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{
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{
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{
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"structure_string": "Cs1 V5 S8\n1.0\n1.682771 8.842113 0.000000\n-1.682771 8.842113 0.000000\n0.000000 2.087005 8.721658\nCs V S\n1 5 8\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 V\n0.351261 0.351261 0.993973 V\n0.294491 0.294491 0.331049 V\n0.705509 0.705509 0.668951 V\n0.648739 0.648739 0.006027 V\n0.427982 0.427982 0.167676 S\n0.911022 0.911022 0.830013 S\n0.829693 0.829693 0.491769 S\n0.760523 0.760523 0.150717 S\n0.239477 0.239477 0.849283 S\n0.170307 0.170307 0.508231 S\n0.088978 0.088978 0.169987 S\n0.572018 0.572018 0.832324 S\n",
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{
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"created_at": "2022-09-04T14:45:58.402507Z",
"structure_string": "Li9 Co7 O16\n1.0\n1.496822 19.370702 0.000000\n-1.496822 19.370702 0.000000\n0.000000 0.412050 4.955433\nLi Co O\n9 7 16\ndirect\n0.560508 0.560508 0.811756 Li\n0.687395 0.687395 0.438792 Li\n0.812572 0.812572 0.061423 Li\n0.939206 0.939206 0.680229 Li\n0.060794 0.060794 0.319771 Li\n0.187428 0.187428 0.938577 Li\n0.312605 0.312605 0.561208 Li\n0.439492 0.439492 0.188244 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.124380 0.124380 0.626275 Co\n0.249992 0.249992 0.250012 Co\n0.375449 0.375449 0.874366 Co\n0.624551 0.624551 0.125634 Co\n0.750008 0.750008 0.749988 Co\n0.875620 0.875620 0.373725 Co\n0.526566 0.526566 0.136800 O\n0.653594 0.653594 0.790650 O\n0.778897 0.778897 0.414739 O\n0.904211 0.904211 0.038167 O\n0.027710 0.027710 0.695536 O\n0.153505 0.153505 0.292009 O\n0.278919 0.278919 0.914785 O\n0.404998 0.404998 0.540390 O\n0.595002 0.595002 0.459610 O\n0.721081 0.721081 0.085215 O\n0.846495 0.846495 0.707991 O\n0.972290 0.972290 0.304464 O\n0.095789 0.095789 0.961833 O\n0.221103 0.221103 0.585261 O\n0.346406 0.346406 0.209350 O\n0.473434 0.473434 0.863200 O\n",
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{
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"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "mp-1522043",
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"structure_string": "Sr1 Eu1 In1 Sn1 O6\n1.0\n-0.000000 -4.160821 -4.160821\n4.160821 0.000000 -4.160821\n4.160821 -4.160821 0.000000\nSr Eu In Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 In\n0.500000 0.500000 0.500000 Sn\n0.745541 0.254459 0.254459 O\n0.254459 0.745541 0.745541 O\n0.745541 0.254459 0.745541 O\n0.254459 0.745541 0.254459 O\n0.745541 0.745541 0.254459 O\n0.254459 0.254459 0.745541 O\n",
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{
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"structure_string": "Mn6 O12\n1.0\n2.925427 0.000000 0.000000\n0.000000 9.456414 0.000000\n0.000000 0.328639 9.565146\nMn O\n6 12\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.989353 0.765497 Mn\n0.000000 0.010647 0.234503 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.232858 0.981507 Mn\n0.500000 0.767142 0.018493 Mn\n0.500000 0.907882 0.159146 O\n0.500000 0.092118 0.840854 O\n0.000000 0.902113 0.411216 O\n0.000000 0.097887 0.588784 O\n0.500000 0.892552 0.675653 O\n0.500000 0.107448 0.324347 O\n0.000000 0.854525 0.920101 O\n0.000000 0.145475 0.079899 O\n0.500000 0.599355 0.906042 O\n0.500000 0.400645 0.093958 O\n0.000000 0.332899 0.888894 O\n0.000000 0.667101 0.111106 O\n",
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{
