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{
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"results": [
{
"id": "mp-1154515",
"created_at": "2022-09-04T14:40:07.024198Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.597196 4.969247 0.000000\n-4.597196 4.969247 0.000000\n0.000000 1.501901 5.000099\nMg Ti Si O\n2 2 4 12\ndirect\n0.742496 0.257504 0.750000 Mg\n0.257504 0.742496 0.250000 Mg\n0.917778 0.082222 0.250000 Ti\n0.082222 0.917778 0.750000 Ti\n0.392410 0.208263 0.246007 Si\n0.791737 0.607590 0.253993 Si\n0.208263 0.392410 0.746007 Si\n0.607590 0.791737 0.753993 Si\n0.382646 0.317644 0.504877 O\n0.682356 0.617354 0.995123 O\n0.617354 0.682356 0.495123 O\n0.317644 0.382646 0.004877 O\n0.622684 0.143555 0.129869 O\n0.856445 0.377316 0.370131 O\n0.377316 0.856445 0.870131 O\n0.143555 0.622684 0.629869 O\n0.024536 0.230450 0.841135 O\n0.769550 0.975464 0.658865 O\n0.230450 0.024536 0.341135 O\n0.975464 0.769550 0.158865 O\n",
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{
"id": "mp-1190196",
"created_at": "2022-09-04T14:40:07.025159Z",
"structure_string": "Er2 Co1 Te2 S2 O14\n1.0\n5.273001 0.000000 0.000000\n0.610813 7.849680 0.000000\n2.363668 3.382621 7.032944\nEr Co Te S O\n2 1 2 2 14\ndirect\n0.917218 0.747258 0.983415 Er\n0.082782 0.252742 0.016585 Er\n0.000000 0.000000 0.500000 Co\n0.483842 0.725588 0.664077 Te\n0.516158 0.274412 0.335923 Te\n0.236142 0.755483 0.247304 S\n0.763858 0.244517 0.752696 S\n0.099817 0.594989 0.251168 O\n0.900183 0.405011 0.748832 O\n0.133874 0.772016 0.428634 O\n0.866126 0.227984 0.571366 O\n0.526285 0.730572 0.211418 O\n0.473715 0.269428 0.788582 O\n0.176398 0.926936 0.085920 O\n0.823602 0.073064 0.914080 O\n0.244171 0.560182 0.898205 O\n0.755829 0.439818 0.101795 O\n0.724832 0.806987 0.753325 O\n0.275168 0.193013 0.246675 O\n0.246845 0.921848 0.670524 O\n0.753155 0.078152 0.329476 O\n",
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"elements": [
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"density": 5.343630273122043,
"density_atomic": 0.07213936730415382,
"volume": 291.103190737172,
"volume_molar": 8.347925668116085,
"formula_full": "Er2 Co1 Te2 S2 O14",
"formula_reduced": "Er2CoTe2(SO7)2",
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"energy": -148.35164242,
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"updated_at": "2021-11-28T01:34:49.768000Z",
"spacegroup": 2
},
{
"id": "mp-1184343",
"created_at": "2022-09-04T14:40:07.028196Z",
"structure_string": "Fe8 Ni4 B4\n1.0\n-4.255721 4.255721 2.099905\n4.255721 -4.255721 2.099905\n4.255721 4.255721 -2.099905\nFe Ni B\n8 4 4\ndirect\n0.370847 0.984371 0.335861 Fe\n0.648510 0.034986 0.664139 Fe\n0.015629 0.351490 0.386476 Fe\n0.965014 0.629153 0.613524 Fe\n0.837057 0.646621 0.976792 Fe\n0.669829 0.860264 0.023208 Fe\n0.353379 0.330171 0.190435 Fe\n0.139736 0.162943 0.809565 Fe\n0.440741 0.046659 0.962558 Ni\n0.084101 0.478184 0.037442 Ni\n0.953341 0.915899 0.394083 Ni\n0.521816 0.559259 0.605917 Ni\n0.804253 0.474593 0.256266 B\n0.218327 0.547987 0.743734 B\n0.525407 0.781673 0.329660 B\n0.452013 0.195747 0.670340 B\n",
"nsites": 16,
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"elements": [
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"B"
],
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"density": 7.911301289947913,
"density_atomic": 0.1051753696125273,
"volume": 152.12687208939707,
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"formula_full": "Fe8 Ni4 B4",
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"spacegroup": 82
