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{
"id": "mp-40066",
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"structure_string": "Ca2 La2 Mn2 Fe2 O12\n1.0\n-0.000004 5.488852 -0.002453\n0.000010 -0.002854 7.716622\n5.506555 -0.000004 0.000008\nCa La Mn Fe O\n2 2 2 2 12\ndirect\n0.509746 0.249883 0.536250 Ca\n0.009743 0.749878 0.963751 Ca\n0.993749 0.249969 0.026474 La\n0.493742 0.749965 0.473521 La\n0.499581 0.999407 0.000007 Mn\n0.999578 0.499408 0.499989 Mn\n0.999607 0.000715 0.500031 Fe\n0.499606 0.500713 0.999969 Fe\n0.579659 0.756395 0.013209 O\n0.079661 0.256396 0.486791 O\n0.222895 0.958791 0.213982 O\n0.722893 0.458791 0.286018 O\n0.212316 0.541656 0.222615 O\n0.712316 0.041657 0.277386 O\n0.928646 0.743776 0.516823 O\n0.428642 0.243776 0.983185 O\n0.271854 0.537959 0.718804 O\n0.771855 0.037962 0.781200 O\n0.281956 0.961452 0.726759 O\n0.781952 0.461450 0.773234 O\n",
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{
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},
{
"id": "mp-1210475",
"created_at": "2022-09-04T14:39:10.974596Z",
"structure_string": "Na8 Co4 Si4 O16\n1.0\n0.000000 0.000001 -5.381661\n0.000007 -12.258453 0.000005\n-6.300583 0.000004 0.000001\nNa Co Si O\n8 4 4 16\ndirect\n0.498277 0.415581 0.748076 Na\n0.498280 0.915586 0.748071 Na\n0.998273 0.084425 0.751931 Na\n0.998272 0.584410 0.751921 Na\n0.998275 0.084420 0.248063 Na\n0.998269 0.584420 0.248077 Na\n0.498266 0.415570 0.251931 Na\n0.498270 0.915582 0.251926 Na\n0.505638 0.678485 0.000002 Co\n0.005637 0.821516 0.500001 Co\n0.505632 0.178486 0.000001 Co\n0.005629 0.321514 0.500000 Co\n0.007626 0.328587 0.000002 Si\n0.007624 0.828594 0.999999 Si\n0.507630 0.171413 0.500001 Si\n0.507627 0.671409 0.500000 Si\n0.869823 0.208295 0.999999 O\n0.869825 0.708303 0.999996 O\n0.369826 0.291705 0.500002 O\n0.369825 0.791699 0.499999 O\n0.311646 0.313502 0.000000 O\n0.311642 0.813493 0.999998 O\n0.811647 0.186499 0.499999 O\n0.811642 0.686508 0.500001 O\n0.930603 0.398797 0.782134 O\n0.930621 0.898800 0.782134 O\n0.430603 0.101203 0.717868 O\n0.430620 0.601197 0.717869 O\n0.430604 0.101203 0.282132 O\n0.430622 0.601199 0.282132 O\n0.930604 0.398798 0.217866 O\n0.930620 0.898801 0.217867 O\n",
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"elements": [
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"volume": 415.65474311035064,
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"formula_full": "Na8 Co4 Si4 O16",
"formula_reduced": "Na2CoSiO4",
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{
"id": "mp-753909",
"created_at": "2022-09-04T14:48:30.040499Z",
"structure_string": "Li4 V4 C8 O24\n1.0\n-2.092950 0.002248 5.394507\n4.285554 4.380624 0.270898\n-8.573595 8.763202 -0.535521\nLi V C O\n4 4 8 24\ndirect\n0.750482 0.380811 0.189838 Li\n0.750599 0.380717 0.689823 Li\n0.249572 0.619153 0.310195 Li\n0.249396 0.619295 0.810151 Li\n0.750128 0.808890 0.904180 V\n0.249738 0.190977 0.595807 V\n0.750470 0.808787 0.404154 V\n0.249443 0.191307 0.095819 V\n0.722958 0.312291 0.440107 C\n0.722794 0.312455 0.940096 C\n0.222794 0.119885 0.343866 C\n0.222652 0.119932 0.843897 C\n0.777280 0.880149 0.156133 C\n0.777329 0.880059 0.656102 C\n0.277019 0.687754 0.059918 C\n0.277255 0.687513 0.559892 C\n0.717622 0.125807 0.395271 O\n0.717408 0.125927 0.895247 O\n0.217907 0.209110 0.437174 O\n0.217646 0.209312 0.937164 O\n0.782126 0.790878 0.062817 O\n0.782365 0.790709 0.562829 O\n0.282400 0.874263 0.104710 O\n0.282608 0.874049 0.604762 O\n0.889583 0.086390 0.162017 O\n0.889763 0.086315 0.661987 O\n0.390095 0.675970 0.456809 O\n0.389839 0.676042 0.956813 O\n0.609943 0.324029 0.043189 O\n0.610107 0.323922 0.543199 O\n0.110467 0.913603 0.337984 O\n0.110185 0.913678 0.838039 O\n0.837065 0.494557 0.378850 O\n0.836883 0.494706 0.878849 O\n0.335856 0.242824 0.252741 O\n0.335983 0.242710 0.752749 O\n0.664201 0.757172 0.247247 O\n0.663977 0.757253 0.747253 O\n0.162933 0.505504 0.121177 O\n0.163134 0.505297 0.621145 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Li4 V4 C8 O24",
