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"results": [
{
"id": "mp-3857",
"created_at": "2022-09-04T14:43:12.020700Z",
"structure_string": "Ba3 P2 O8\n1.0\n7.310260 -2.844537 0.000000\n7.310260 2.844537 0.000000\n6.203406 0.000000 4.800943\nBa P O\n3 2 8\ndirect\n0.210123 0.210123 0.210123 Ba\n0.789877 0.789877 0.789877 Ba\n0.000000 0.000000 0.000000 Ba\n0.407373 0.407373 0.407373 P\n0.592627 0.592627 0.592627 P\n0.282653 0.282653 0.731468 O\n0.731468 0.282653 0.282653 O\n0.282653 0.731468 0.282653 O\n0.717347 0.268532 0.717347 O\n0.717347 0.717347 0.268532 O\n0.665132 0.665132 0.665132 O\n0.334868 0.334868 0.334868 O\n0.268532 0.717347 0.717347 O\n",
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{
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"structure_string": "K8 Rb4 Co4 O10\n1.0\n6.801982 0.000000 0.000000\n0.000000 6.801982 0.000000\n0.000000 0.000000 11.877341\nK Rb Co O\n8 4 4 10\ndirect\n0.500000 0.000000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.000000 0.779039 K\n0.500000 0.500000 0.279039 K\n0.500000 0.500000 0.720961 K\n0.000000 0.000000 0.220961 K\n0.000000 0.500000 0.250000 K\n0.000000 0.500000 0.750000 K\n0.313562 0.313562 0.000000 Rb\n0.186438 0.813562 0.500000 Rb\n0.813562 0.186438 0.500000 Rb\n0.686438 0.686438 0.000000 Rb\n0.204308 0.795692 0.000000 Co\n0.704308 0.704308 0.500000 Co\n0.295692 0.295692 0.500000 Co\n0.795692 0.204308 0.000000 Co\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.783417 0.783417 0.359805 O\n0.216583 0.216583 0.359805 O\n0.783417 0.783417 0.640195 O\n0.283417 0.716583 0.859805 O\n0.716583 0.283417 0.859805 O\n0.716583 0.283417 0.140195 O\n0.216583 0.216583 0.640195 O\n0.283417 0.716583 0.140195 O\n",
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"density_atomic": 0.0473132919171048,
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"formula_full": "K8 Rb4 Co4 O10",
"formula_reduced": "K4Rb2Co2O5",
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"updated_at": "2021-11-28T01:36:05.313000Z",
"spacegroup": 136
},
{
"id": "mp-760417",
"created_at": "2022-09-04T14:43:12.031129Z",
"structure_string": "Rb4 I2 O1\n1.0\n-2.827754 2.827754 9.286325\n2.827754 -2.827754 9.286325\n2.827754 2.827754 -9.286325\nRb I O\n4 2 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.146706 0.146706 0.000000 Rb\n0.853294 0.853294 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.354909 0.354909 0.000000 I\n0.645091 0.645091 0.000000 I\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.0235673590846798,
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"formula_full": "Rb4 I2 O1",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:36:10.820000Z",
"spacegroup": 139
},
{
"id": "mp-18271",
"created_at": "2022-09-04T14:43:12.034073Z",