},
{
"id": "mp-768623",
"created_at": "2022-09-04T14:40:06.868485Z",
"structure_string": "Li6 Fe4 P4 C4 O28\n1.0\n-5.141896 0.000000 0.000000\n0.744004 8.351748 0.000000\n-0.014372 -0.203551 -12.967945\nLi Fe P C O\n6 4 4 4 28\ndirect\n0.224286 0.108697 0.376457 Li\n0.242419 0.100898 0.881790 Li\n0.752810 0.285815 0.770698 Li\n0.247190 0.714185 0.229302 Li\n0.775714 0.891303 0.623543 Li\n0.757581 0.899102 0.118210 Li\n0.197389 0.334443 0.620690 Fe\n0.199991 0.327983 0.124181 Fe\n0.802611 0.665557 0.379310 Fe\n0.800009 0.672017 0.875819 Fe\n0.275707 0.421346 0.371187 P\n0.270491 0.422638 0.873952 P\n0.724293 0.578654 0.628813 P\n0.729509 0.577362 0.126048 P\n0.292169 0.036453 0.130073 C\n0.300255 0.045521 0.627741 C\n0.699745 0.954479 0.372259 C\n0.707831 0.963547 0.869927 C\n0.054716 0.074943 0.622640 O\n0.049673 0.069587 0.125010 O\n0.615109 0.089683 0.374396 O\n0.633089 0.102674 0.856217 O\n0.464625 0.158353 0.120581 O\n0.465676 0.174768 0.633751 O\n0.166412 0.306032 0.784226 O\n0.207949 0.303804 0.279938 O\n0.196972 0.319207 0.466857 O\n0.225877 0.314402 0.969678 O\n0.864795 0.423166 0.637584 O\n0.872659 0.425283 0.120558 O\n0.571314 0.475581 0.372538 O\n0.569230 0.466903 0.857926 O\n0.428686 0.524419 0.627462 O\n0.430770 0.533097 0.142074 O\n0.135205 0.576834 0.362416 O\n0.127341 0.574717 0.879442 O\n0.803028 0.680793 0.533143 O\n0.792051 0.696196 0.720062 O\n0.774123 0.685598 0.030322 O\n0.833588 0.693968 0.215774 O\n0.534324 0.825232 0.366249 O\n0.535375 0.841647 0.879419 O\n0.384891 0.910317 0.625604 O\n0.366911 0.897326 0.143783 O\n0.945284 0.925057 0.377360 O\n0.950327 0.930413 0.874990 O\n",
"nsites": 46,
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"elements": [
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"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.638727555691242,
"density_atomic": 0.08260113248777415,
"volume": 556.8930911063295,
"volume_molar": 7.2906273541604785,
"formula_full": "Li6 Fe4 P4 C4 O28",
"formula_reduced": "Li3Fe2P2(CO7)2",
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"updated_at": "2021-11-28T01:34:50.802000Z",
"spacegroup": 2
},
{
"id": "mp-505302",
"created_at": "2022-09-04T14:40:06.873378Z",
"structure_string": "U10 Ge8\n1.0\n4.290447 -7.431272 0.000000\n4.290447 7.431272 0.000000\n0.000000 0.000000 5.818643\nU Ge\n10 8\ndirect\n0.333333 0.666667 0.000000 U\n0.666667 0.333333 0.500000 U\n0.666667 0.333333 0.000000 U\n0.333333 0.666667 0.500000 U\n0.292780 0.000000 0.250000 U\n0.292780 0.292780 0.750000 U\n0.000000 0.707220 0.750000 U\n0.000000 0.292780 0.250000 U\n0.707220 0.707220 0.250000 U\n0.707220 0.000000 0.750000 U\n0.630037 0.000000 0.250000 Ge\n0.630037 0.630037 0.750000 Ge\n0.000000 0.369963 0.750000 Ge\n0.000000 0.630037 0.250000 Ge\n0.369963 0.369963 0.250000 Ge\n0.369963 0.000000 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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"elements": [
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],
"chemical_system": "Ge-U",
"density": 13.25348519015251,
"density_atomic": 0.04851266112671183,
"volume": 371.0371598248384,
"volume_molar": 12.413544464754409,
"formula_full": "U10 Ge8",
"formula_reduced": "U5Ge4",
"formula_anonymous": "A4B5",
"energy": -153.24731226,
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"updated_at": "2021-11-28T01:34:47.711000Z",
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},
{
"id": "mp-1233943",
"created_at": "2022-09-04T14:40:06.986279Z",
