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{
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{
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{
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"structure_string": "Nd6 Ho2\n1.0\n3.658653 -6.336972 0.000000\n3.658653 6.336972 0.000000\n0.000000 0.000000 5.977780\nNd Ho\n6 2\ndirect\n0.167236 0.334473 0.250000 Nd\n0.665527 0.832764 0.250000 Nd\n0.167236 0.832764 0.250000 Nd\n0.832764 0.665527 0.750000 Nd\n0.334473 0.167236 0.750000 Nd\n0.832764 0.167236 0.750000 Nd\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n",
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{
"id": "mp-1228840",
"created_at": "2022-09-04T14:43:05.547731Z",
"structure_string": "Al1 V1 Ni2\n1.0\n2.648148 0.000000 0.000000\n0.000000 2.648148 0.000000\n0.000000 0.000000 6.856061\nAl V Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.239103 Ni\n0.500000 0.500000 0.760897 Ni\n",
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{
"id": "mp-1018823",
"created_at": "2022-09-04T14:43:05.987260Z",
"structure_string": "Ni2 P2 Rh2\n1.0\n3.512054 0.000000 0.000000\n0.000000 3.512054 0.000000\n0.000000 0.000000 5.903996\nNi P Rh\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.752650 P\n0.500000 0.000000 0.247350 P\n0.000000 0.500000 0.366915 Rh\n0.500000 0.000000 0.633085 Rh\n",
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"density": 8.78224002956949,
"density_atomic": 0.08239157902555913,
"volume": 72.82297621870687,
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{
"id": "mp-1034374",
"created_at": "2022-09-04T14:43:05.548681Z",
"structure_string": "Rb1 Mg14 B1 O15\n1.0\n4.311538 0.000000 0.000000\n0.000000 8.142698 0.000000\n0.000000 0.000000 9.710699\nRb Mg B O\n1 14 1 15\ndirect\n0.000000 0.000000 0.050024 Rb\n0.000000 0.000000 0.518277 Mg\n0.000000 0.500000 0.493672 Mg\n0.500000 0.743796 0.974285 Mg\n0.500000 0.256204 0.974285 Mg\n0.500000 0.744734 0.529741 Mg\n0.500000 0.255266 0.529741 Mg\n0.500000 0.000000 0.746523 Mg\n0.500000 0.500000 0.753245 Mg\n0.500000 0.000000 0.298019 Mg\n0.500000 0.500000 0.205159 Mg\n0.000000 0.752048 0.747607 Mg\n0.000000 0.247952 0.747607 Mg\n0.000000 0.745737 0.288298 Mg\n0.000000 0.254263 0.288298 Mg\n0.000000 0.500000 0.915939 B\n0.000000 0.000000 0.726729 O\n0.000000 0.000000 0.310490 O\n0.000000 0.500000 0.280333 O\n0.500000 0.746099 0.744082 O\n0.500000 0.253901 0.744082 O\n0.500000 0.757699 0.234527 O\n0.500000 0.242301 0.234527 O\n0.500000 0.000000 0.946723 O\n0.500000 0.500000 0.980939 O\n0.500000 0.000000 0.512314 O\n0.500000 0.500000 0.527371 O\n0.000000 0.670024 0.960408 O\n0.000000 0.329976 0.960408 O\n0.000000 0.744582 0.513174 O\n0.000000 0.255418 0.513174 O\n",
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"spacegroup": 25
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{
"id": "mp-1111781",
"created_at": "2022-09-04T14:43:05.550649Z",
"structure_string": "Cs1 Rb2 Ga1 Br6\n1.0\n0.000000 5.941237 5.941237\n5.941237 0.000000 5.941237\n5.941237 5.941237 0.000000\nCs Rb Ga Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.783853 0.216147 0.216147 Br\n0.216147 0.216147 0.783853 Br\n0.216147 0.783853 0.783853 Br\n0.216147 0.783853 0.216147 Br\n0.783853 0.216147 0.783853 Br\n0.783853 0.783853 0.216147 Br\n",
