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{
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"results": [
{
"id": "mp-768565",
"created_at": "2022-09-04T14:44:26.606112Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n9.132868 0.080072 0.025414\n0.032458 8.372267 0.047689\n3.785332 4.214376 6.283445\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.141641 0.733369 0.195313 Li\n0.144168 0.340506 0.929795 Li\n0.589579 0.788916 0.678481 Li\n0.861835 0.675896 0.058470 Li\n0.901028 0.943046 0.358714 Li\n0.870923 0.252551 0.810822 Li\n0.561073 0.858505 0.292016 Mn\n0.438016 0.145725 0.696595 Mn\n0.041715 0.341307 0.313880 V\n0.963324 0.650732 0.692715 V\n0.251026 0.052059 0.205792 P\n0.254089 0.453851 0.500248 P\n0.236122 0.746770 0.807872 P\n0.757650 0.257035 0.197279 P\n0.753040 0.534528 0.509997 P\n0.749361 0.961642 0.775345 P\n0.106451 0.851746 0.359816 O\n0.260385 0.146291 0.990005 O\n0.174616 0.178251 0.298643 O\n0.181408 0.476668 0.354744 O\n0.103677 0.454608 0.693324 O\n0.095971 0.786004 0.747328 O\n0.416436 0.035245 0.197579 O\n0.278658 0.249815 0.607880 O\n0.413145 0.614489 0.370154 O\n0.170696 0.527729 0.000502 O\n0.251485 0.871689 0.888956 O\n0.408628 0.774402 0.629439 O\n0.589955 0.200150 0.397509 O\n0.757604 0.132388 0.112743 O\n0.813326 0.475623 0.017647 O\n0.589275 0.384323 0.620281 O\n0.735822 0.742940 0.417209 O\n0.572745 0.973395 0.793310 O\n0.906157 0.216656 0.252126 O\n0.902613 0.537719 0.310316 O\n0.819976 0.496876 0.662297 O\n0.808302 0.839429 0.676780 O\n0.741677 0.869641 0.987468 O\n0.878606 0.169118 0.622790 O\n",
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"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
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"spacegroup": 1
},
{
"id": "mp-1183850",
"created_at": "2022-09-04T14:44:20.053338Z",
"structure_string": "Ce1 Bi3\n1.0\n-2.351017 2.351017 5.567204\n2.351017 -2.351017 5.567204\n2.351017 2.351017 -5.567204\nCe Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Bi-Ce",
"density": 10.348280268458119,
"density_atomic": 0.03249760274572558,
"volume": 123.08600210598985,
"volume_molar": 18.531030756698183,
"formula_full": "Ce1 Bi3",
"formula_reduced": "CeBi3",
"formula_anonymous": "AB3",
"energy": -19.36050488,
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"updated_at": "2021-11-28T01:36:31.837000Z",
"spacegroup": 139
},
{
"id": "mp-1224439",
"created_at": "2022-09-04T14:44:20.563374Z",
"structure_string": "Ho2 Ti12 Cu9 O36\n1.0\n-3.721574 -3.721574 3.721574\n0.000000 -7.427448 -7.427448\n7.427448 0.000000 7.427448\nHo Ti Cu O\n2 12 9 36\ndirect\n0.004574 0.000000 0.000000 Ho\n0.662093 0.666667 0.333333 Ho\n0.170241 0.652691 0.825062 Ti\n0.833333 0.333333 0.166667 Ti\n0.496426 0.013976 0.508271 Ti\n0.833333 0.333333 0.666667 Ti\n0.492923 0.000000 0.000000 Ti\n0.173744 0.666667 0.333333 Ti\n0.170241 0.172372 0.347309 Ti\n0.833333 0.833333 0.666667 Ti\n0.496426 0.494295 0.986024 Ti\n0.496426 0.491729 0.505705 Ti\n0.170241 0.174938 0.827628 Ti\n0.833333 0.833333 0.166667 Ti\n0.333333 0.333333 0.166667 Cu\n0.994845 0.996725 0.498544 Cu\n0.671822 0.669942 0.834789 Cu\n0.994845 0.501456 0.498181 