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{
"count": 1013513,
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{
"id": "oqmd-1103105",
"created_at": "2022-09-04T15:34:59.080395Z",
"updated_at": "2022-09-04T15:34:59.080424Z",
"structure_string": "Tb16 Si16 O56\n1.0\n6.603954 0.000000 0.000000\n-0.000000 6.603954 0.000000\n0.000000 0.000000 24.071794\nO Si Tb\n56 16 16\ndirect\n0.459428 0.227303 0.036708 O\n0.054216 0.830203 0.046873 O\n0.724401 0.596873 0.056357 O\n0.113871 0.410247 0.070018 O\n0.448927 0.855965 0.093748 O\n0.804894 0.184153 0.095544 O\n0.459920 0.498825 0.136655 O\n0.167828 0.092937 0.143365 O\n0.774348 0.776056 0.155265 O\n0.998335 0.439720 0.168217 O\n0.419002 0.892927 0.212489 O\n0.778081 0.132686 0.225805 O\n0.425878 0.326713 0.235913 O\n0.074872 0.723638 0.238109 O\n0.772696 0.459428 0.286708 O\n0.169797 0.054216 0.296873 O\n0.403128 0.724401 0.306357 O\n0.589754 0.113871 0.320018 O\n0.144036 0.448927 0.343748 O\n0.815846 0.804894 0.345544 O\n0.501176 0.459920 0.386655 O\n0.907063 0.167828 0.393365 O\n0.223943 0.774348 0.405265 O\n0.560280 0.998335 0.418217 O\n0.107072 0.419002 0.462489 O\n0.867315 0.778081 0.475805 O\n0.673286 0.425878 0.485914 O\n0.276363 0.074872 0.488109 O\n0.540572 0.772696 0.536708 O\n0.945785 0.169797 0.546873 O\n0.275600 0.403128 0.556357 O\n0.886130 0.589754 0.570018 O\n0.551073 0.144036 0.593748 O\n0.195106 0.815846 0.595544 O\n0.540080 0.501176 0.636655 O\n0.832171 0.907063 0.643365 O\n0.225651 0.223943 0.655264 O\n0.001664 0.560280 0.668217 O\n0.580997 0.107072 0.712489 O\n0.221920 0.867315 0.725805 O\n0.574121 0.673286 0.735914 O\n0.925129 0.276363 0.738109 O\n0.227303 0.540572 0.786708 O\n0.830203 0.945785 0.796873 O\n0.596873 0.275600 0.806357 O\n0.410247 0.886130 0.820018 O\n0.855965 0.551073 0.843748 O\n0.184153 0.195106 0.845544 O\n0.498825 0.540080 0.886655 O\n0.092937 0.832171 0.893365 O\n0.776056 0.225651 0.905264 O\n0.439720 0.001664 0.918217 O\n0.892927 0.580997 0.962489 O\n0.132686 0.221920 0.975805 O\n0.326713 0.574121 0.985914 O\n0.723638 0.925129 0.988109 O\n0.860571 0.741158 0.013590 Si\n0.269092 0.367377 0.017325 Si\n0.606491 0.675541 0.114024 Si\n0.014921 0.266406 0.121163 Si\n0.258842 0.860571 0.263590 Si\n0.632623 0.269092 0.267325 Si\n0.324459 0.606491 0.364024 Si\n0.733595 0.014921 0.371163 Si\n0.139429 0.258842 0.513590 Si\n0.730909 0.632623 0.517325 Si\n0.393508 0.324459 0.614024 Si\n0.985080 0.733595 0.621163 Si\n0.741158 0.139429 0.763590 Si\n0.367377 0.730909 0.767325 Si\n0.675541 0.393508 0.864024 Si\n0.266406 0.985080 0.871163 Si\n0.785741 0.271721 0.001583 Tb\n0.347533 0.911466 0.002932 Tb\n0.139330 0.739254 0.138234 Tb\n0.516551 0.155392 0.147262 Tb\n0.728280 0.785741 0.251583 Tb\n0.088533 0.347533 0.252933 Tb\n0.260747 0.139330 0.388234 Tb\n0.844609 0.516551 0.397262 Tb\n0.214260 0.728280 0.501583 Tb\n0.652467 0.088533 0.502933 Tb\n0.860671 0.260747 0.638234 Tb\n0.483448 0.844609 0.647262 Tb\n0.271721 0.214260 0.751583 Tb\n0.911466 0.652467 0.752932 Tb\n0.739254 0.860671 0.888234 Tb\n0.155392 0.483448 0.897262 Tb\n",
"nsites": 88,
"nelements": 3,
"elements": [
"O",
"Si",
"Tb"
],
"chemical_system": "O-Si-Tb",
"density": 6.1499906345708935,
"density_atomic": 0.08382356646736625,
"volume": 1049.8240973111028,
"volume_molar": 7.184305099144772,
"formula_full": "Tb16 Si16 O56",
"formula_reduced": "Tb2Si2O7",
"formula_anonymous": "A2B2C7",
"formation_energy": -3.35160448970315,