"structure_string": "Na10 Ti4 Si4 P2 O26\n1.0\n5.460571 0.000000 0.000000\n-0.070736 7.158267 0.000000\n-1.679300 -2.572277 14.374309\nNa Ti Si P O\n10 4 4 2 26\ndirect\n0.755591 0.256265 0.580993 Na\n0.244409 0.743735 0.419007 Na\n0.326017 0.539655 0.604517 Na\n0.673983 0.460345 0.395483 Na\n0.321249 0.032673 0.637567 Na\n0.678751 0.967327 0.362433 Na\n0.754069 0.877345 0.001102 Na\n0.173221 0.420950 0.231602 Na\n0.826779 0.579050 0.768398 Na\n0.245931 0.122655 0.998898 Na\n0.778623 0.382224 0.989530 Ti\n0.221377 0.617776 0.010470 Ti\n0.828760 0.069513 0.779094 Ti\n0.171240 0.930487 0.220906 Ti\n0.353149 0.358179 0.803106 Si\n0.327547 0.794907 0.824474 Si\n0.646851 0.641821 0.196894 Si\n0.672453 0.205093 0.175526 Si\n0.178053 0.226952 0.429935 P\n0.821947 0.773048 0.570065 P\n0.669855 0.769654 0.474002 O\n0.330145 0.230346 0.525998 O\n0.748321 0.598582 0.611934 O\n0.251679 0.401418 0.388066 O\n0.100893 0.774427 0.560320 O\n0.899107 0.225573 0.439680 O\n0.917735 0.577648 0.932959 O\n0.082265 0.422352 0.067041 O\n0.765679 0.965030 0.636204 O\n0.234321 0.034970 0.363796 O\n0.861685 0.173420 0.908229 O\n0.138315 0.826580 0.091771 O\n0.586661 0.269117 0.750797 O\n0.413339 0.730883 0.249203 O\n0.097630 0.240987 0.757642 O\n0.902370 0.759013 0.242358 O\n0.412992 0.393700 0.917539 O\n0.587008 0.606300 0.082461 O\n0.555128 0.901526 0.791390 O\n0.444872 0.098474 0.208610 O\n0.678654 0.429988 0.230333 O\n0.321346 0.570012 0.769667 O\n0.641408 0.199939 0.063828 O\n0.358592 0.800061 0.936172 O\n0.939562 0.124203 0.207804 O\n0.060438 0.875797 0.792196 O\n",
"nsites": 46,
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"elements": [
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"Si",
"P",
"O"
],
"chemical_system": "Na-O-P-Si-Ti",
"density": 2.989799037290308,
"density_atomic": 0.08187002132766372,
"volume": 561.8662271492128,
"volume_molar": 7.355733713440637,
"formula_full": "Na10 Ti4 Si4 P2 O26",
"formula_reduced": "Na5Ti2Si2PO13",
"formula_anonymous": "AB2C2D5E13",
"energy": -341.60564718,
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"spacegroup": 2
},
{
"id": "mp-1211690",
"created_at": "2022-09-04T14:43:12.036983Z",
"structure_string": "K4 Er8 Cl28\n1.0\n12.624073 0.000000 0.000000\n0.000000 6.935612 0.000000\n0.000000 0.195018 13.315580\nK Er Cl\n4 8 28\ndirect\n0.201265 0.732853 0.038260 K\n0.798735 0.267147 0.961740 K\n0.701265 0.267147 0.461740 K\n0.298735 0.732853 0.538260 K\n0.536859 0.779105 0.237966 Er\n0.463141 0.220895 0.762034 Er\n0.036859 0.220895 0.262034 Er\n0.963141 0.779105 0.737966 Er\n0.839655 0.725631 0.249270 Er\n0.160345 0.274369 0.750730 Er\n0.339655 0.274369 0.250730 Er\n0.660345 0.725631 0.749270 Er\n0.972967 0.943676 0.134708 Cl\n0.027033 0.056324 0.865292 Cl\n0.472967 0.056324 0.365292 Cl\n0.527033 0.943676 0.634708 Cl\n0.685247 0.742894 0.391775 Cl\n0.314753 0.257106 0.608225 Cl\n0.185247 0.257106 0.108225 Cl\n0.814753 0.742894 0.891775 Cl\n0.677649 0.516494 0.173622 Cl\n0.322351 0.483506 0.826378 Cl\n0.177649 0.483506 0.326378 Cl\n0.822351 0.516494 0.673622 Cl\n0.926121 0.974078 0.378624 Cl\n0.073879 0.025922 0.621376 Cl\n0.426121 0.025922 0.121376 Cl\n0.573879 0.974078 0.878624 Cl\n0.941194 0.463447 0.131689 Cl\n0.058806 0.536553 0.868311 Cl\n0.441194 0.536553 0.368311 Cl\n0.558806 0.463447 0.631689 Cl\n0.702974 0.997212 0.176042 Cl\n0.297026 0.002788 0.823958 Cl\n0.202974 0.002788 0.323958 Cl\n0.797026 0.997212 0.676042 Cl\n0.913586 0.455388 0.377228 Cl\n0.086414 0.544612 0.622772 Cl\n0.413586 0.544612 0.122772 Cl\n0.586414 0.455388 0.877228 Cl\n",
