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{
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{
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{
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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:47:00.150937Z",
"structure_string": "Ba24 Co22 O66\n1.0\n10.025450 5.790411 0.000000\n-10.025450 5.790411 0.000000\n0.000000 5.726792 13.645562\nBa Co O\n24 22 66\ndirect\n0.131090 0.549562 0.080481 Ba\n0.450438 0.868910 0.419519 Ba\n0.868910 0.450438 0.919519 Ba\n0.549562 0.131090 0.580481 Ba\n0.962435 0.381719 0.410051 Ba\n0.618281 0.037565 0.089949 Ba\n0.037565 0.618281 0.589949 Ba\n0.381719 0.962435 0.910051 Ba\n0.209733 0.790267 0.250000 Ba\n0.790267 0.209733 0.750000 Ba\n0.698478 0.301522 0.250000 Ba\n0.301522 0.698478 0.750000 Ba\n0.958841 0.871327 0.416509 Ba\n0.128673 0.041159 0.083491 Ba\n0.041159 0.128673 0.583491 Ba\n0.871327 0.958841 0.916509 Ba\n0.228659 0.302786 0.251705 Ba\n0.697214 0.771341 0.248295 Ba\n0.771341 0.697214 0.748295 Ba\n0.302786 0.228659 0.751705 Ba\n0.629719 0.547805 0.073388 Ba\n0.452195 0.370281 0.426612 Ba\n0.370281 0.452195 0.926612 Ba\n0.547805 0.629719 0.573388 Ba\n0.878313 0.121687 0.250000 Co\n0.121687 0.878313 0.750000 Co\n0.973425 0.225102 0.053440 Co\n0.774898 0.026575 0.446560 Co\n0.026575 0.774898 0.946560 Co\n0.225102 0.973425 0.553440 Co\n0.934497 0.684063 0.132723 Co\n0.315937 0.065503 0.367277 Co\n0.065503 0.315937 0.867277 Co\n0.684063 0.934497 0.632723 Co\n0.843996 0.593987 0.312804 Co\n0.406013 0.156004 0.187196 Co\n0.156004 0.406013 0.687196 Co\n0.593987 0.843996 0.812804 Co\n0.757124 0.506405 0.488582 Co\n0.493595 0.242876 0.011418 Co\n0.242876 0.493595 0.511418 Co\n0.506405 0.757124 0.988582 Co\n0.329557 0.581362 0.339099 Co\n0.418638 0.670443 0.160901 Co\n0.670443 0.418638 0.660901 Co\n0.581362 0.329557 0.839099 Co\n0.907247 0.799798 0.044105 O\n0.200202 0.092753 0.455895 O\n0.092753 0.200202 0.955895 O\n0.799798 0.907247 0.544105 O\n0.726355 0.623143 0.400681 O\n0.376857 0.273645 0.099319 O\n0.273645 0.376857 0.599319 O\n0.623143 0.726355 0.900681 O\n0.447551 0.552449 0.250000 O\n0.552449 0.447551 0.750000 O\n0.906349 0.584053 0.047145 O\n0.415947 0.093651 0.452855 O\n0.093651 0.415947 0.952855 O\n0.584053 0.906349 0.547145 O\n0.595673 0.273411 0.098186 O\n0.726589 0.404327 0.401814 O\n0.404327 0.726589 0.901814 O\n0.273411 0.595673 0.598186 O\n0.227099 0.552194 0.249324 O\n0.447806 0.772901 0.250676 O\n0.772901 0.447806 0.750676 O\n0.552194 0.227099 0.749324 O\n0.948617 0.624782 0.399038 O\n0.375218 0.051383 0.100962 O\n0.051383 0.375218 0.600962 O\n0.624782 0.948617 0.899038 O\n0.123467 0.802403 0.040457 O\n0.197597 0.876533 0.459543 O\n0.876533 0.197597 0.959543 O\n0.802403 0.123467 0.540457 O\n0.858455 0.254221 0.137784 O\n0.745779 0.141545 0.362216 O\n0.141545 0.745779 0.862216 O\n0.254221 0.858455 0.637784 O\n0.961933 0.565241 0.224793 O\n0.434759 0.038067 0.275207 O\n0.038067 0.434759 0.775207 O\n0.565241 0.961933 0.724793 O\n0.212169 0.612185 0.423271 O\n0.387815 0.787831 0.076729 O\n0.787831 0.387815 0.576729 O\n0.612185 0.212169 0.923271 O\n0.081414 0.259581 0.133417 O\n0.740419 