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"volume": 419.4310974182088,
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"formula_full": "Cs1 Rb2 Ga1 Br6",
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{
"id": "mp-20767",
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"structure_string": "Fe4 Sb8 S16\n1.0\n3.631538 0.000000 0.000000\n0.000000 11.295135 0.000000\n0.000000 0.000000 13.738662\nFe Sb S\n4 8 16\ndirect\n0.250000 0.830272 0.837452 Fe\n0.250000 0.330272 0.662548 Fe\n0.750000 0.169728 0.162548 Fe\n0.750000 0.669728 0.337452 Fe\n0.250000 0.648857 0.574987 Sb\n0.250000 0.148857 0.925013 Sb\n0.750000 0.351143 0.425013 Sb\n0.750000 0.851143 0.074987 Sb\n0.750000 0.533992 0.888699 Sb\n0.750000 0.033992 0.611301 Sb\n0.250000 0.466008 0.111301 Sb\n0.250000 0.966008 0.388699 Sb\n0.750000 0.715514 0.781418 S\n0.750000 0.215514 0.718582 S\n0.250000 0.284486 0.218582 S\n0.250000 0.784486 0.281418 S\n0.250000 0.904060 0.687230 S\n0.250000 0.404060 0.812770 S\n0.750000 0.095940 0.312770 S\n0.750000 0.595940 0.187230 S\n0.250000 0.733237 0.982450 S\n0.250000 0.233237 0.517550 S\n0.750000 0.266763 0.017550 S\n0.750000 0.766763 0.482450 S\n0.750000 0.938626 0.898119 S\n0.750000 0.438626 0.601881 S\n0.250000 0.061374 0.101881 S\n0.250000 0.561374 0.398119 S\n",
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{
"id": "mp-1073593",
"created_at": "2022-09-04T14:43:06.336873Z",
"structure_string": "Mg4 Si8\n1.0\n2.949253 4.802337 0.000000\n-2.949253 4.802337 0.000000\n0.000000 0.971481 7.422727\nMg Si\n4 8\ndirect\n0.614098 0.614098 0.745515 Mg\n0.917907 0.917907 0.183707 Mg\n0.385902 0.385902 0.254485 Mg\n0.082093 0.082093 0.816293 Mg\n0.859091 0.451914 0.124411 Si\n0.067631 0.661226 0.553827 Si\n0.140909 0.548086 0.875589 Si\n0.932369 0.338774 0.446173 Si\n0.661226 0.067631 0.553827 Si\n0.451914 0.859091 0.124411 Si\n0.338774 0.932369 0.446173 Si\n0.548086 0.140909 0.875589 Si\n",
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{
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"structure_string": "K8 H24 Pt4 C16 N16 O12\n1.0\n6.980295 0.000000 0.000000\n0.000000 11.884213 0.000000\n0.000000 0.000000 13.485198\nK H Pt C N O\n8 24 4 16 16 12\ndirect\n0.795822 0.859795 0.343840 K\n0.295822 0.640205 0.156160 K\n0.204178 0.640205 0.843840 K\n0.704178 0.859795 0.656160 K\n0.204178 0.140205 0.656160 K\n0.704178 0.359795 0.843840 K\n0.795822 0.359795 0.156160 K\n0.295822 0.140205 0.343840 K\n0.854601 0.581131 0.011938 H\n0.354601 0.918869 0.488062 H\n0.145399 0.918869 0.511938 H\n0.645399 0.581131 0.988062 H\n0.145399 0.418869 0.988062 H\n0.645399 0.081131 0.511938 H\n0.854601 0.081131 0.488062 H\n0.354601 0.418869 0.011938 H\n0.760861 0.640529 0.219469 H\n0.260861 0.859471 0.280531 H\n0.239139 0.859471 0.719469 H\n0.739139 0.640529 0.780531 H\n0.239139 0.359471 0.780531 H\n0.739139 0.140529 0.719469 H\n0.760861 0.140529 0.280531 H\n0.260861 0.359471 0.219469 H\n0.740457 0.732103 0.140099 H\n0.240457 0.767897 0.359901 H\n0.259543 0.767897 0.640099 H\n0.759543 0.732103 0.859901 H\n0.259543 0.267897 0.859901 H\n0.759543 