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{
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{
"id": "mp-1040964",
"created_at": "2022-09-04T14:44:18.224535Z",
"structure_string": "Zn4 Cu8 Bi8 O32\n1.0\n8.607327 0.000000 0.000000\n0.000000 6.431885 0.000000\n0.000000 0.804489 13.769455\nZn Cu Bi O\n4 8 8 32\ndirect\n0.852325 0.894839 0.048149 Zn\n0.147675 0.105161 0.951851 Zn\n0.352325 0.105161 0.451851 Zn\n0.647675 0.894839 0.548149 Zn\n0.805327 0.250484 0.889862 Cu\n0.936779 0.644467 0.613262 Cu\n0.063221 0.355533 0.386738 Cu\n0.194673 0.749516 0.110138 Cu\n0.694673 0.250484 0.389862 Cu\n0.563221 0.644467 0.113262 Cu\n0.305327 0.749516 0.610138 Cu\n0.436779 0.355533 0.886738 Cu\n0.559336 0.897136 0.833597 Bi\n0.940664 0.897136 0.333597 Bi\n0.901341 0.370022 0.137789 Bi\n0.059336 0.102864 0.666403 Bi\n0.098659 0.629978 0.862211 Bi\n0.401341 0.629978 0.362211 Bi\n0.598659 0.370022 0.637789 Bi\n0.440664 0.102864 0.166403 Bi\n0.736071 0.966884 0.407709 O\n0.960354 0.364070 0.594257 O\n0.430343 0.802637 0.496138 O\n0.930343 0.197363 0.003862 O\n0.763929 0.966884 0.907709 O\n0.263929 0.033116 0.592291 O\n0.880845 0.922284 0.609360 O\n0.128573 0.485767 0.143256 O\n0.371427 0.485767 0.643256 O\n0.118337 0.714732 0.681210 O\n0.618337 0.285268 0.818790 O\n0.871427 0.514233 0.856744 O\n0.119155 0.077716 0.390640 O\n0.458237 0.117301 0.313819 O\n0.738111 0.610827 0.564688 O\n0.761889 0.610827 0.064688 O\n0.958237 0.882699 0.186181 O\n0.628573 0.514233 0.356744 O\n0.541763 0.882699 0.686181 O\n0.569657 0.197363 0.503862 O\n0.539646 0.364070 0.094257 O\n0.881663 0.285268 0.318790 O\n0.236071 0.033116 0.092291 O\n0.619155 0.922284 0.109360 O\n0.069657 0.802637 0.996138 O\n0.238111 0.389173 0.935312 O\n0.039646 0.635930 0.405743 O\n0.460354 0.635930 0.905743 O\n0.380845 0.077716 0.890640 O\n0.261889 0.389173 0.435312 O\n0.381663 0.714732 0.181210 O\n0.041763 0.117301 0.813819 O\n",
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"volume": 762.2954443637145,
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"formula_full": "Zn4 Cu8 Bi8 O32",
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"spacegroup": 14
},
{
"id": "mp-756020",
"created_at": "2022-09-04T14:44:18.225752Z",
"structure_string": "Rb12 Fe4 O12\n1.0\n7.016293 0.000000 0.000000\n0.000000 7.717171 0.000000\n0.000000 1.083187 11.126162\nRb Fe O\n12 4 12\ndirect\n0.318530 0.356725 0.073621 Rb\n0.628306 0.948632 0.152587 Rb\n0.809106 0.364162 0.194652 Rb\n0.309106 0.635838 0.305348 Rb\n0.128306 0.051368 0.347413 Rb\n0.818530 0.643275 0.426379 Rb\n0.181470 0.356725 0.573621 Rb\n0.871694 0.948632 0.652587 Rb\n0.690894 0.364162 0.694652 Rb\n0.190894 0.635838 0.805348 Rb\n0.371694 0.051368 0.847413 Rb\n0.681470 0.643275 0.926379 Rb\n0.081470 0.846133 0.063664 Fe\n0.581470 0.153867 0.436336 Fe\n0.418530 0.846133 0.563664 Fe\n0.918530 0.153867 0.936336 Fe\n0.328779 0.758551 0.040167 O\n0.048893 0.096597 0.093247 O\n0.944357 0.703686 0.178624 O\n0.444357 0.296314 0.321376 O\n0.548893 0.903403 0.406753 O\n0.828779 0.241449 0.459833 O\n0.171221 0.758551 0.540167 O\n0.451107 0.096597 0.593247 O\n0.555643 0.703686 0.678624 O\n0.055643 0.296314 0.821376 O\n0.951107 0.903403 0.906753 O\n0.671221 0.241449 0.959833 O\n",
"nsites": 28,
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"density_atomic": 0.04647793366561748,
"volume": 602.4364207205125,
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"formula_full": "Rb12 Fe4 O12",
"formula_reduced": "Rb3FeO3",
"formula_anonymous": "AB3C3",
"energy": -149.3535374,
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"spacegroup": 14
