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{
"id": "mp-753659",
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"structure_string": "Li8 Mn4 O8 F4\n1.0\n0.000028 -3.915386 -0.000168\n0.000351 -0.000168 -3.917786\n15.155318 -0.000107 -0.001326\nLi Mn O F\n8 4 8 4\ndirect\n0.500231 0.500392 0.003036 Li\n0.999904 0.499958 0.502961 Li\n0.499935 0.999963 0.163941 Li\n0.000004 0.999736 0.663828 Li\n0.499915 0.499981 0.313537 Li\n0.999958 0.500018 0.813404 Li\n0.999914 0.999978 0.353275 Li\n0.500016 0.999962 0.853158 Li\n0.499934 0.000010 0.502322 Mn\n0.999922 0.500018 0.163967 Mn\n0.000188 0.000373 0.002482 Mn\n0.500113 0.499555 0.664150 Mn\n0.999896 0.999944 0.486516 O\n0.500261 0.000435 0.986410 O\n0.499918 0.499968 0.180200 O\n0.000030 0.499714 0.680158 O\n0.000240 0.500408 0.016164 O\n0.499897 0.499926 0.516250 O\n0.999942 0.000058 0.150238 O\n0.499993 0.999648 0.650233 O\n0.999900 0.499985 0.319781 F\n0.499969 0.499973 0.819637 F\n0.499898 0.999976 0.347227 F\n0.000014 0.000019 0.847125 F\n",
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{
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"formula_full": "Sc2 Co2 C4",
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"updated_at": "2021-11-28T01:36:06.341000Z",
"spacegroup": 129
},
{
"id": "mp-1225690",
"created_at": "2022-09-04T14:43:10.651239Z",
"structure_string": "Er2 Fe6 Co6 P7\n1.0\n0.000000 0.000000 -3.607307\n-8.982424 0.000146 0.000000\n-4.491339 7.778988 0.000000\nEr Fe Co P\n2 6 6 7\ndirect\n0.500000 0.333418 0.333309 Er\n0.000000 0.666654 0.666641 Er\n0.500000 0.123182 0.780097 Fe\n0.500000 0.096696 0.123050 Fe\n0.500000 0.780184 0.096683 Fe\n0.500000 0.949883 0.616417 Fe\n0.500000 0.433605 0.949974 Fe\n0.500000 0.616361 0.433687 Fe\n0.000000 0.369688 0.568064 Co\n0.000000 0.062203 0.369746 Co\n0.000000 0.568157 0.062160 Co\n0.000000 0.880710 0.845517 Co\n0.000000 0.273799 0.880779 Co\n0.000000 0.845434 0.273848 Co\n0.000000 0.999998 0.999983 P\n0.500000 0.709309 0.887218 P\n0.500000 0.403506 0.709322 P\n0.500000 0.887192 0.403498 P\n0.000000 0.110656 0.591440 P\n0.000000 0.297945 0.110680 P\n0.000000 0.591421 0.297888 P\n",
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"formula_full": "Er2 Fe6 Co6 P7",
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{
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"created_at": "2022-09-04T14:43:10.657299Z",
"structure_string": "Li6 Cr3 Fe3 O12\n1.0\n5.114033 0.000000 0.000000\n1.691765 5.683129 0.000000\n1.694128 1.053326 7.573967\nLi Cr Fe O\n6 3 3 12\ndirect\n0.996577 0.667457 0.332980 Li\n0.498810 0.833833 0.167541 Li\n0.003804 0.332009 0.666784 Li\n0.999481 0.000747 0.000028 Li\n0.499918 0.499614 0.499320 Li\n0.501170 0.166425 0.833267 Li\n0.000009 0.835462 0.664450 Cr\n0.000040 0.165045 0.334944 Cr\n0.499762 0.330788 0.169302 Cr\n0.999943 0.500094 0.000084 Fe\n0.500123 0.669227 0.830815 Fe\n0.500171 0.999856 0.499877 Fe\n0.741088 0.686938 0.587307 O\n0.757445 0.482357 0.244488 O\n0.759239 0.821065 0.907969 O\n0.258474 0.651269 0.078162 O\n0.737776 0.015183 0.262605 O\n0.740834 0.346816 0.924711 O\n0.245762 0.852603 0.425978 O\n0.260244 0.987399 0.737425 O\n0.754460 0.147744 0.573691 O\n0.261643 0.311615 0.410638 O\n0.241185 0.516548 0.754912 O\n0.242044 0.179905 0.092721 O\n",