0.232103 0.640099 H\n0.740457 0.232103 0.359901 H\n0.240457 0.267897 0.140099 H\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500296 0.833987 0.979804 C\n0.000296 0.666013 0.520196 C\n0.499704 0.666013 0.479804 C\n0.999704 0.833987 0.020196 C\n0.499704 0.166013 0.020196 C\n0.999704 0.333987 0.479804 C\n0.500296 0.333987 0.520196 C\n0.000296 0.166013 0.979804 C\n0.484054 0.975712 0.145789 C\n0.984054 0.524288 0.354211 C\n0.515946 0.524288 0.645789 C\n0.015946 0.975712 0.854211 C\n0.515946 0.024288 0.854211 C\n0.015946 0.475712 0.645789 C\n0.484054 0.475712 0.354211 C\n0.984054 0.024288 0.145789 C\n0.501014 0.735664 0.970007 N\n0.001014 0.764336 0.529993 N\n0.498986 0.764336 0.470007 N\n0.998986 0.735664 0.029993 N\n0.498986 0.264336 0.029993 N\n0.998986 0.235664 0.470007 N\n0.501014 0.235664 0.529993 N\n0.001014 0.264336 0.970007 N\n0.473306 0.961313 0.231962 N\n0.973306 0.538687 0.268038 N\n0.526694 0.538687 0.731962 N\n0.026694 0.961313 0.768038 N\n0.526694 0.038687 0.768038 N\n0.026694 0.461313 0.731962 N\n0.473306 0.461313 0.268038 N\n0.973306 0.038687 0.231962 N\n0.750000 0.527592 0.000000 O\n0.250000 0.972408 0.500000 O\n0.250000 0.472408 0.000000 O\n0.750000 0.027592 0.500000 O\n0.678428 0.704265 0.199913 O\n0.178428 0.795735 0.300087 O\n0.321572 0.795735 0.699913 O\n0.821572 0.704265 0.800087 O\n0.321572 0.295735 0.800087 O\n0.821572 0.204265 0.699913 O\n0.678428 0.204265 0.300087 O\n0.178428 0.295735 0.199913 O\n",
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},
{
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"created_at": "2022-09-04T14:43:06.395532Z",
"structure_string": "Er2 W2 Cl2 O8\n1.0\n4.917241 3.660223 -1.578834\n4.917241 -3.660223 -1.578834\n0.013471 0.000000 -6.964024\nEr W Cl O\n2 2 2 8\ndirect\n0.777570 0.777570 0.119365 Er\n0.222430 0.222430 0.880635 Er\n0.637059 0.637059 0.734432 W\n0.362941 0.362941 0.265568 W\n0.988672 0.988672 0.772908 Cl\n0.011328 0.011328 0.227092 Cl\n0.704474 0.704474 0.463671 O\n0.295526 0.295526 0.536329 O\n0.546939 0.546939 0.192734 O\n0.453061 0.453061 0.807266 O\n0.105231 0.492918 0.155477 O\n0.492918 0.105231 0.155477 O\n0.894769 0.507082 0.844523 O\n0.507082 0.894769 0.844523 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cl-Er-O-W",
"density": 5.972720978450389,
"density_atomic": 0.05588285180012189,
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"formula_full": "Er2 W2 Cl2 O8",
"formula_reduced": "ErWClO4",
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"updated_at": "2021-11-28T01:36:08.077000Z",
"spacegroup": 12
},
{
"id": "mp-1097161",
"created_at": "2022-09-04T14:43:06.378960Z",
"structure_string": "Sr1 Y1 Pd2\n1.0\n-5.500554 6.251761 8.839233\n5.500554 -6.251761 8.839233\n5.500554 6.251761 -8.839233\nSr Y Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Y\n0.000000 0.274855 0.274855 Pd\n0.000000 0.725145 0.725145 Pd\n",
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],
"chemical_system": "Pd-Sr-Y",
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"formula_full": "Sr1 Y1 Pd2",
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"updated_at": "2021-11-28T01:36:04.853000Z",
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]
}