},
{
"id": "mp-861269",
"created_at": "2022-09-04T14:44:18.226949Z",
"structure_string": "Cd4 Pb2 O8\n1.0\n3.365264 0.000000 0.000000\n0.000000 5.751986 0.000000\n0.000000 0.000000 10.177537\nCd Pb O\n4 2 8\ndirect\n0.500000 0.560137 0.322829 Cd\n0.500000 0.939863 0.822829 Cd\n0.500000 0.060137 0.177171 Cd\n0.500000 0.439863 0.677171 Cd\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.646470 0.801270 O\n0.500000 0.746934 0.038501 O\n0.500000 0.753066 0.538501 O\n0.000000 0.853530 0.301270 O\n0.000000 0.146470 0.698730 O\n0.500000 0.246934 0.461499 O\n0.500000 0.253066 0.961499 O\n0.000000 0.353530 0.198730 O\n",
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],
"chemical_system": "Cd-O-Pb",
"density": 8.361771220718454,
"density_atomic": 0.07106379328163606,
"volume": 197.00608922628123,
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"formula_full": "Cd4 Pb2 O8",
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"formula_anonymous": "AB2C4",
"energy": -70.03356368,
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"spacegroup": 55
},
{
"id": "mp-1186912",
"created_at": "2022-09-04T14:44:18.251099Z",
"structure_string": "Rb3 Th1\n1.0\n6.265999 0.000000 0.000000\n0.000000 6.265999 0.000000\n0.000000 0.000000 6.265999\nRb Th\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Th\n",
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"elements": [
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"density": 3.2967852197477834,
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"formula_full": "Rb3 Th1",
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"energy": -6.18999094,
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"updated_at": "2021-11-28T01:36:30.041000Z",
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},
{
"id": "mp-1219624",
"created_at": "2022-09-04T14:44:18.207817Z",
"structure_string": "Rb2 Na4 Al6 Si6 O26\n1.0\n8.161903 0.000000 0.000000\n0.000000 5.229924 0.000000\n0.000000 5.239978 15.452561\nRb Na Al Si O\n2 4 6 6 26\ndirect\n0.563986 0.483253 0.236090 Rb\n0.436014 0.483253 0.736090 Rb\n0.820248 0.716811 0.999174 Na\n0.179752 0.716811 0.499174 Na\n0.835309 0.218708 0.500346 Na\n0.164691 0.218708 0.000346 Na\n0.596609 0.246510 0.000112 Al\n0.403391 0.246510 0.500112 Al\n0.899841 0.901281 0.354085 Al\n0.898015 0.610065 0.645809 Al\n0.101985 0.610065 0.145809 Al\n0.100159 0.901281 0.854085 Al\n0.615947 0.749414 0.499480 Si\n0.384053 0.749414 0.999480 Si\n0.883560 0.114034 0.142627 Si\n0.882251 0.399582 0.857235 Si\n0.117749 0.399582 0.357235 Si\n0.116440 0.114034 0.642627 Si\n0.715099 0.242872 0.091060 O\n0.715289 0.422549 0.909685 O\n0.284711 0.422549 0.409685 O\n0.284901 0.242872 0.591060 O\n0.723579 0.919107 0.414550 O\n0.723125 0.746504 0.584759 O\n0.276875 0.746504 0.084759 O\n0.276421 0.919107 0.914550 O\n0.554855 0.914051 0.000845 O\n0.445145 0.914051 0.500845 O\n0.846258 0.034963 0.245360 O\n0.847606 0.524886 0.754412 O\n0.152394 0.524886 0.254412 O\n0.153742 0.034963 0.745360 O\n0.970837 0.565453 0.388243 O\n0.971589 0.343752 0.611436 O\n0.028411 0.343752 0.111436 O\n0.029163 0.565453 0.888243 O\n0.942469 0.853950 0.114117 O\n0.944112 0.083874 0.886316 O\n0.055888 0.083874 0.386316 O\n0.057531 0.853950 0.614117 O\n0.580583 0.440112 0.499881 O\n0.419417 0.440112 0.999881 O\n0.564714 0.954270 0.764378 O\n0.435286 0.954270 0.264378 O\n",
"nsites": 44,
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],
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"density_atomic": 0.06670607737125582,
"volume": 659.6100645390363,
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"formula_full": "Rb2 Na4 Al6 Si6 O26",