"formula_reduced": "LiV(CO3)2",
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"energy": -320.75854455,
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"updated_at": "2021-11-28T01:39:43.275000Z",
"spacegroup": 15
},
{
"id": "mp-1283194",
"created_at": "2022-09-04T14:46:23.027940Z",
"structure_string": "Na2 Co4 O6\n1.0\n0.020657 -0.001072 5.187772\n5.101778 2.965024 0.019648\n-5.100682 2.963245 -0.020898\nNa Co O\n2 4 6\ndirect\n0.994580 0.327460 0.326633 Na\n0.494521 0.672743 0.673022 Na\n0.018607 0.010950 0.670710 Co\n0.507735 0.995004 0.325827 Co\n0.518639 0.329592 0.988888 Co\n0.007826 0.674425 0.005178 Co\n0.465975 0.276584 0.286005 O\n0.965600 0.713960 0.723281 O\n0.396501 0.047140 0.654464 O\n0.896335 0.345543 0.952127 O\n0.377651 0.672869 0.066645 O\n0.877827 0.933729 0.327220 O\n",
"nsites": 12,
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],
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"density": 3.9978760482387417,
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"volume": 156.88332389410033,
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"formula_full": "Na2 Co4 O6",
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"spacegroup": 9
},
{
"id": "mp-1099218",
"created_at": "2022-09-04T14:45:52.908937Z",
"structure_string": "Cs1 Mg14 B1 O16\n1.0\n4.656960 0.000000 0.000000\n0.000000 8.204254 0.000000\n0.000000 0.000000 9.081074\nCs Mg B O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.739691 0.000000 Mg\n0.500000 0.260309 0.000000 Mg\n0.500000 0.747686 0.500000 Mg\n0.500000 0.252314 0.500000 Mg\n0.500000 0.000000 0.738723 Mg\n0.500000 0.500000 0.753372 Mg\n0.500000 0.000000 0.261277 Mg\n0.500000 0.500000 0.246628 Mg\n0.000000 0.744626 0.729137 Mg\n0.000000 0.255374 0.729137 Mg\n0.000000 0.744626 0.270863 Mg\n0.000000 0.255374 0.270863 Mg\n0.000000 0.500000 0.000000 B\n0.000000 0.000000 0.714792 O\n0.000000 0.500000 0.728122 O\n0.000000 0.000000 0.285208 O\n0.000000 0.500000 0.271878 O\n0.500000 0.750742 0.754368 O\n0.500000 0.249258 0.754368 O\n0.500000 0.750742 0.245632 O\n0.500000 0.249258 0.245632 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.662162 0.000000 O\n0.000000 0.337838 0.000000 O\n0.000000 0.747326 0.500000 O\n0.000000 0.252674 0.500000 O\n",
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{
"id": "mp-1211078",
"created_at": "2022-09-04T14:45:21.852808Z",
"structure_string": "Tb12 Ge36 Rh60\n1.0\n0.000000 0.000000 -3.935618\n-11.378714 -19.708511 0.000000\n-11.378714 19.708511 0.000000\nTb Ge Rh\n12 36 60\ndirect\n0.750000 0.734571 0.770189 Tb\n0.250000 0.265429 0.229811 Tb\n0.750000 0.035619 0.265429 Tb\n0.250000 0.964381 0.734571 Tb\n0.750000 0.229811 0.964381 Tb\n0.250000 0.770189 0.035619 Tb\n0.750000 0.384156 0.524622 Tb\n0.250000 0.615844 0.475378 Tb\n0.750000 0.140466 0.615844 Tb\n0.250000 0.859534 0.384156 Tb\n0.750000 0.475378 0.859534 Tb\n0.250000 0.524622 0.140466 Tb\n0.750000 0.888949 0.062866 Ge\n0.250000 0.111051 0.937134 Ge\n0.750000 0.173917 0.111051 Ge\n0.250000 0.826083 0.888949 Ge\n0.750000 0.937134 0.826083 Ge\n0.250000 0.062866 0.173917 Ge\n0.750000 0.638394 0.165022 Ge\n0.250000 0.361606 0.834978 Ge\n0.750000 0.526629 0.361606 Ge\n0.250000 0.473371 0.638394 Ge\n0.750000 0.834978 