127160 0.273062 Sn\n0.268022 0.487180 0.524567 Sn\n0.044479 0.372840 0.726938 Sn\n0.867855 0.900442 0.619344 Sn\n0.374740 0.351601 0.549222 Sn\n0.768022 0.012820 0.475433 Sn\n0.632198 0.464958 0.378687 Sn\n0.546831 0.698997 0.814353 Sn\n0.125260 0.851601 0.549222 Sn\n0.568586 0.938013 0.770705 Sn\n0.953169 0.198997 0.814353 Sn\n0.996474 0.720779 0.032535 Sn\n0.625260 0.648399 0.450778 Sn\n0.874740 0.148399 0.450778 Sn\n0.632145 0.400442 0.619344 Sn\n0.931414 0.438013 0.770705 Sn\n0.431414 0.061987 0.229295 Sn\n0.367802 0.535042 0.621313 Sn\n0.503526 0.220779 0.032535 Sn\n0.867802 0.964958 0.378687 Sn\n0.068586 0.561987 0.229295 Sn\n0.453169 0.301003 0.185647 Sn\n0.455521 0.872840 0.726938 Sn\n0.003526 0.279221 0.967465 Sn\n0.955521 0.627160 0.273062 Sn\n0.367855 0.599558 0.380656 Sn\n0.132198 0.035042 0.621313 Sn\n0.257654 0.009330 0.004432 Ge\n0.757654 0.490670 0.995568 Ge\n0.742346 0.990670 0.995568 Ge\n0.242346 0.509330 0.004432 Ge\n0.223252 0.141642 0.976073 O\n0.732817 0.080983 0.844979 O\n0.323630 0.041467 0.929451 O\n0.715185 0.566931 0.048036 O\n0.676370 0.958533 0.070549 O\n0.232817 0.419017 0.155021 O\n0.276748 0.641642 0.976073 O\n0.284815 0.433069 0.951964 O\n0.823630 0.458533 0.070549 O\n0.784815 0.066931 0.048036 O\n0.267183 0.919017 0.155021 O\n0.767183 0.580983 0.844979 O\n0.215185 0.933069 0.951964 O\n0.776748 0.858358 0.023927 O\n0.176370 0.541467 0.929451 O\n0.723252 0.358358 0.023927 O\n",
"nsites": 100,
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"elements": [
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"chemical_system": "Ge-O-Rb-Sn",
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"volume": 3744.151921771159,
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"formula_full": "Rb48 Sn32 Ge4 O16",
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"energy": -358.15298062,
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},
{
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