"nsites": 40,
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"elements": [
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],
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"volume": 1165.8545574687748,
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"formula_full": "K4 Er8 Cl28",
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"spacegroup": 14
},
{
"id": "mp-1219840",
"created_at": "2022-09-04T14:45:12.442354Z",
"structure_string": "Pr2 Si3\n1.0\n-1.984199 2.126375 7.136417\n1.984199 -2.126375 7.136417\n1.984199 2.126375 -7.136417\nPr Si\n2 3\ndirect\n0.626399 0.626399 0.000000 Pr\n0.873354 0.373354 0.500000 Pr\n0.462834 0.962834 0.500000 Si\n0.202991 0.202991 0.000000 Si\n0.298422 0.798422 0.500000 Si\n",
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{
"id": "mp-1046563",
"created_at": "2022-09-04T14:43:12.020445Z",
"structure_string": "Te6 Mo10 O36\n1.0\n4.769243 7.471262 0.000000\n-4.769243 7.471262 0.000000\n0.000000 2.048108 11.311683\nTe Mo O\n6 10 36\ndirect\n0.968438 0.358512 0.948343 Te\n0.181127 0.800740 0.263509 Te\n0.199260 0.818873 0.736491 Te\n0.817772 0.527816 0.461065 Te\n0.472184 0.182228 0.538935 Te\n0.641488 0.031562 0.051657 Te\n0.513235 0.773605 0.973431 Mo\n0.163729 0.125236 0.478462 Mo\n0.362742 0.342586 0.282388 Mo\n0.722239 0.969088 0.775274 Mo\n0.657414 0.637258 0.717612 Mo\n0.047896 0.952104 0.000000 Mo\n0.352802 0.647198 0.500000 Mo\n0.030912 0.277761 0.224726 Mo\n0.874764 0.836271 0.521538 Mo\n0.226395 0.486765 0.026569 Mo\n0.168810 0.384184 0.894433 O\n0.429677 0.765276 0.808680 O\n0.592840 0.607767 0.554340 O\n0.110682 0.730172 0.438576 O\n0.234724 0.570323 0.191320 O\n0.269828 0.889318 0.561424 O\n0.825871 0.358960 0.286941 O\n0.055061 0.120190 0.878924 O\n0.291362 0.605485 0.686188 O\n0.418154 0.117053 0.399106 O\n0.590895 0.571770 0.035121 O\n0.987312 0.473033 0.088036 O\n0.947583 0.856143 0.677916 O\n0.724898 0.723677 0.847019 O\n0.428230 0.409105 0.964879 O\n0.564479 0.282753 0.220701 O\n0.800238 0.035512 0.450244 O\n0.276323 0.275102 0.152981 O\n0.392233 0.407160 0.445660 O\n0.964488 0.199762 0.549756 O\n0.812367 0.736373 0.390839 O\n0.652546 0.888673 0.634458 O\n0.879810 0.944939 0.121076 O\n0.717247 0.435521 0.779299 O\n0.823700 0.988143 0.915776 O\n0.131886 0.731058 0.935146 O\n0.526967 0.012688 0.911964 O\n0.641040 0.174129 0.713059 O\n0.143857 0.052417 0.322084 O\n0.111327 0.347454 0.365542 O\n0.263627 0.187633 0.609161 O\n0.268942 0.868114 0.064854 O\n0.394515 0.708638 0.313812 O\n0.882947 0.581846 0.600894 O\n0.011857 0.176300 0.084224 O\n0.615816 0.831190 0.105567 O\n",
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"volume": 806.1217497599511,
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"formula_full": "Te6 Mo10 O36",
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"spacegroup": 5