Cu\n0.671822 0.165211 0.835152 Cu\n0.333333 0.833333 0.166667 Cu\n0.671822 0.164848 0.330058 Cu\n0.333333 0.833333 0.666667 Cu\n0.994845 0.501819 0.003275 Cu\n0.244517 0.063794 0.622232 O\n0.920021 0.744633 0.959565 O\n0.583745 0.410009 0.292138 O\n0.351358 0.526213 0.176433 O\n0.003240 0.185225 0.501855 O\n0.687179 0.860338 0.843309 O\n0.979487 0.806328 0.490025 O\n0.663427 0.481442 0.831478 O\n0.315309 0.140454 0.156900 O\n0.082922 0.256658 0.041195 O\n0.746645 0.922033 0.373769 O\n0.422150 0.602873 0.711101 O\n0.422150 0.288899 0.891772 O\n0.082922 0.958805 0.215462 O\n0.746645 0.626231 0.548265 O\n0.663427 0.168522 0.649964 O\n0.315309 0.843100 0.983553 O\n0.979487 0.509975 0.316304 O\n0.687179 0.156691 0.017030 O\n0.351358 0.823567 0.349780 O\n0.003240 0.498145 0.683369 O\n0.920021 0.040435 0.785069 O\n0.583745 0.707862 0.117871 O\n0.244517 0.377768 0.441561 O\n0.003240 0.316631 0.814775 O\n0.687179 0.982970 0.139662 O\n0.351358 0.650220 0.473787 O\n0.583745 0.882129 0.589991 O\n0.244517 0.558439 0.936206 O\n0.920021 0.214931 0.255367 O\n0.746645 0.451735 0.077967 O\n0.422150 0.108228 0.397127 O\n0.082922 0.784538 0.743342 O\n0.315309 0.016447 0.859546 O\n0.979487 0.683696 0.193672 O\n0.663427 0.350036 0.518558 O\n",
"nsites": 59,
"nelements": 4,
"elements": [
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"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-Ho-O-Ti",
"density": 5.532641571943712,
"density_atomic": 0.09579103330273504,
"volume": 615.9240376240458,
"volume_molar": 6.286747884812779,
"formula_full": "Ho2 Ti12 Cu9 O36",
"formula_reduced": "Ho2Ti12(CuO4)9",
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"energy": -479.3282903000001,
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"updated_at": "2021-11-28T01:36:28.633000Z",
"spacegroup": 147
},
{
"id": "mp-647805",
"created_at": "2022-09-04T14:44:19.765974Z",
"structure_string": "Ce21 Fe8 Bi7 C12\n1.0\n0.000000 8.059582 8.059582\n8.059582 0.000000 8.059582\n8.059582 8.059582 0.000000\nCe Fe Bi C\n21 8 7 12\ndirect\n0.657148 0.000000 0.342852 Ce\n0.000000 0.342852 0.000000 Ce\n0.657148 0.000000 0.000000 Ce\n0.638719 0.083843 0.638719 Ce\n0.000000 0.342852 0.657148 Ce\n0.000000 0.000000 0.342852 Ce\n0.361281 0.361281 0.361281 Ce\n0.916157 0.361281 0.361281 Ce\n0.000000 0.000000 0.657148 Ce\n0.342852 0.000000 0.657148 Ce\n0.000000 0.657148 0.342852 Ce\n0.342852 0.657148 0.000000 Ce\n0.000000 0.657148 0.000000 Ce\n0.342852 0.000000 0.000000 Ce\n0.361281 0.361281 0.916157 Ce\n0.638719 0.638719 0.083843 Ce\n0.361281 0.916157 0.361281 Ce\n0.657148 0.342852 0.000000 Ce\n0.638719 0.638719 0.638719 Ce\n0.083843 0.638719 0.638719 Ce\n0.500000 0.500000 0.500000 Ce\n0.193742 0.193742 0.418775 Fe\n0.581225 0.806258 0.806258 Fe\n0.806258 0.581225 0.806258 Fe\n0.193742 0.418775 0.193742 Fe\n0.806258 0.806258 0.806258 Fe\n0.193742 0.193742 0.193742 Fe\n0.418775 0.193742 0.193742 Fe\n0.806258 0.806258 0.581225 Fe\n0.291974 0.708026 0.708026 Bi\n0.708026 0.708026 0.291974 Bi\n0.708026 0.291974 0.291974 Bi\n0.291974 0.291974 0.708026 Bi\n0.708026 0.291974 0.708026 Bi\n0.291974 0.708026 0.291974 Bi\n0.000000 0.000000 0.000000 Bi\n0.895830 0.604170 0.604170 C\n0.895830 0.895830 0.604170 C\n0.395830 0.395830 0.104170 C\n0.104170 0.104170 0.395830 C\n0.395830 0.104170 0.104170 C\n0.604170 0.604170 0.895830 C\n0.604170 0.895830 0.604170 C\n0.895830 0.604170 0.895830 C\n0.604170 0.895830 0.895830 C\n0.104170 0.395830 0.395830 C\n0.395830 0.104170 0.395830 C\n0.104170 0.395830 0.104170 C\n",