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"volume": 220.1275747514673,
"volume_molar": 5.523496834628159,
"formula_full": "Li6 Cr3 Fe3 O12",
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"spacegroup": 1
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{
"id": "mp-1097134",
"created_at": "2022-09-04T14:43:10.658600Z",
"structure_string": "La2 Cd1 Ag1\n1.0\n-5.849968 6.021407 8.404536\n5.849968 -6.021407 8.404536\n5.849968 6.021407 -8.404536\nLa Cd Ag\n2 1 1\ndirect\n0.000000 0.238918 0.238918 La\n0.000000 0.761082 0.761082 La\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "mp-1029899",
"created_at": "2022-09-04T14:43:10.662630Z",
"structure_string": "Ca10 Os4 N12\n1.0\n3.300767 5.027575 0.000000\n-3.300767 5.027575 0.000000\n0.000000 2.891440 12.277164\nCa Os N\n10 4 12\ndirect\n0.385352 0.614648 0.750000 Ca\n0.614648 0.385352 0.250000 Ca\n0.677719 0.189403 0.001981 Ca\n0.810597 0.322281 0.498019 Ca\n0.322281 0.810597 0.998019 Ca\n0.189403 0.677719 0.501981 Ca\n0.731667 0.949636 0.717212 Ca\n0.050364 0.268333 0.782788 Ca\n0.268333 0.050364 0.282788 Ca\n0.949636 0.731667 0.217212 Ca\n0.319029 0.142715 0.557500 Os\n0.857285 0.680971 0.942500 Os\n0.680971 0.857285 0.442500 Os\n0.142715 0.319029 0.057500 Os\n0.398410 0.319988 0.643449 N\n0.680012 0.601590 0.856551 N\n0.601590 0.680012 0.356551 N\n0.319988 0.398410 0.143449 N\n0.705222 0.716091 0.588127 N\n0.283909 0.294778 0.911873 N\n0.294778 0.283909 0.411873 N\n0.716091 0.705222 0.088127 N\n0.089969 0.004882 0.626434 N\n0.995118 0.910031 0.873566 N\n0.910031 0.995118 0.373566 N\n0.004882 0.089969 0.126434 N\n",
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"formula_full": "Ca10 Os4 N12",
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{
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"structure_string": "Te4 Pd6\n1.0\n1.960917 -6.419066 0.000000\n1.960917 6.419066 0.000000\n0.000000 0.000000 8.063748\nTe Pd\n4 6\ndirect\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.742358 0.257642 0.250000 Te\n0.257642 0.742358 0.750000 Te\n0.534864 0.465136 0.250000 Pd\n0.465136 0.534864 0.750000 Pd\n0.662248 0.337752 0.566449 Pd\n0.337752 0.662248 0.433551 Pd\n0.662248 0.337752 0.933551 Pd\n0.337752 0.662248 0.066449 Pd\n",
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{
"id": "mp-778466",
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"structure_string": "Li8 V6 O2 F22\n1.0\n-5.252731 0.000000 0.000000\n0.129285 5.458666 0.000000\n-0.036049 -2.695227 -15.954800\nLi V O F\n8 6 2 22\ndirect\n0.675359 0.195954 0.842740 Li\n0.465708 0.232147 0.567617 Li\n0.032374 0.041827 0.214881 Li\n0.514355 0.145606 0.107615 Li\n0.197709 0.643553 0.819094 Li\n0.011313 0.703661 0.563735 Li\n0.538229 0.785126 0.450503 Li\n0.978602 0.578399 0.096272 Li\n0.985906 0.300079 0.663479 V\n0.505033 0.170745 0.335629 V\n0.484517 0.499548 0.000965 V\n0.015756 0.020589 0.998685 V\n0.518745 0.837757 0.667017 V\n0.004789 0.660052 0.331766 V\n0.812733 0.993882 0.628678 O\n0.195074 0.324034 0.034400 O\n0.686971 0.179164 0.964831 F\n0.331800 0.162550 0.685980 F\n0.863730 0.029367 0.115931 F\n0.590970 0.162681 0.450201 F\n0.915878 0.373543 0.782452 F\n0.380090 0.151819 0.222857 F\n0.421076 0.471309 0.881245 F\n0.127042 0.344162 0.554193 F\n0.841693 0.326562 0.299579 F\n0.685383 0.499453 0.626039 F\n0.822809 0.683235 0.987034 F\n0.339732 0.501308 0.365278 F\n0.189110 0.649675 0.693790 F\n0.633385 0.494481 0.113920 F\n0.880055 0.675353 0.444643 F\n0.587611 0.873482 0.784370 F\n0.096194 0.943423 0.883200 F\n0.089636 0.681507 0.217747 F\n0.361089 0.815482 0.549614 F\n0.682411 0.850940 0.310519 F\n0.315664 0.837092 0.043620 F\n0.181274 0.984240 0.360650 F\n",