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{
"id": "mp-1044820",
"created_at": "2022-09-04T14:45:12.126614Z",
"structure_string": "Ca6 Sb12 O24\n1.0\n6.752655 0.000000 0.000000\n-2.821403 -6.143862 0.000000\n-0.770234 0.346793 -18.028093\nCa Sb O\n6 12 24\ndirect\n0.825631 0.188298 0.029271 Ca\n0.486707 0.470696 0.362692 Ca\n0.522174 0.472983 0.006513 Ca\n0.212072 0.798153 0.718815 Ca\n0.830831 0.180151 0.306152 Ca\n0.473243 0.547100 0.602829 Ca\n0.383730 0.222376 0.181824 Sb\n0.334660 0.714605 0.120294 Sb\n0.993404 0.511819 0.527650 Sb\n0.830416 0.660975 0.173651 Sb\n0.111569 0.830813 0.324982 Sb\n0.970225 0.001679 0.466305 Sb\n0.693406 0.795811 0.795252 Sb\n0.456794 0.933082 0.498746 Sb\n0.184522 0.345299 0.833454 Sb\n0.825546 0.171437 0.660830 Sb\n0.677848 0.289428 0.861304 Sb\n0.154498 0.777759 0.932005 Sb\n0.651791 0.323147 0.119906 O\n0.527078 0.545699 0.221804 O\n0.215040 0.411096 0.079337 O\n0.632681 0.803666 0.079168 O\n0.948950 0.537522 0.266386 O\n0.426392 0.638720 0.471237 O\n0.489378 0.158320 0.281094 O\n0.215176 0.840427 0.038995 O\n0.846474 0.741914 0.391878 O\n0.214239 0.749151 0.592282 O\n0.944434 0.934949 0.251527 O\n0.145501 0.178270 0.383061 O\n0.665933 0.932184 0.582675 O\n0.929028 0.949646 0.717761 O\n0.083036 0.299804 0.590358 O\n0.734615 0.096085 0.434473 O\n0.908394 0.172115 0.890081 O\n0.539491 0.996831 0.790122 O\n0.729852 0.417994 0.585991 O\n0.025226 0.496779 0.783689 O\n0.515460 0.147150 0.950155 O\n0.457031 0.608508 0.724765 O\n0.866391 0.527189 0.955610 O\n0.321134 0.580380 0.915071 O\n",
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},
{
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{
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{
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"structure_string": "Mg1 Si2 Ag8 O8\n1.0\n6.214159 0.000000 0.000000\n0.000000 6.548809 -0.237666\n0.000000 -0.345750 6.720061\nMg Si Ag O\n1 2 8 8\ndirect\n0.485090 0.250000 0.750000 Mg\n0.654771 0.250000 0.250000 Si\n0.331506 0.750000 0.750000 Si\n0.078302 0.095752 0.496785 Ag\n0.707134 0.678223 0.031973 Ag\n0.707134 0.821777 0.468027 Ag\n0.905317 0.459215 0.641656 Ag\n0.905317 0.040785 0.858344 Ag\n0.338789 0.545809 0.321309 Ag\n0.078302 0.404248 0.003215 Ag\n0.338789 0.954191 0.178691 Ag\n0.493250 0.549727 0.738496 O\n0.807553 0.457037 0.303294 O\n0.169338 0.758261 0.948748 O\n0.489634 0.301545 0.064019 O\n0.807553 0.042963 0.196706 O\n0.493250 0.950273 0.761504 O\n0.169338 0.741739 0.551252 O\n0.489634 0.198455 0.435981 O\n",
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"formula_full": "Mg1 Si2 Ag8 O8",
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{
"id": "mp-1093951",
"created_at": "2022-09-04T14:45:12.371661Z",
"structure_string": "Nb1 Ga1 Tc2\n1.0\n-4.775666 5.446440 7.669275\n4.775666 -5.446440 7.669275\n4.775666 5.446440 -7.669275\nNb Ga Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ga\n0.000000 0.265822 0.265822 Tc\n0.000000 0.734178 0.734178 Tc\n",
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}