"formula_reduced": "RbNa2Al3Si3O13",
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{
"id": "mp-1047807",
"created_at": "2022-09-04T14:44:18.207438Z",
"structure_string": "Cu8 W8 O32\n1.0\n9.034141 0.000000 0.000000\n0.000000 6.819776 0.000000\n0.000000 0.104443 12.127679\nCu W O\n8 8 32\ndirect\n0.114114 0.820681 0.891948 Cu\n0.040806 0.373983 0.609416 Cu\n0.959194 0.626017 0.390584 Cu\n0.885886 0.179319 0.108052 Cu\n0.385886 0.820681 0.391948 Cu\n0.459194 0.373983 0.109416 Cu\n0.614114 0.179319 0.608052 Cu\n0.540806 0.626017 0.890584 Cu\n0.441704 0.104767 0.877491 W\n0.058296 0.104767 0.377491 W\n0.101566 0.591964 0.138393 W\n0.941704 0.895233 0.622509 W\n0.898434 0.408036 0.861607 W\n0.601566 0.408036 0.361607 W\n0.398434 0.591964 0.638393 W\n0.558296 0.895233 0.122509 W\n0.254093 0.049591 0.376245 O\n0.989578 0.642598 0.582107 O\n0.633911 0.195997 0.451423 O\n0.133911 0.804003 0.048577 O\n0.245907 0.049591 0.876245 O\n0.745907 0.950409 0.623755 O\n0.066135 0.098759 0.570226 O\n0.926852 0.463548 0.113091 O\n0.573148 0.463548 0.613091 O\n0.889615 0.317689 0.719927 O\n0.389615 0.682311 0.780073 O\n0.073148 0.536452 0.886909 O\n0.933865 0.901241 0.429774 O\n0.505515 0.882440 0.265932 O\n0.253792 0.416325 0.619517 O\n0.246208 0.416325 0.119517 O\n0.005515 0.117560 0.234068 O\n0.426852 0.536452 0.386909 O\n0.494485 0.117560 0.734068 O\n0.366089 0.804003 0.548577 O\n0.510422 0.642598 0.082107 O\n0.110385 0.682311 0.280073 O\n0.754093 0.950409 0.123755 O\n0.433865 0.098759 0.070226 O\n0.866089 0.195997 0.951423 O\n0.753792 0.583675 0.880483 O\n0.010422 0.357402 0.417893 O\n0.489578 0.357402 0.917893 O\n0.566135 0.901241 0.929774 O\n0.746208 0.583675 0.380483 O\n0.610385 0.317689 0.219927 O\n0.994485 0.882440 0.765932 O\n",
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"formula_full": "Cu8 W8 O32",
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{
"id": "mp-765629",
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"structure_string": "Li5 Mn5 Co2 O12\n1.0\n4.449386 2.614592 0.000000\n-4.449386 2.614592 0.000000\n0.000000 1.551849 9.719477\nLi Mn Co O\n5 5 2 12\ndirect\n0.676468 0.846208 0.741760 Li\n0.153792 0.323532 0.258240 Li\n0.833219 0.657109 0.255898 Li\n0.342891 0.166781 0.744102 Li\n0.081334 0.918666 0.500000 Li\n0.486801 0.995794 0.257612 Mn\n0.004206 0.513199 0.742388 Mn\n0.922550 0.077450 0.000000 Mn\n0.418141 0.581859 0.500000 Mn\n0.582114 0.417886 0.000000 Mn\n0.745261 0.254739 0.500000 Co\n0.251126 0.748874 0.000000 Co\n0.752340 0.950529 0.387410 O\n0.542167 0.696596 0.115593 O\n0.833203 0.349169 0.129938 O\n0.364065 0.842912 0.624254 O\n0.979566 0.793279 0.866862 O\n0.694592 0.533145 0.611372 O\n0.303404 0.457833 0.884407 O\n0.049471 0.247660 0.612590 O\n0.650831 0.166797 0.870062 O\n0.157088 0.635935 0.375746 O\n0.466855 0.305408 0.388628 O\n0.206721 0.020434 0.133138 O\n",
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],
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"formula_full": "Li5 Mn5 Co2 O12",
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{
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"structure_string": "Na6 P2\n1.0\n2.485598 -4.305183 0.000000\n2.485598 4.305183 0.000000\n0.000000 0.000000 8.853183\nNa P\n6 2\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.579638 Na\n0.666667 0.333333 0.079638 Na\n0.666667 0.333333 0.420362 Na\n0.333333 0.666667 0.920362 Na\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n",
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{
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