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{
"id": "mp-1211727",
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{
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"structure_string": "Lu12 Pt4\n1.0\n6.354157 0.000000 0.000000\n0.000000 6.927551 0.000000\n0.000000 0.000000 9.362992\nLu Pt\n12 4\ndirect\n0.320873 0.680862 0.061683 Lu\n0.179127 0.180862 0.438317 Lu\n0.679127 0.319138 0.561683 Lu\n0.820873 0.819138 0.938317 Lu\n0.679127 0.319138 0.938317 Lu\n0.820873 0.819138 0.561683 Lu\n0.320873 0.680862 0.438317 Lu\n0.179127 0.180862 0.061683 Lu\n0.868736 0.528964 0.250000 Lu\n0.631264 0.028964 0.250000 Lu\n0.131264 0.471036 0.750000 Lu\n0.368736 0.971036 0.750000 Lu\n0.047352 0.889677 0.250000 Pt\n0.452648 0.389677 0.250000 Pt\n0.952648 0.110323 0.750000 Pt\n0.547352 0.610323 0.750000 Pt\n",
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{
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"created_at": "2022-09-04T14:45:39.061002Z",
"structure_string": "Sr3 Ce1 Mn4 O12\n1.0\n-3.897559 3.897559 3.897559\n3.897559 -3.897559 3.897559\n3.897559 3.897559 -3.897559\nSr Ce Mn O\n3 1 4 12\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.516517 0.758259 0.758259 O\n0.000000 0.241741 0.758259 O\n0.000000 0.758259 0.241741 O\n0.483483 0.241741 0.241741 O\n0.758259 0.000000 0.241741 O\n0.241741 0.483483 0.241741 O\n0.241741 0.000000 0.758259 O\n0.758259 0.516517 0.758259 O\n0.758259 0.758259 0.516517 O\n0.241741 0.241741 0.483483 O\n0.241741 0.758259 0.000000 O\n0.758259 0.241741 0.000000 O\n",
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{
"id": "mp-1214536",
"created_at": "2022-09-04T14:45:39.082193Z",
"structure_string": "Ba6 Ho2 Ru4 O18\n1.0\n2.977427 -5.157054 0.000000\n2.977427 5.157054 0.000000\n0.000000 0.000000 14.575577\nBa Ho Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.093713 Ba\n0.666667 0.333333 0.906287 Ba\n0.666667 0.333333 0.593713 Ba\n0.333333 0.666667 0.406287 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.333333 0.666667 0.663787 Ru\n0.666667 0.333333 0.336213 Ru\n0.666667 0.333333 0.163787 Ru\n0.333333 0.666667 0.836213 Ru\n0.175950 0.351899 0.587531 O\n0.824050 0.648101 0.412469 O\n0.648101 0.824050 0.587531 O\n0.824050 0.648101 0.087531 O\n0.351899 0.175950 0.412469 O\n0.175950 0.351899 0.912469 O\n0.175950 0.824050 0.587531 O\n0.351899 0.175950 0.087531 O\n0.824050 0.175950 0.412469 O\n0.648101 0.824050 0.912469 O\n0.824050 0.175950 0.087531 O\n0.175950 0.824050 0.912469 O\n0.510316 0.020632 0.250000 O\n0.489684 0.979368 0.750000 O\n0.979368 0.489684 0.250000 O\n0.020632 0.510316 0.750000 O\n0.510316 0.489684 0.250000 O\n0.489684 0.510316 0.750000 O\n",
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"density": 6.848632257532012,
"density_atomic": 0.0670228207323432,
"volume": 447.608734938291,
"volume_molar": 8.985209357346394,
"formula_full": "Ba6 Ho2 Ru4 O18",
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"updated_at": "2021-11-28T01:37:03.559000Z",
"spacegroup": 194
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{
"id": "mp-1332980",
"created_at": "2022-09-04T14:45:39.179774Z",
"structure_string": "Nb4 Co4 O18\n1.0\n2.440220 -4.226585 0.000000\n2.440220 4.226585 0.000000\n0.000000 0.000000 14.237092\nNb Co O\n4 4 18\ndirect\n0.000000 0.000000 0.659312 Nb\n0.000000 0.000000 0.159312 Nb\n0.000000 0.000000 0.840688 Nb\n0.000000 0.000000 0.340688 Nb\n0.333333 0.666667 0.000000 Co\n0.333333 0.666667 0.500000 Co\n0.666667 0.333333 0.000000 Co\n0.666667 0.333333 0.500000 Co\n0.647689 0.647689 0.574295 O\n0.000000 0.701506 0.750000 O\n0.647689 0.000000 0.425705 O\n0.352311 0.352311 0.425705 O\n0.000000 0.352311 0.574295 O\n0.701506 0.701506 0.250000 O\n0.000000 0.352311 0.925705 O\n0.352311 0.000000 0.574295 O\n0.352311 0.352311 0.074295 O\n0.000000 0.647689 0.425705 O\n0.647689 0.647689 0.925705 O\n0.647689 0.000000 0.074295 O\n0.701506 0.000000 0.750000 O\n0.298494 0.298494 0.750000 O\n0.298494 0.000000 0.250000 O\n0.000000 0.647689 0.074295 O\n0.000000 0.298494 0.250000 O\n0.352311 0.000000 0.925705 O\n",