"spacegroup": 76
},
{
"id": "oqmd-689765",
"created_at": "2022-09-04T15:32:00.640271Z",
"updated_at": "2022-09-04T15:32:00.640298Z",
"structure_string": "Sr16 As16 O56\n1.0\n7.083225 -0.000000 0.000000\n0.000000 7.083225 0.000000\n0.000000 0.000000 25.540965\nAs O Sr\n16 56 16\ndirect\n0.852020 0.747477 0.013428 As\n0.260734 0.355218 0.020866 As\n0.598251 0.690164 0.115162 As\n0.003295 0.279418 0.123459 As\n0.252523 0.852020 0.263428 As\n0.644783 0.260734 0.270866 As\n0.309836 0.598251 0.365162 As\n0.720581 0.003295 0.373459 As\n0.147979 0.252523 0.513428 As\n0.739266 0.644783 0.520866 As\n0.401749 0.309836 0.615162 As\n0.996704 0.720581 0.623459 As\n0.747477 0.147979 0.763428 As\n0.355218 0.739266 0.770866 As\n0.690164 0.401749 0.865162 As\n0.279418 0.996704 0.873459 As\n0.440302 0.217928 0.043703 O\n0.040055 0.832266 0.046020 O\n0.717910 0.599382 0.057548 O\n0.124150 0.431168 0.076425 O\n0.817155 0.184914 0.092142 O\n0.435739 0.850305 0.093278 O\n0.483482 0.507992 0.142500 O\n0.157900 0.123327 0.150605 O\n0.761492 0.809158 0.151055 O\n0.951421 0.452158 0.166993 O\n0.411109 0.890128 0.214695 O\n0.779183 0.116337 0.232580 O\n0.080785 0.707570 0.239440 O\n0.447799 0.331581 0.239675 O\n0.782072 0.440302 0.293703 O\n0.167734 0.040055 0.296020 O\n0.400618 0.717910 0.307548 O\n0.568831 0.124150 0.326425 O\n0.815085 0.817155 0.342142 O\n0.149695 0.435739 0.343278 O\n0.492008 0.483482 0.392500 O\n0.876674 0.157900 0.400605 O\n0.190842 0.761492 0.401055 O\n0.547841 0.951421 0.416992 O\n0.109872 0.411109 0.464695 O\n0.883662 0.779183 0.482580 O\n0.292430 0.080785 0.489440 O\n0.668419 0.447799 0.489675 O\n0.559697 0.782072 0.543703 O\n0.959944 0.167734 0.546020 O\n0.282089 0.400618 0.557548 O\n0.875850 0.568831 0.576425 O\n0.182846 0.815085 0.592142 O\n0.564261 0.149695 0.593278 O\n0.516519 0.492008 0.642501 O\n0.842099 0.876674 0.650605 O\n0.238507 0.190842 0.651055 O\n0.048580 0.547841 0.666993 O\n0.588891 0.109872 0.714695 O\n0.220817 0.883662 0.732580 O\n0.919215 0.292430 0.739440 O\n0.552200 0.668419 0.739675 O\n0.217928 0.559697 0.793703 O\n0.832266 0.959944 0.796020 O\n0.599382 0.282089 0.807548 O\n0.431168 0.875850 0.826425 O\n0.184914 0.182846 0.842142 O\n0.850305 0.564261 0.843278 O\n0.507992 0.516519 0.892501 O\n0.123327 0.842099 0.900605 O\n0.809158 0.238507 0.901055 O\n0.452158 0.048580 0.916993 O\n0.890128 0.588891 0.964695 O\n0.116337 0.220817 0.982580 O\n0.707570 0.919215 0.989440 O\n0.331581 0.552200 0.989675 O\n0.339760 0.899345 0.000000 Sr\n0.123129 0.757365 0.138571 Sr\n0.521607 0.154513 0.147232 Sr\n0.727448 0.757838 0.248913 Sr\n0.100656 0.339760 0.249993 Sr\n0.242634 0.123129 0.388571 Sr\n0.845488 0.521607 0.397232 Sr\n0.242161 0.727448 0.498913 Sr\n0.660240 0.100656 0.499993 Sr\n0.876872 0.242634 0.638571 Sr\n0.478394 0.845488 0.647232 Sr\n0.272552 0.242161 0.748913 Sr\n0.899345 0.660240 0.749993 Sr\n0.757365 0.876872 0.888571 Sr\n0.154513 0.478394 0.897232 Sr\n0.757838 0.272552 0.998913 Sr\n",
"nsites": 88,
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"elements": [
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"O",
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],
"chemical_system": "As-O-Sr",
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"density_atomic": 0.06867256913925124,
"volume": 1281.443247325689,
"volume_molar": 8.769354103803174,
"formula_full": "Sr16 As16 O56",
"formula_reduced": "Sr2As2O7",
"formula_anonymous": "A2B2C7",
