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{
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{
"id": "mp-1234442",
"created_at": "2022-09-04T14:45:05.134912Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.274250 0.324738 0.225128\n4.326952 -7.559707 -0.007923\n4.331806 -2.536452 -7.133952\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.747383 0.747548 0.752532 Mg\n0.087232 0.636765 0.640366 V\n0.402624 0.871014 0.866483 V\n0.974437 0.345501 0.340318 V\n0.533110 0.151594 0.159869 Co\n0.939193 0.021276 0.018448 Sn\n0.550459 0.485153 0.480512 Sn\n0.253476 0.251396 0.537005 P\n0.253202 0.960683 0.248882 P\n0.256977 0.534016 0.958702 P\n0.754679 0.454868 0.047958 P\n0.750586 0.046289 0.745253 P\n0.753328 0.744947 0.456496 P\n0.086555 0.126694 0.293831 O\n0.083270 0.504365 0.120192 O\n0.082475 0.300142 0.496482 O\n0.259564 0.065172 0.704141 O\n0.409612 0.245436 0.368526 O\n0.228485 0.403340 0.597028 O\n0.259247 0.977301 0.060067 O\n0.219875 0.777083 0.397564 O\n0.597745 0.629373 0.010636 O\n0.228292 0.600345 0.771184 O\n0.735574 0.278851 0.066903 O\n0.593515 0.005203 0.767127 O\n0.413444 0.970169 0.245310 O\n0.279572 0.693633 0.968071 O\n0.778682 0.421675 0.229010 O\n0.406620 0.358458 0.977303 O\n0.771995 0.228146 0.573994 O\n0.732817 0.064607 0.920628 O\n0.774836 0.574193 0.422947 O\n0.595468 0.767887 0.629247 O\n0.737765 0.920807 0.280398 O\n0.909027 0.706498 0.508268 O\n0.909972 0.502923 0.877505 O\n0.906050 0.876656 0.710814 O\n",
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{
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"structure_string": "Nb1 Fe3 P6 O24\n1.0\n7.828050 -4.388653 0.000000\n7.828050 4.388653 0.000000\n5.367633 0.000000 7.192160\nNb Fe P O\n1 3 6 24\ndirect\n0.859602 0.859602 0.859602 Nb\n0.142762 0.142762 0.142762 Fe\n0.357986 0.357986 0.357986 Fe\n0.643222 0.643222 0.643222 Fe\n0.749923 0.035506 0.462545 P\n0.035506 0.462545 0.749923 P\n0.462545 0.749923 0.035506 P\n0.528198 0.257751 0.965949 P\n0.965949 0.528198 0.257751 P\n0.257751 0.965949 0.528198 P\n0.275985 0.136390 0.508453 O\n0.508453 0.275985 0.136390 O\n0.919408 0.064679 0.286112 O\n0.136390 0.508453 0.275985 O\n0.577347 0.209909 0.444542 O\n0.784335 0.997608 0.634360 O\n0.064679 0.286112 0.919408 O\n0.209909 0.444542 0.577347 O\n0.444542 0.577347 0.209909 O\n0.359714 0.229325 0.993786 O\n0.705602 0.083224 0.932381 O\n0.993786 0.359714 0.229325 O\n0.997608 0.634360 0.784335 O\n0.286112 0.919408 0.064679 O\n0.634360 0.784335 0.997608 O\n0.554946 0.427751 0.791312 O\n0.791312 0.554946 0.427751 O\n0.932381 0.705602 0.083224 O\n0.229325 0.993786 0.359714 O\n0.427751 0.791312 0.554946 O\n0.864871 0.489233 0.725282 O\n0.083224 0.932381 0.705602 O\n0.489233 0.725282 0.864871 O\n0.725282 0.864871 0.489233 O\n",
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"elements": [
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"density": 2.789934699956512,
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"formula_full": "Nb1 Fe3 P6 O24",
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"energy": -265.60937622,
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"spacegroup": 146
},
{
"id": "mp-865123",
"created_at": "2022-09-04T14:45:05.152679Z",
"structure_string": "Mg1 Ga1 Pd2\n1.0\n0.000000 3.133131 3.133131\n3.133131 0.000000 3.133131\n3.133131 3.133131 0.000000\nMg Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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"density": 8.28390374054821,
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"formula_full": "Mg1 Ga1 Pd2",
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"updated_at": "2021-11-28T01:36:47.866000Z",
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},
{
"id": "mp-1072167",
"created_at": "2022-09-04T14:45:05.162615Z",
"structure_string": "Eu2 N4\n1.0\n-2.267321 2.267321 5.958964\n2.267321 -2.267321 5.958964\n2.267321 2.267321 -5.958964\nEu N\n2 4\ndirect\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.302872 0.302872 0.000000 N\n0.052872 0.552872 0.500000 N\n0.447128 0.947128 0.500000 N\n0.697128 0.697128 0.000000 N\n",