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],
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"density_atomic": 0.08853265147882815,
"volume": 293.6769605981776,
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"formula_full": "Nb4 Co4 O18",
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{
"id": "mp-1211308",
"created_at": "2022-09-04T14:45:38.932124Z",
"structure_string": "Nd12 In1 Ni6\n1.0\n-5.040308 5.040308 5.040308\n5.040308 -5.040308 5.040308\n5.040308 5.040308 -5.040308\nNd In Ni\n12 1 6\ndirect\n0.813986 0.693130 0.507117 Nd\n0.186014 0.306870 0.492883 Nd\n0.186014 0.693130 0.879144 Nd\n0.813986 0.306870 0.120856 Nd\n0.693130 0.507117 0.813986 Nd\n0.306870 0.492883 0.186014 Nd\n0.693130 0.879144 0.186014 Nd\n0.306870 0.120856 0.813986 Nd\n0.507117 0.813986 0.693130 Nd\n0.492883 0.186014 0.306870 Nd\n0.120856 0.813986 0.306870 Nd\n0.879144 0.186014 0.693130 Nd\n0.000000 0.000000 0.000000 In\n0.878422 0.378422 0.500000 Ni\n0.121578 0.621578 0.500000 Ni\n0.378422 0.500000 0.878422 Ni\n0.621578 0.500000 0.121578 Ni\n0.500000 0.878422 0.378422 Ni\n0.500000 0.121578 0.621578 Ni\n",
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{
"id": "mp-1216139",
"created_at": "2022-09-04T14:45:38.974885Z",
"structure_string": "Y4 C4 I3 Br1\n1.0\n1.956700 3.625521 0.000000\n-1.956700 3.625521 0.000000\n0.000000 1.473609 20.894000\nY C I Br\n4 4 3 1\ndirect\n0.855281 0.855281 0.066686 Y\n0.855750 0.855750 0.564842 Y\n0.146818 0.146818 0.431019 Y\n0.144509 0.144509 0.933760 Y\n0.577086 0.577086 0.015464 C\n0.577692 0.577692 0.513485 C\n0.424616 0.424616 0.482162 C\n0.422920 0.422920 0.984748 C\n0.826273 0.826273 0.833197 I\n0.173551 0.173551 0.167579 I\n0.174020 0.174020 0.665783 I\n0.821483 0.821483 0.341274 Br\n",
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{
"id": "mp-1022091",
"created_at": "2022-09-04T14:45:39.037886Z",
"structure_string": "La2 Mg12 Cu2\n1.0\n4.954181 0.000000 0.000000\n0.000000 5.985388 0.000000\n0.000000 0.000000 12.925185\nLa Mg Cu\n2 12 2\ndirect\n0.500000 0.500000 0.198082 La\n0.500000 0.000000 0.698082 La\n0.500000 0.247474 0.438897 Mg\n0.500000 0.752526 0.438897 Mg\n0.000000 0.753576 0.075508 Mg\n0.000000 0.246424 0.075508 Mg\n0.000000 0.000000 0.293860 Mg\n0.000000 0.500000 0.357608 Mg\n0.500000 0.747474 0.938897 Mg\n0.500000 0.252526 0.938897 Mg\n0.000000 0.253576 0.575508 Mg\n0.000000 0.746424 0.575508 Mg\n0.000000 0.500000 0.793860 Mg\n0.000000 0.000000 0.857608 Mg\n0.500000 0.000000 0.121636 Cu\n0.500000 0.500000 0.621636 Cu\n",
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"formula_full": "La2 Mg12 Cu2",
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{
"id": "mp-1228791",
"created_at": "2022-09-04T14:45:39.202903Z",