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"formula_full": "Li8 V6 O2 F22",
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{
"id": "mp-1040324",
"created_at": "2022-09-04T14:43:10.605504Z",
"structure_string": "K1 La1 Mg30 O32\n1.0\n8.692340 0.000000 0.000000\n0.000000 8.692340 0.000000\n0.000000 0.000000 8.684266\nK La Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.241840 0.241840 0.000000 Mg\n0.758160 0.241840 0.000000 Mg\n0.241840 0.758160 0.000000 Mg\n0.758160 0.758160 0.000000 Mg\n0.248239 0.248239 0.500000 Mg\n0.751761 0.248239 0.500000 Mg\n0.248239 0.751761 0.500000 Mg\n0.751761 0.751761 0.500000 Mg\n0.250109 0.000000 0.252223 Mg\n0.749891 0.000000 0.252223 Mg\n0.240515 0.500000 0.258384 Mg\n0.759485 0.500000 0.258384 Mg\n0.250109 0.000000 0.747777 Mg\n0.749891 0.000000 0.747777 Mg\n0.240515 0.500000 0.741616 Mg\n0.759485 0.500000 0.741616 Mg\n0.000000 0.250109 0.252223 Mg\n0.500000 0.240515 0.258384 Mg\n0.000000 0.749891 0.252223 Mg\n0.500000 0.759485 0.258384 Mg\n0.000000 0.250109 0.747777 Mg\n0.500000 0.240515 0.741616 Mg\n0.000000 0.749891 0.747777 Mg\n0.500000 0.759485 0.741616 Mg\n0.000000 0.000000 0.273623 O\n0.500000 0.000000 0.257549 O\n0.000000 0.500000 0.257549 O\n0.500000 0.500000 0.268397 O\n0.000000 0.000000 0.726377 O\n0.500000 0.000000 0.742451 O\n0.000000 0.500000 0.742451 O\n0.500000 0.500000 0.731603 O\n0.250911 0.250911 0.249310 O\n0.749089 0.250911 0.249310 O\n0.250911 0.749089 0.249310 O\n0.749089 0.749089 0.249310 O\n0.250911 0.250911 0.750690 O\n0.749089 0.250911 0.750690 O\n0.250911 0.749089 0.750690 O\n0.749089 0.749089 0.750690 O\n0.271786 0.000000 0.000000 O\n0.728214 0.000000 0.000000 O\n0.235163 0.500000 0.000000 O\n0.764837 0.500000 0.000000 O\n0.254357 0.000000 0.500000 O\n0.745643 0.000000 0.500000 O\n0.248330 0.500000 0.500000 O\n0.751670 0.500000 0.500000 O\n0.000000 0.271786 0.000000 O\n0.500000 0.235163 0.000000 O\n0.000000 0.728214 0.000000 O\n0.500000 0.764837 0.000000 O\n0.000000 0.254357 0.500000 O\n0.500000 0.248330 0.500000 O\n0.000000 0.745643 0.500000 O\n0.500000 0.751670 0.500000 O\n",
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"formula_full": "K1 La1 Mg30 O32",
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{
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"structure_string": "Sm1 Cd2\n1.0\n2.525184 -4.373747 0.000000\n2.525184 4.373747 0.000000\n0.000000 0.000000 3.476545\nSm Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
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},
{