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"volume": 122.53404604097881,
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"formula_full": "Eu2 N4",
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{
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"created_at": "2022-09-04T14:45:05.108236Z",
"structure_string": "Na4 Sn2 P2 C2 O14\n1.0\n6.914965 0.000000 0.000000\n0.000000 5.576873 0.000000\n0.000000 0.542726 9.127887\nNa Sn P C O\n4 2 2 2 14\ndirect\n0.258198 0.776323 0.083432 Na\n0.034333 0.260023 0.273194 Na\n0.534333 0.739977 0.726806 Na\n0.758198 0.223677 0.916568 Na\n0.738649 0.783663 0.340984 Sn\n0.238649 0.216337 0.659016 Sn\n0.247153 0.725046 0.418502 P\n0.747153 0.274954 0.581498 P\n0.751910 0.688241 0.051269 C\n0.251910 0.311759 0.948731 C\n0.739016 0.911074 0.092735 O\n0.229454 0.361779 0.081265 O\n0.785127 0.520350 0.155674 O\n0.423669 0.779793 0.314292 O\n0.072284 0.823993 0.323751 O\n0.770285 0.155760 0.433979 O\n0.221911 0.448501 0.449056 O\n0.721911 0.551499 0.550944 O\n0.270285 0.844240 0.566021 O\n0.572284 0.176007 0.676249 O\n0.923669 0.220207 0.685708 O\n0.285127 0.479650 0.844326 O\n0.729453 0.638221 0.918735 O\n0.239016 0.088926 0.907265 O\n",
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"formula_full": "Na4 Sn2 P2 C2 O14",
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{
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"created_at": "2022-09-04T14:45:05.168454Z",
"structure_string": "Li2 Fe1 Hg1 F6\n1.0\n6.209074 0.000000 0.000000\n3.104537 5.377216 0.000000\n3.104537 1.792405 5.069687\nLi Fe Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Hg\n0.222855 0.777145 0.222855 F\n0.777145 0.777145 0.222855 F\n0.777145 0.222855 0.777145 F\n0.777145 0.222855 0.222855 F\n0.222855 0.777145 0.777145 F\n0.222855 0.222855 0.777145 F\n",
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"volume": 169.2643372364447,
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"formula_full": "Li2 Fe1 Hg1 F6",
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"spacegroup": 225
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{
"id": "mp-1220741",
"created_at": "2022-09-04T14:45:05.177841Z",
"structure_string": "Na1 La1 Ta2 O7\n1.0\n-1.962761 1.962761 10.860935\n1.962761 -1.962761 10.860935\n1.962761 1.962761 -10.860935\nNa La Ta O\n1 1 2 7\ndirect\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.604246 0.604246 0.000000 Ta\n0.395755 0.395755 0.000000 Ta\n0.687466 0.687466 0.000000 O\n0.312534 0.312534 0.000000 O\n0.415002 0.915002 0.500000 O\n0.915318 0.415318 0.500000 O\n0.584682 0.084682 0.500000 O\n0.084998 0.584998 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Sr8 V8 O4 F40\n1.0\n3.937359 -10.063844 0.000000\n3.937359 10.063844 0.000000\n0.000000 0.000000 10.787626\nSr V O F\n8 8 4 40\ndirect\n0.381569 0.618431 0.955679 Sr\n0.618431 0.381569 0.044321 Sr\n0.118431 0.881569 0.455679 Sr\n0.881569 0.118431 0.544321 Sr\n0.468498 0.031502 0.750000 Sr\n0.531502 0.968498 0.250000 Sr\n0.031502 0.468498 0.250000 Sr\n0.968498 0.531502 0.750000 Sr\n0.328556 0.671444 0.565692 V\n0.671444 0.328556 0.434308 V\n0.171444 0.828556 0.065692 V\n0.828556 0.171444 0.934308 V\n0.280730 0.219270 0.750000 V\n0.719270 0.780730 0.250000 V\n0.219270 0.280730 0.250000 V\n0.780730 0.719270 0.750000 V\n0.407182 0.592818 0.548218 O\n0.592818 0.407182 0.451782 O\n0.092818 0.907182 0.048218 O\n0.907182 0.092818 0.951782 O\n0.218442 0.781558 0.604004 F\n0.781558 0.218442 0.395996 F\n0.281558 0.718442 0.104004 F\n0.718442 0.281558 0.895996 F\n0.198991 0.801009 0.892159 F\n0.801009 0.198991 0.107841 F\n0.301009 0.698991 0.392159 F\n0.698991 0.301009 0.607841 F\n0.031685 0.968315 0.790149 F\n0.968315 0.031685 0.209851 F\n0.468315 0.531685 0.290149 F\n0.531685 0.468315 0.709851 F\n0.321122 0.678878 0.746130 F\n0.678878 0.321122 0.253870 