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"elements": [
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],
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"density": 7.923558148656938,
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"volume": 1047.0503117407068,
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"formula_full": "Ce21 Fe8 Bi7 C12",
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"energy": -351.4601994,
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},
{
"id": "mp-553938",
"created_at": "2022-09-04T14:44:20.058143Z",
"structure_string": "K2 Gd2 W4 O16\n1.0\n5.150643 4.268199 0.000000\n-5.150643 4.268199 0.000000\n0.000000 0.026581 7.600257\nK Gd W O\n2 2 4 16\ndirect\n0.681653 0.318347 0.750000 K\n0.318347 0.681653 0.250000 K\n0.745866 0.254134 0.250000 Gd\n0.254134 0.745866 0.750000 Gd\n0.806892 0.808703 0.997713 W\n0.808703 0.806892 0.497713 W\n0.193108 0.191297 0.002287 W\n0.191297 0.193108 0.502287 W\n0.755502 0.884541 0.248726 O\n0.455611 0.208077 0.433647 O\n0.881939 0.122284 0.977549 O\n0.884541 0.755502 0.748726 O\n0.544389 0.791923 0.566353 O\n0.118061 0.877716 0.022451 O\n0.877716 0.118061 0.522451 O\n0.115459 0.244498 0.251274 O\n0.545874 0.808367 0.927377 O\n0.208077 0.455611 0.933647 O\n0.191633 0.454126 0.572623 O\n0.454126 0.191633 0.072623 O\n0.244498 0.115459 0.751274 O\n0.791923 0.544389 0.066353 O\n0.122284 0.881939 0.477549 O\n0.808367 0.545874 0.427377 O\n",
"nsites": 24,
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],
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"density": 6.877578453204399,
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"formula_full": "K2 Gd2 W4 O16",
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"spacegroup": 15
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{
"id": "mp-758061",
"created_at": "2022-09-04T14:44:22.665984Z",
"structure_string": "Co25 Cu11 O48\n1.0\n8.625504 4.962158 0.000000\n-8.625504 4.962158 0.000000\n0.000000 3.271075 9.371212\nCo Cu O\n25 11 48\ndirect\n0.146177 0.146177 0.062318 Co\n0.251030 0.417820 0.248693 Co\n0.084752 0.584706 0.249825 Co\n0.417820 0.251030 0.248693 Co\n0.251653 0.917295 0.250325 Co\n0.000781 0.666831 0.500283 Co\n0.332057 0.332057 0.499324 Co\n0.081411 0.081411 0.750177 Co\n0.583738 0.583738 0.250686 Co\n0.917437 0.750579 0.251730 Co\n0.584706 0.084752 0.249825 Co\n0.082901 0.583399 0.749947 Co\n0.750579 0.917437 0.251730 Co\n0.416186 0.248906 0.748957 Co\n0.248906 0.416186 0.748957 Co\n0.166721 0.501482 0.999236 Co\n0.666831 0.000781 0.500283 Co\n0.415483 0.750073 0.749314 Co\n0.917295 0.251653 0.250325 Co\n0.914535 0.748157 0.751003 Co\n0.748157 0.914535 0.751003 Co\n0.583399 0.082901 0.749947 Co\n0.750073 0.415483 0.749314 Co\n0.501482 0.166721 0.999236 Co\n0.832003 0.832003 0.001699 