"formation_energy": -2.34112743760466,
"spacegroup": 76
},
{
"id": "oqmd-688678",
"created_at": "2022-09-04T15:52:21.179437Z",
"updated_at": "2022-09-04T15:52:21.179467Z",
"structure_string": "H40 N8 O40\n1.0\n5.549738 0.000000 0.000000\n0.000000 7.312444 0.000000\n-0.942466 0.000000 16.202581\nH N O\n40 8 40\ndirect\n0.186870 0.142645 0.025761 H\n0.684331 0.359043 0.043076 H\n0.174227 0.349309 0.062408 H\n0.667614 0.152313 0.073798 H\n0.199372 0.176363 0.130663 H\n0.738876 0.311830 0.151192 H\n0.462025 0.070975 0.203990 H\n0.180800 0.734080 0.241585 H\n0.816234 0.451665 0.243507 H\n0.314742 0.234133 0.248123 H\n0.685258 0.734133 0.251877 H\n0.183766 0.951665 0.256493 H\n0.819200 0.234080 0.258415 H\n0.537975 0.570975 0.296010 H\n0.261124 0.811830 0.348808 H\n0.800628 0.676363 0.369337 H\n0.332386 0.652313 0.426202 H\n0.825773 0.849309 0.437592 H\n0.315669 0.859043 0.456924 H\n0.813130 0.642645 0.474239 H\n0.186870 0.357355 0.525761 H\n0.684331 0.140957 0.543076 H\n0.174227 0.150691 0.562408 H\n0.667614 0.347687 0.573798 H\n0.199372 0.323637 0.630663 H\n0.738876 0.188170 0.651192 H\n0.462025 0.429025 0.703990 H\n0.180800 0.765920 0.741585 H\n0.816234 0.048335 0.743507 H\n0.314742 0.265867 0.748123 H\n0.685258 0.765867 0.751877 H\n0.183766 0.548335 0.756493 H\n0.819200 0.265920 0.758415 H\n0.537975 0.929025 0.796010 H\n0.261124 0.688170 0.848808 H\n0.800628 0.823637 0.869337 H\n0.332386 0.847687 0.926202 H\n0.825773 0.650691 0.937592 H\n0.315669 0.640957 0.956924 H\n0.813130 0.857355 0.974239 H\n0.236306 0.651103 0.102364 N\n0.716392 0.837654 0.113942 N\n0.283608 0.337654 0.386058 N\n0.763694 0.151103 0.397636 N\n0.236306 0.848897 0.602364 N\n0.716392 0.662346 0.613942 N\n0.283608 0.162346 0.886058 N\n0.763694 0.348897 0.897636 N\n0.234522 0.544440 0.039352 O\n0.719205 0.947963 0.052308 O\n0.120957 0.216993 0.072612 O\n0.625599 0.282277 0.089318 O\n0.228261 0.819771 0.092184 O\n0.745190 0.671557 0.104359 O\n0.244835 0.578134 0.172906 O\n0.683747 0.906296 0.184787 O\n0.300656 0.125277 0.210249 O\n0.856568 0.331445 0.217528 O\n0.143432 0.831445 0.282472 O\n0.699344 0.625277 0.289751 O\n0.316253 0.406296 0.315213 O\n0.755165 0.078134 0.327094 O\n0.254810 0.171557 0.395641 O\n0.771739 0.319771 0.407816 O\n0.374401 0.782277 0.410682 O\n0.879043 0.716993 0.427388 O\n0.280795 0.447963 0.447692 O\n0.765478 0.044440 0.460648 O\n0.234522 0.955560 0.539352 O\n0.719205 0.552037 0.552308 O\n0.120957 0.283007 0.572612 O\n0.625599 0.217723 0.589318 O\n0.228261 0.680229 0.592184 O\n0.745190 0.828443 0.604359 O\n0.244835 0.921866 0.672906 O\n0.683747 0.593704 0.684787 O\n0.300656 0.374723 0.710249 O\n0.856568 0.168555 0.717528 O\n0.143432 0.668555 0.782472 O\n0.699344 0.874723 0.789751 O\n0.316253 0.093704 0.815213 O\n0.755165 0.421866 0.827094 O\n0.254810 0.328443 0.895641 O\n0.771739 0.180229 0.907816 O\n0.374401 0.717723 0.910682 O\n0.879043 0.783007 0.927388 O\n0.280795 0.052037 0.947692 O\n0.765478 0.455560 0.960648 O\n",
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"formula_full": "H40 N8 O40",
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{
"id": "oqmd-677259",
"created_at": "2022-09-04T15:52:21.112286Z",
"updated_at": "2022-09-04T15:52:21.112311Z",
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"formula_full": "P8 H48 S8 N24",
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{
"id": "oqmd-687197",
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