F\n0.178878 0.821122 0.246130 F\n0.821122 0.178878 0.753870 F\n0.768410 0.834408 0.629328 F\n0.231590 0.165592 0.370672 F\n0.731590 0.665592 0.129328 F\n0.665592 0.731590 0.870672 F\n0.268410 0.334408 0.870672 F\n0.334408 0.268410 0.129328 F\n0.834408 0.768410 0.370672 F\n0.165592 0.231590 0.629328 F\n0.305158 0.098110 0.637847 F\n0.694842 0.901890 0.362153 F\n0.194842 0.401890 0.137847 F\n0.401890 0.194842 0.862153 F\n0.805158 0.598110 0.862153 F\n0.598110 0.805158 0.137847 F\n0.098110 0.305158 0.362153 F\n0.901890 0.694842 0.637847 F\n0.549323 0.927878 0.578101 F\n0.450677 0.072122 0.421899 F\n0.950677 0.572122 0.078101 F\n0.572122 0.950677 0.921899 F\n0.049323 0.427878 0.921899 F\n0.427878 0.049323 0.078101 F\n0.927878 0.549323 0.421899 F\n0.072122 0.450677 0.578101 F\n",
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{
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"structure_string": "V1 Cr1 N2\n1.0\n-2.110411 -2.110411 0.000000\n0.000000 2.110411 -2.110411\n1.963069 -1.963069 -4.073479\nV Cr N\n1 1 2\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Cr\n0.251611 0.503221 0.245168 N\n0.748389 0.496779 0.754832 N\n",
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{
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"structure_string": "Mg8 Si4 O16\n1.0\n6.080911 0.000000 0.000000\n0.000000 4.800348 0.000000\n0.000000 0.014804 10.480718\nMg Si O\n8 4 16\ndirect\n0.743079 0.497381 0.741535 Mg\n0.256921 0.502619 0.258465 Mg\n0.000000 0.500000 0.500000 Mg\n0.256921 0.497381 0.741535 Mg\n0.743079 0.502619 0.258465 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.092678 0.165232 Si\n0.500000 0.907322 0.834768 Si\n0.000000 0.918248 0.330655 Si\n0.000000 0.081752 0.669345 Si\n0.285104 0.741830 0.902832 O\n0.500000 0.754859 0.166428 O\n0.714896 0.741830 0.902832 O\n0.000000 0.744121 0.191477 O\n0.714896 0.258170 0.097168 O\n0.784116 0.775258 0.406533 O\n0.285104 0.258170 0.097168 O\n0.215884 0.775258 0.406533 O\n0.784116 0.224742 0.593467 O\n0.000000 0.256660 0.333135 O\n0.500000 0.772043 0.686624 O\n0.000000 0.743340 0.666865 O\n0.500000 0.245141 0.833572 O\n0.500000 0.227957 0.313376 O\n0.000000 0.255879 0.808523 O\n0.215884 0.224742 0.593467 O\n",
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{
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{
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"structure_string": "Cu16 Cl8 O24\n1.0\n5.763770 -6.328494 0.000000\n5.763770 6.328494 0.000000\n-1.184779 0.000000 8.477452\nCu Cl O\n16 8 24\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.999688 0.752903 0.251693 Cu\n0.251693 0.999688 0.752903 Cu\n0.752903 0.251693 0.999688 Cu\n0.000312 0.247097 0.748307 Cu\n0.748307 0.000312 0.247097 Cu\n0.247097 0.748307 0.000312 Cu\n0.245781 0.498815 0.252747 Cu\n0.252747 0.245781 0.498815 Cu\n0.498815 0.252747 0.245781 Cu\n0.754219 0.501185 0.747253 Cu\n0.747253 0.754219 0.501185 Cu\n0.501185 0.747253 0.754219 Cu\n0.809324 0.809324 0.809324 Cl\n0.190676 0.190676 0.190676 Cl\n0.312170 0.806642 0.310113 Cl\n0.310113 0.312170 0.806642 Cl\n0.806642 0.310113 0.312170 Cl\n0.687830 0.193358 0.689887 Cl\n0.689887 0.687830 0.193358 Cl\n0.193358 0.689887 0.687830 Cl\n0.224666 0.532076 0.035614 O\n0.035614 0.224666 0.532076 O\n0.532076 0.035614 0.224666 O\n0.775334 0.467924 0.964386 O\n0.964386 0.775334 0.467924 O\n0.467924 0.964386 0.775334 O\n0.031825 0.733847 0.036815 O\n0.036815 0.031825 0.733847 O\n0.733847 0.036815 0.031825 O\n0.968175 0.266153 0.963185 O\n0.963185 0.968175 0.266153 O\n0.266153 0.963185 0.968175 O\n0.032513 0.538832 0.239914 O\n0.239914 0.032513 0.538832 O\n0.538832 0.239914 0.032513 O\n0.967487 0.461168 0.760086 O\n0.760086 0.967487 0.461168 O\n0.461168 0.760086 0.967487 O\n0.731864 0.537383 0.532088 O\n0.532088 0.731864 0.537383 O\n0.537383 0.532088 0.731864 O\n0.268136 0.462617 0.467912 O\n0.467912 0.268136 0.462617 O\n0.462617 0.467912 0.268136 O\n",
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}