Co\n0.020808 0.020808 0.439577 Cu\n0.481279 0.813570 0.062296 Cu\n0.355208 0.687277 0.437075 Cu\n0.311697 0.978746 0.561728 Cu\n0.813570 0.481279 0.062296 Cu\n0.644679 0.644679 0.564133 Cu\n0.687277 0.355208 0.437075 Cu\n0.186990 0.854197 0.937756 Cu\n0.519489 0.519489 0.934795 Cu\n0.978746 0.311697 0.561728 Cu\n0.854197 0.186990 0.937756 Cu\n0.046645 0.859839 0.369874 O\n0.309214 0.122307 0.130703 O\n0.122307 0.309214 0.130703 O\n0.050861 0.383938 0.353385 O\n0.272012 0.605290 0.131309 O\n0.118383 0.785167 0.146399 O\n0.229119 0.229119 0.365455 O\n0.452482 0.452482 0.144296 O\n0.525031 0.377915 0.367681 O\n0.193182 0.711886 0.368747 O\n0.023091 0.875421 0.869462 O\n0.377915 0.525031 0.367681 O\n0.457190 0.975496 0.131514 O\n0.789877 0.641859 0.133883 O\n0.139434 0.286705 0.631771 O\n0.286705 0.139434 0.631771 O\n0.641859 0.789877 0.133883 O\n0.937331 0.937331 0.133725 O\n0.605290 0.272012 0.131309 O\n0.102851 0.770611 0.633470 O\n0.383938 0.050861 0.353385 O\n0.436080 0.436080 0.632566 O\n0.716898 0.716898 0.355707 O\n0.215182 0.215182 0.853146 O\n0.061901 0.396457 0.866981 O\n0.282988 0.617297 0.645588 O\n0.563325 0.897240 0.367817 O\n0.785167 0.118383 0.146399 O\n0.210760 0.692957 0.867688 O\n0.711886 0.193182 0.368747 O\n0.358128 0.544792 0.866868 O\n0.859839 0.046645 0.369874 O\n0.544792 0.358128 0.866868 O\n0.620644 0.807401 0.631413 O\n0.807401 0.620644 0.631413 O\n0.474248 0.956033 0.631334 O\n0.975496 0.457190 0.131514 O\n0.770611 0.102851 0.633470 O\n0.547835 0.881546 0.853923 O\n0.897240 0.563325 0.367817 O\n0.396457 0.061901 0.866981 O\n0.617297 0.282988 0.645588 O\n0.727252 0.727252 0.869078 O\n0.947862 0.947862 0.647362 O\n0.692957 0.210760 0.867688 O\n0.875421 0.023091 0.869462 O\n0.956033 0.474248 0.631334 O\n0.881546 0.547835 0.853923 O\n",
"nsites": 84,
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"density": 6.0864065526837265,
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"volume": 802.1966202183781,
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"formula_full": "Co25 Cu11 O48",
"formula_reduced": "Co25Cu11O48",
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"energy": -561.7803447,
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{
"id": "mp-1232351",
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"structure_string": "Sr1 Nb2 Ni1 Cl1 O7\n1.0\n3.941866 0.000000 0.000000\n0.000000 3.941866 0.000000\n0.000000 0.000000 11.989494\nSr Nb Ni Cl O\n1 2 1 1 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.809136 Nb\n0.000000 0.000000 0.190864 Nb\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Cl\n0.500000 0.000000 0.157163 O\n0.000000 0.000000 0.657339 O\n0.500000 0.000000 0.842837 O\n0.000000 0.000000 0.342661 O\n0.000000 0.500000 0.157163 O\n0.000000 0.500000 0.842837 O\n0.000000 0.000000 0.000000 O\n",
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],
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"volume": 186.2964452842261,
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"formula_full": "Sr1 Nb2 Ni1 Cl1 O7",
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{
"id": "mp-1184388",
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}