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"structure_string": "Na8 Fe4 Sn4 P12 O48\n1.0\n7.652470 -0.056513 4.699954\n2.597412 7.202241 4.705040\n-0.167111 -0.103723 17.975313\nNa Fe Sn P O\n8 4 4 12 48\ndirect\n0.492403 0.510700 0.250307 Na\n0.622828 0.250331 0.438262 Na\n0.883354 0.629907 0.124490 Na\n0.009623 0.998373 0.493723 Na\n0.499376 0.498997 0.750854 Na\n0.245700 0.882434 0.816601 Na\n0.629246 0.245111 0.943431 Na\n0.879006 0.620816 0.624577 Na\n0.643804 0.657088 0.323766 Fe\n0.860125 0.849937 0.419896 Fe\n0.650826 0.651393 0.827492 Fe\n0.847837 0.850996 0.927896 Fe\n0.140827 0.137694 0.071867 Sn\n0.355912 0.352948 0.178883 Sn\n0.143061 0.145094 0.570765 Sn\n0.356096 0.357489 0.677924 Sn\n0.039242 0.747138 0.229684 P\n0.462902 0.040513 0.375361 P\n0.749976 0.459761 0.021143 P\n0.250342 0.545190 0.477309 P\n0.538199 0.955554 0.126271 P\n0.039719 0.751050 0.730437 P\n0.958558 0.247582 0.271160 P\n0.460382 0.041099 0.875231 P\n0.749782 0.462165 0.518984 P\n0.249756 0.538984 0.978865 P\n0.542758 0.956882 0.625121 P\n0.956354 0.249821 0.770909 P\n0.123429 0.283000 0.257583 O\n0.278524 0.512498 0.063249 O\n0.059322 0.915025 0.140864 O\n0.514120 0.126907 0.138031 O\n0.006588 0.783659 0.312682 O\n0.223417 0.579623 0.220301 O\n0.277168 0.060029 0.458839 O\n0.440772 0.223282 0.291620 O\n0.580499 0.440398 0.111957 O\n0.222912 0.372983 0.492484 O\n0.077120 0.719478 0.470488 O\n0.370753 0.986154 0.110187 O\n0.620612 0.014960 0.397250 O\n0.127318 0.277997 0.756067 O\n0.916987 0.281418 0.030408 O\n0.787149 0.624369 0.005893 O\n0.422888 0.559966 0.390238 O\n0.277284 0.514847 0.563699 O\n0.568563 0.775406 0.209071 O\n0.060162 0.917754 0.637995 O\n0.512416 0.127473 0.639711 O\n0.715215 0.933484 0.040266 O\n0.011277 0.791847 0.810560 O\n0.778293 0.417877 0.281716 O\n0.223694 0.583199 0.719821 O\n0.987936 0.221524 0.185528 O\n0.281266 0.060620 0.957959 O\n0.494918 0.877233 0.355843 O\n0.930745 0.081961 0.362042 O\n0.440792 0.224358 0.790205 O\n0.707272 0.488923 0.439532 O\n0.582719 0.440221 0.611839 O\n0.225998 0.366526 0.993472 O\n0.080522 0.715175 0.966521 O\n0.879028 0.704486 0.243980 O\n0.371509 0.986661 0.611211 O\n0.624986 0.012732 0.892934 O\n0.916555 0.276690 0.529750 O\n0.791242 0.621472 0.506255 O\n0.420838 0.562697 0.889047 O\n0.562703 0.777928 0.710378 O\n0.721556 0.935755 0.541269 O\n0.777986 0.420602 0.781688 O\n0.985269 0.227158 0.683941 O\n0.490068 0.880638 0.852948 O\n0.933769 0.080195 0.858088 O\n0.707768 0.489147 0.940037 O\n0.880079 0.708216 0.743546 O\n",
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"formula_full": "Na8 Fe4 Sn4 P12 O48",
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},
{
"id": "mp-21489",
"created_at": "2022-09-04T14:43:10.614780Z",
"structure_string": "Rb4 Pb2 O6\n1.0\n3.776057 -5.542831 0.000000\n3.776057 5.542831 0.000000\n0.000000 0.000000 6.140730\nRb Pb O\n4 2 6\ndirect\n0.518509 0.191379 0.740956 Rb\n0.808621 0.481491 0.240956 Rb\n0.481491 0.808621 0.240956 Rb\n0.191379 0.518509 0.740956 Rb\n0.093344 0.093344 0.261463 Pb\n0.906656 0.906656 0.761463 Pb\n0.363735 0.363735 0.306627 O\n0.636265 0.636265 0.806627 O\n0.143584 0.883442 0.004999 O\n0.856416 0.116558 0.504999 O\n0.883442 0.143584 0.004999 O\n0.116558 0.856416 0.504999 O\n",
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],
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"volume": 257.0515202585309,
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"formula_full": "Rb4 Pb2 O6",
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}
]
}