"structure_string": "Mg1 V4 Sb2 P6 O24\n1.0\n9.496932 0.519685 0.052043\n5.221191 8.286743 0.165322\n4.982444 3.091362 7.092167\nMg V Sb P O\n1 4 2 6 24\ndirect\n0.606722 0.563940 0.666959 Mg\n0.144322 0.153029 0.158225 V\n0.350444 0.326731 0.338056 V\n0.728372 0.768335 0.696570 V\n0.849944 0.849769 0.853428 V\n0.973252 0.941290 0.017119 Sb\n0.473136 0.471672 0.450858 Sb\n0.067477 0.761826 0.420626 P\n0.440721 0.066444 0.756715 P\n0.748301 0.456266 0.025341 P\n0.226730 0.525546 0.972062 P\n0.538015 0.958497 0.267712 P\n0.967752 0.226174 0.546268 P\n0.124636 0.265928 0.502233 O\n0.304724 0.492417 0.102885 O\n0.154285 0.899908 0.256317 O\n0.529014 0.111235 0.288106 O\n0.996201 0.754299 0.621909 O\n0.228472 0.565256 0.423734 O\n0.280588 0.143926 0.902542 O\n0.431037 0.240750 0.555758 O\n0.127612 0.404760 0.056766 O\n0.564246 0.434427 0.208829 O\n0.073494 0.726303 0.946584 O\n0.395533 0.023386 0.191850 O\n0.635911 0.010019 0.742729 O\n0.905983 0.281768 0.078476 O\n0.377805 0.525817 0.778795 O\n0.746155 0.634860 0.984324 O\n0.549773 0.785149 0.444661 O\n0.735193 0.919284 0.097929 O\n0.785612 0.387948 0.551589 O\n0.006250 0.147110 0.419101 O\n0.436717 0.914736 0.752906 O\n0.937166 0.066660 0.756068 O\n0.718660 0.495939 0.850736 O\n0.911171 0.777169 0.393807 O\n",
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"formula_full": "Mg1 V4 Sb2 P6 O24",
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"energy": -289.91570779,
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"spacegroup": 1
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{
"id": "mp-759015",
"created_at": "2022-09-04T14:40:06.879487Z",
"structure_string": "Li5 Fe4 P4 O16 F1\n1.0\n-5.561327 5.561327 2.671934\n5.561327 -5.561327 2.671934\n5.561327 5.561327 -2.671934\nLi Fe P O F\n5 4 4 16 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.115125 0.443953 0.447756 Li\n0.332631 0.884875 0.328828 Li\n0.556047 0.003803 0.671172 Li\n0.996197 0.667369 0.552244 Li\n0.847690 0.126853 0.042335 Fe\n0.873147 0.915481 0.720837 Fe\n0.194645 0.152310 0.279163 Fe\n0.084519 0.805355 0.957665 Fe\n0.627370 0.788925 0.348141 P\n0.720771 0.372630 0.161555 P\n0.211075 0.559216 0.838445 P\n0.440784 0.279229 0.651859 P\n0.384113 0.505472 0.204134 O\n0.845554 0.037314 0.271147 O\n0.205821 0.674721 0.991295 O\n0.325279 0.316574 0.531100 O\n0.508341 0.832243 0.443263 O\n0.934922 0.491659 0.323901 O\n0.820021 0.615887 0.121359 O\n0.425593 0.154446 0.191760 O\n0.962686 0.233833 0.808240 O\n0.494528 0.698662 0.878641 O\n0.167757 0.611021 0.676099 O\n0.388979 0.065078 0.556737 O\n0.785474 0.794179 0.468900 O\n0.683426 0.214526 0.008705 O\n0.766167 0.574407 0.728853 O\n0.301338 0.179979 0.795866 O\n0.000000 0.000000 0.000000 F\n",
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"formula_full": "Li5 Fe4 P4 O16 F1",
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{
"id": "mp-1178346",
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"structure_string": "Eu4 Tm4 O12\n1.0\n6.017650 0.000000 0.000000\n0.000000 8.242911 0.000000\n0.000000 0.000000 5.804322\nEu Tm O\n4 4 12\ndirect\n0.052717 0.250000 0.990311 Eu\n0.447283 0.750000 0.490311 Eu\n0.552717 0.250000 0.509689 Eu\n0.947283 0.750000 0.009689 Eu\n0.000000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 Tm\n0.064938 0.750000 0.628012 O\n0.184804 0.565938 0.181351 O\n0.184804 0.934062 0.181351 O\n0.315196 0.065938 0.681351 O\n0.315196 0.434062 0.681351 O\n0.435062 0.250000 0.128012 O\n0.564938 0.750000 0.871988 O\n0.684804 0.934062 0.318649 O\n0.684804 0.565938 0.318649 O\n0.815196 0.065938 0.818649 O\n0.815196 0.434062 0.818649 O\n0.935062 0.250000 0.371988 O\n",