0.918586 0.366583 O\n0.918586 0.740419 0.866583 O\n0.259581 0.081414 0.633417 O\n0.036311 0.857242 0.644170 O\n0.142758 0.963689 0.855830 O\n0.963689 0.142758 0.355830 O\n0.857242 0.036311 0.144170 O\n0.961899 0.783449 0.223246 O\n0.216551 0.038101 0.276754 O\n0.038101 0.216551 0.776754 O\n0.783449 0.961899 0.723246 O\n0.213767 0.390953 0.424132 O\n0.609047 0.786233 0.075868 O\n0.786233 0.609047 0.575868 O\n0.390953 0.213767 0.924132 O\n0.389083 0.565022 0.075994 O\n0.434978 0.610917 0.424006 O\n0.610917 0.434978 0.924006 O\n0.565022 0.389083 0.575994 O\n0.742290 0.565285 0.223427 O\n0.434715 0.257710 0.276573 O\n0.257710 0.434715 0.776573 O\n0.565285 0.742290 0.723427 O\n",
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"elements": [
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"chemical_system": "Ba-Co-O",
"density": 5.9201831013238655,
"density_atomic": 0.07069412668361473,
"volume": 1584.2900288060143,
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"formula_full": "Ba24 Co22 O66",
"formula_reduced": "Ba12(CoO3)11",
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"updated_at": "2021-11-28T01:37:51.296000Z",
"spacegroup": 15
},
{
"id": "mp-1227608",
"created_at": "2022-09-04T14:46:37.524029Z",
"structure_string": "La12 Fe11 S30\n1.0\n-3.948970 0.000000 -0.000000\n-0.000000 0.198067 -11.075610\n-1.974485 -24.857441 0.424484\nLa Fe S\n12 11 30\ndirect\n0.875103 0.066422 0.249794 La\n0.123989 0.545852 0.752022 La\n0.541565 0.057689 0.916869 La\n0.458332 0.558593 0.083337 La\n0.872965 0.447780 0.254070 La\n0.127140 0.936502 0.745721 La\n0.541037 0.439434 0.917925 La\n0.460411 0.935774 0.079178 La\n0.794073 0.962525 0.411853 La\n0.204393 0.469367 0.591215 La\n0.791667 0.577470 0.416665 La\n0.204202 0.089505 0.591596 La\n0.973032 0.279101 0.053936 Fe\n0.031340 0.770406 0.937320 Fe\n0.897290 0.746159 0.205420 Fe\n0.105839 0.233993 0.788322 Fe\n0.435978 0.239360 0.128044 Fe\n0.565597 0.749435 0.868806 Fe\n0.698989 0.799414 0.602022 Fe\n0.300284 0.289207 0.399432 Fe\n0.362030 0.783374 0.275941 Fe\n0.767328 0.270820 0.465343 Fe\n0.231781 0.775546 0.536438 Fe\n0.599554 0.388386 0.800893 S\n0.400198 0.900407 0.199604 S\n0.934152 0.093521 0.131695 S\n0.063462 0.607015 0.873075 S\n0.933338 0.396658 0.133324 S\n0.067111 0.895054 0.865778 S\n0.670761 0.965403 0.658478 S\n0.327598 0.455338 0.344805 S\n0.717734 0.273667 0.564532 S\n0.281625 0.770732 0.436749 S\n0.731035 0.632475 0.537930 S\n0.269130 0.130237 0.461740 S\n0.996970 0.459763 0.006061 S\n0.004829 0.944515 0.990343 S\n0.486101 0.186049 0.027798 S\n0.513044 0.701666 0.973913 S\n0.664126 0.486543 0.671748 S\n0.336960 0.971746 0.326081 S\n0.615028 0.743113 0.769943 S\n0.385231 0.254176 0.229539 S\n0.845924 0.700042 0.308152 S\n0.150069 0.200457 0.699862 S\n0.818252 0.214844 0.363497 S\n0.181619 0.731791 0.636762 S\n0.947698 0.746346 0.104604 S\n0.051653 0.245927 0.896695 S\n0.599656 0.086854 0.800687 S\n0.398448 0.600369 0.203104 S\n0.734080 0.932275 0.531841 S\n0.264552 0.425300 0.470897 S\n",
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"formula_full": "La12 Fe11 S30",
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}
]
}