"structure_string": "Ba36 Al9 Sn23\n1.0\n9.960446 -9.984319 0.000000\n9.960446 9.984319 0.000000\n0.000000 0.000000 13.109818\nBa Al Sn\n36 9 23\ndirect\n0.275850 0.075217 0.750190 Ba\n0.724804 0.925319 0.749553 Ba\n0.224300 0.575382 0.749376 Ba\n0.775572 0.424374 0.748919 Ba\n0.424374 0.775572 0.748919 Ba\n0.575382 0.224300 0.749376 Ba\n0.925319 0.724804 0.749553 Ba\n0.075217 0.275850 0.750190 Ba\n0.724804 0.925319 0.250447 Ba\n0.275850 0.075217 0.249810 Ba\n0.775572 0.424374 0.251081 Ba\n0.224300 0.575382 0.250624 Ba\n0.575382 0.224300 0.250624 Ba\n0.424374 0.775572 0.251081 Ba\n0.075217 0.275850 0.249810 Ba\n0.925319 0.724804 0.250447 Ba\n0.391492 0.203245 0.000000 Ba\n0.608332 0.796609 0.000000 Ba\n0.109027 0.703579 0.000000 Ba\n0.891573 0.296552 0.000000 Ba\n0.296552 0.891573 0.000000 Ba\n0.703579 0.109027 0.000000 Ba\n0.796609 0.608332 0.000000 Ba\n0.203245 0.391492 0.000000 Ba\n0.406717 0.213019 0.500000 Ba\n0.592462 0.786432 0.500000 Ba\n0.092682 0.713941 0.500000 Ba\n0.906934 0.286214 0.500000 Ba\n0.286214 0.906934 0.500000 Ba\n0.713941 0.092682 0.500000 Ba\n0.786432 0.592462 0.500000 Ba\n0.213019 0.406717 0.500000 Ba\n0.000395 0.000395 0.648571 Ba\n0.499974 0.499974 0.648002 Ba\n0.000395 0.000395 0.351429 Ba\n0.499974 0.499974 0.351998 Ba\n0.935025 0.069674 0.899230 Al\n0.069674 0.935025 0.899230 Al\n0.567136 0.567136 0.898261 Al\n0.432902 0.432902 0.898346 Al\n0.069674 0.935025 0.100770 Al\n0.935025 0.069674 0.100770 Al\n0.432902 0.432902 0.101654 Al\n0.567136 0.567136 0.101739 Al\n0.115658 0.115658 0.000000 Al\n0.831102 0.167931 0.755811 Sn\n0.167931 0.831102 0.755811 Sn\n0.668972 0.668972 0.755988 Sn\n0.331483 0.331483 0.755936 Sn\n0.167931 0.831102 0.244189 Sn\n0.831102 0.167931 0.244189 Sn\n0.331483 0.331483 0.244064 Sn\n0.668972 0.668972 0.244012 Sn\n0.349819 0.650368 0.500000 Sn\n0.650368 0.349819 0.500000 Sn\n0.150513 0.150513 0.500000 Sn\n0.849523 0.849523 0.500000 Sn\n0.499917 0.999902 0.627309 Sn\n0.999902 0.499917 0.627309 Sn\n0.499917 0.999902 0.372691 Sn\n0.999902 0.499917 0.372691 Sn\n0.500135 0.999999 0.870182 Sn\n0.999999 0.500135 0.870182 Sn\n0.500135 0.999999 0.129818 Sn\n0.999999 0.500135 0.129818 Sn\n0.875637 0.875637 0.000000 Sn\n0.374570 0.624373 0.000000 Sn\n0.624373 0.374570 0.000000 Sn\n",
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{
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"structure_string": "Li4 Fe1 Te2 W1 O12\n1.0\n5.207198 0.000000 0.000000\n-0.007270 5.488641 0.000000\n-0.014697 -0.557885 7.525524\nLi Fe Te W O\n4 1 2 1 12\ndirect\n0.995107 0.445314 0.303953 Li\n0.498334 0.919570 0.763345 Li\n0.008751 0.479867 0.746122 Li\n0.496055 0.903669 0.310570 Li\n0.500335 0.487521 0.500919 Fe\n0.002804 0.001041 0.503798 Te\n0.500399 0.489161 0.000508 Te\n0.000839 0.999347 0.004153 W\n0.293539 0.188121 0.428411 O\n0.127651 0.017047 0.753021 O\n0.310953 0.838562 0.060686 O\n0.191428 0.709233 0.434311 O\n0.826175 0.697363 0.930092 O\n0.383056 0.528173 0.752795 O\n0.620219 0.517470 0.247620 O\n0.160558 0.321637 0.059844 O\n0.828705 0.310895 0.548298 O\n0.688105 0.175700 0.927402 O\n0.870088 0.003109 0.244062 O\n0.696899 0.824803 0.551289 O\n",
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"density_atomic": 0.09298744896565744,
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"formula_full": "Li4 Fe1 Te2 W1 O12",
"formula_reduced": "Li4FeTe2WO12",
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{
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"formula_full": "Ga2 Ge6",
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{
"id": "mp-11561",
"created_at": "2022-09-04T14:45:42.850704Z",
"structure_string": "Tb1 Rh1\n1.0\n3.446418 0.000000 0.000000\n0.000000 3.446418 0.000000\n0.000000 0.000000 3.446418\nTb Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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"density": 10.621016009933673,
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"volume": 40.93585348703375,
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"formula_full": "Tb1 Rh1",
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"updated_at": "2021-11-28T01:37:15.912000Z",
"spacegroup": 221
}
]
}