0.473371 Ge\n0.250000 0.165022 0.526629 Ge\n0.750000 0.779071 0.266923 Ge\n0.250000 0.220929 0.733077 Ge\n0.750000 0.487852 0.220929 Ge\n0.250000 0.512148 0.779071 Ge\n0.750000 0.733077 0.512148 Ge\n0.250000 0.266923 0.487852 Ge\n0.750000 0.739405 0.124023 Ge\n0.250000 0.260595 0.875977 Ge\n0.750000 0.384618 0.260595 Ge\n0.250000 0.615382 0.739405 Ge\n0.750000 0.875977 0.615382 Ge\n0.250000 0.124023 0.384618 Ge\n0.750000 0.984376 0.414888 Ge\n0.250000 0.015624 0.585112 Ge\n0.750000 0.430512 0.015624 Ge\n0.250000 0.569488 0.984376 Ge\n0.750000 0.585112 0.569488 Ge\n0.250000 0.414888 0.430512 Ge\n0.750000 0.683174 0.917737 Ge\n0.250000 0.316826 0.082263 Ge\n0.750000 0.234563 0.316826 Ge\n0.250000 0.765437 0.683174 Ge\n0.750000 0.082263 0.765437 Ge\n0.250000 0.917737 0.234563 Ge\n0.750000 0.744601 0.353619 Rh\n0.250000 0.255399 0.646381 Rh\n0.750000 0.609018 0.255399 Rh\n0.250000 0.390982 0.744601 Rh\n0.750000 0.646381 0.390982 Rh\n0.250000 0.353619 0.609018 Rh\n0.750000 0.446808 0.696529 Rh\n0.250000 0.553192 0.303471 Rh\n0.750000 0.249721 0.553192 Rh\n0.250000 0.750279 0.446808 Rh\n0.750000 0.303471 0.750279 Rh\n0.250000 0.696529 0.249721 Rh\n0.750000 0.859839 0.154473 Rh\n0.250000 0.140161 0.845527 Rh\n0.750000 0.294634 0.140161 Rh\n0.250000 0.705366 0.859839 Rh\n0.750000 0.845527 0.705366 Rh\n0.250000 0.154473 0.294634 Rh\n0.750000 0.957778 0.506226 Rh\n0.250000 0.042222 0.493774 Rh\n0.750000 0.548448 0.042222 Rh\n0.250000 0.451552 0.957778 Rh\n0.750000 0.493774 0.451552 Rh\n0.250000 0.506226 0.548448 Rh\n0.750000 0.591574 0.798395 Rh\n0.250000 0.408426 0.201605 Rh\n0.750000 0.206820 0.408426 Rh\n0.250000 0.793180 0.591574 Rh\n0.750000 0.201605 0.793180 Rh\n0.250000 0.798395 0.206820 Rh\n0.750000 0.802185 0.943438 Rh\n0.250000 0.197815 0.056562 Rh\n0.750000 0.141253 0.197815 Rh\n0.250000 0.858747 0.802185 Rh\n0.750000 0.056562 0.858747 Rh\n0.250000 0.943438 0.141253 Rh\n0.750000 0.899553 0.294341 Rh\n0.250000 0.100447 0.705659 Rh\n0.750000 0.394788 0.100447 Rh\n0.250000 0.605212 0.899553 Rh\n0.750000 0.705659 0.605212 Rh\n0.250000 0.294341 0.394788 Rh\n0.750000 0.910924 0.917668 Rh\n0.250000 0.089076 0.082332 Rh\n0.750000 0.006744 0.089076 Rh\n0.250000 0.993256 0.910924 Rh\n0.750000 0.082332 0.993256 Rh\n0.250000 0.917668 0.006744 Rh\n0.750000 0.551688 0.657435 Rh\n0.250000 0.448312 0.342565 Rh\n0.750000 0.105747 0.448312 Rh\n0.250000 0.894253 0.551688 Rh\n0.750000 0.342565 0.894253 Rh\n0.250000 0.657435 0.105747 Rh\n0.750000 0.648324 0.004386 Rh\n0.250000 0.351676 0.995614 Rh\n0.750000 0.356063 0.351676 Rh\n0.250000 0.643937 0.648324 Rh\n0.750000 0.995614 0.643937 Rh\n0.250000 0.004386 0.356063 Rh\n",
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{
"id": "mp-769366",
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"structure_string": "Nd6 Sb2 O14\n1.0\n3.858860 -5.471379 0.000000\n3.858860 5.471379 0.000000\n0.000000 0.000000 7.770223\nNd Sb O\n6 2 14\ndirect\n0.500000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.532576 0.999287 0.750000 Nd\n0.999287 0.532576 0.250000 Nd\n0.467424 0.000713 0.250000 Nd\n0.000713 0.467424 0.750000 Nd\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.685805 0.931372 0.473121 O\n0.931372 0.685805 0.526879 O\n0.685805 0.931372 0.026879 O\n0.931372 0.685805 0.973121 O\n0.314195 0.068628 0.526879 O\n0.068628 0.314195 0.473121 O\n0.314195 0.068628 0.973121 O\n0.068628 0.314195 0.026879 O\n0.938369 0.061631 0.750000 O\n0.061631 0.938369 0.250000 O\n0.370241 0.629759 0.750000 O\n0.629759 0.370241 0.250000 O\n0.634806 0.365194 0.750000 O\n0.365194 0.634806 0.250000 O\n",
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