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"id": "mp-1213212",
"created_at": "2022-09-04T14:45:58.443602Z",
"structure_string": "Eu8 Pt2\n1.0\n-6.068506 -6.068506 0.000000\n-6.068506 0.000000 -6.068506\n0.000000 -6.068506 -6.068506\nEu Pt\n8 2\ndirect\n0.617603 0.617603 0.617603 Eu\n0.147191 0.617603 0.617603 Eu\n0.617603 0.147191 0.617603 Eu\n0.602809 0.132397 0.132397 Eu\n0.132397 0.132397 0.132397 Eu\n0.617603 0.617603 0.147191 Eu\n0.132397 0.602809 0.132397 Eu\n0.132397 0.132397 0.602809 Eu\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Eu",
"Pt"
],
"chemical_system": "Eu-Pt",
"density": 5.966049249543188,
"density_atomic": 0.02237302187850744,
"volume": 446.96688960048186,
"volume_molar": 26.916975242334818,
"formula_full": "Eu8 Pt2",
"formula_reduced": "Eu4Pt",
"formula_anonymous": "AB4",
"energy": -95.69668368,
"energy_per_atom": -9.569668368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.69668368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 57.9978079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.302000Z",
"spacegroup": 227
},
{
"id": "mp-772511",
"created_at": "2022-09-04T14:45:57.592503Z",
"structure_string": "Li8 Co6 Sn10 O32\n1.0\n3.045700 5.343965 0.023216\n-9.159160 5.355600 0.034927\n-0.008460 0.048173 9.871638\nLi Co Sn O\n8 6 10 32\ndirect\n0.507116 0.167024 0.892151 Li\n0.009863 0.666943 0.891327 Li\n0.972161 0.011917 0.985364 Li\n0.470170 0.511498 0.986599 Li\n0.983946 0.002829 0.498129 Li\n0.483248 0.501591 0.498783 Li\n0.502804 0.834294 0.404528 Li\n0.998492 0.330135 0.405151 Li\n0.242743 0.584621 0.215146 Co\n0.254851 0.409993 0.717847 Co\n0.500388 0.668455 0.710351 Co\n0.745900 0.086325 0.215586 Co\n0.747079 0.910361 0.714160 Co\n0.000088 0.167846 0.710455 Co\n0.497453 0.331546 0.215803 Sn\n0.003293 0.830774 0.212724 Sn\n0.504029 0.163498 0.495565 Sn\n0.008451 0.660574 0.495965 Sn\n0.256056 0.084699 0.214642 Sn\n0.752054 0.584258 0.214606 Sn\n0.258464 0.915481 0.714064 Sn\n0.757811 0.414271 0.714286 Sn\n0.508924 0.832504 0.983854 Sn\n0.011615 0.332646 0.985942 Sn\n0.499655 0.334980 0.598024 O\n0.003865 0.834650 0.595362 O\n0.269596 0.243090 0.344564 O\n0.777223 0.740756 0.344048 O\n0.495673 0.171125 0.099974 O\n0.013633 0.661141 0.106231 O\n0.002737 0.997939 0.313043 O\n0.482757 0.506121 0.311139 O\n0.997588 0.009270 0.801102 O\n0.500516 0.497410 0.806649 O\n0.231687 0.085099 0.596231 O\n0.745402 0.573651 0.585659 O\n0.719376 0.247459 0.346522 O\n0.229486 0.730382 0.334779 O\n0.495288 0.016961 0.345216 O\n0.014621 0.516647 0.332582 O\n0.244112 0.920282 0.093373 O\n0.740159 0.420354 0.094716 O\n0.748177 0.075024 0.603034 O\n0.245325 0.569320 0.602885 O\n0.502263 0.985164 0.843868 O\n0.000078 0.483356 0.845270 O\n0.277985 0.761165 0.847995 O\n0.790724 0.252124 0.841800 O\n0.505542 0.837263 0.603454 O\n0.004073 0.321642 0.610288 O\n0.758227 0.914489 0.096482 O\n0.254363 0.427882 0.102176 O\n0.738815 0.767703 0.838609 O\n0.236732 0.266767 0.838868 O\n0.492194 0.661364 0.101438 O\n0.005427 0.165636 0.097265 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn",
"density": 5.434401713050003,
"density_atomic": 0.08693150876031396,
"volume": 644.1852994223559,
"volume_molar": 6.92745455115031,
"formula_full": "Li8 Co6 Sn10 O32",
"formula_reduced": "Li4Co3Sn5O16",
"formula_anonymous": "A3B4C5D16",
"energy": -365.31512858,
"energy_per_atom": -6.5234844389285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -333.50312858,
"band_gap": 0.5381,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0039031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.338000Z",
"spacegroup": 1
}
]
}