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{
"id": "mp-1184055",
"created_at": "2022-09-04T14:40:06.906262Z",
"structure_string": "Ga1 Fe1 Ru2\n1.0\n0.000000 3.002418 3.002418\n3.002418 0.000000 3.002418\n3.002418 3.002418 0.000000\nGa Fe Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"structure_string": "Li4 Mn2 Cr3 Co3 O16\n1.0\n2.887005 4.968135 0.000000\n-2.887005 4.968135 0.000000\n0.000000 0.026444 9.283696\nLi Mn Cr Co O\n4 2 3 3 16\ndirect\n0.331191 0.331191 0.105467 Li\n0.008546 0.008546 0.004923 Li\n0.007605 0.007605 0.502976 Li\n0.665166 0.665166 0.599657 Li\n0.330495 0.330495 0.513913 Mn\n0.665153 0.665153 0.017451 Mn\n0.659779 0.171562 0.788618 Cr\n0.171562 0.659779 0.788618 Cr\n0.831061 0.831061 0.291396 Cr\n0.170936 0.170936 0.786965 Co\n0.830933 0.341641 0.286296 Co\n0.341641 0.830933 0.286296 Co\n0.669804 0.162060 0.397852 O\n0.479341 0.479341 0.654336 O\n0.330198 0.330198 0.898034 O\n0.003975 0.003975 0.691313 O\n0.003931 0.003931 0.192614 O\n0.162060 0.669804 0.397852 O\n0.474435 0.039761 0.657448 O\n0.039761 0.474435 0.657448 O\n0.834675 0.834675 0.901433 O\n0.166913 0.166913 0.397264 O\n0.956736 0.521494 0.158881 O\n0.521494 0.956736 0.158881 O\n0.662854 0.662854 0.393117 O\n0.836267 0.334648 0.900625 O\n0.519788 0.519788 0.162875 O\n0.334648 0.836267 0.900625 O\n",
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"formula_full": "Li4 Mn2 Cr3 Co3 O16",
"formula_reduced": "Li4Mn2Cr3Co3O16",
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"spacegroup": 8
},
{
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"structure_string": "Ca2 Nd2 Nb3 Fe1 O14\n1.0\n3.772038 6.385571 0.000000\n-3.772038 6.385571 0.000000\n0.000000 4.166921 6.082041\nCa Nd Nb Fe O\n2 2 3 1 14\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Fe\n0.680532 0.680532 0.069493 O\n0.077023 0.077023 0.670635 O\n0.070211 0.679044 0.675916 O\n0.674548 0.069841 0.078113 O\n0.069841 0.674548 0.078113 O\n0.679044 0.070211 0.675916 O\n0.319468 0.319468 0.930507 O\n0.922977 0.922977 0.329365 O\n0.929789 0.320956 0.324084 O\n0.325452 0.930159 0.921887 O\n0.930159 0.325452 0.921887 O\n0.320956 0.929789 0.324084 O\n0.624814 0.624814 0.624543 O\n0.375186 0.375186 0.375457 O\n",
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],
"chemical_system": "Ca-Fe-Nb-Nd-O",
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"density_atomic": 0.07508748260845044,
"volume": 292.99157776697245,
"volume_molar": 8.020166012759976,
"formula_full": "Ca2 Nd2 Nb3 Fe1 O14",
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},
{
"id": "mp-548753",
"created_at": "2022-09-04T14:40:07.390722Z",
"structure_string": "V4 Co2 P4 O20\n1.0\n7.456424 0.000000 0.000000\n0.000000 7.361143 0.000000\n0.000000 3.682454 6.447120\nV Co P O\n4 2 4 20\ndirect\n0.775406 0.740501 0.462834 V\n0.724594 0.740501 0.962834 V\n0.275406 0.259499 0.037166 V\n0.224594 0.259499 0.537166 V\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.120401 0.748467 0.750128 P\n0.879599 0.251533 0.249872 P\n0.620401 0.251533 0.749872 P\n0.379599 0.748467 0.250128 P\n0.660809 0.769868 0.728698 O\n0.243805 0.558974 0.866486 O\n0.160809 0.230132 0.771302 O\n0.494491 0.727488 0.090255 O\n0.754428 0.056606 0.355339 O\n0.743805 0.441026 0.633514 O\n0.004779 0.219428 0.098288 O\n0.505509 0.272512 0.909745 O\n0.756195 0.441026 0.133514 O\n0.745572 0.056606 0.855339 O\n0.005509 0.727488 0.590255 O\n0.995221 0.780572 0.901712 O\n0.256195 0.558974 0.366486 O\n0.994491 0.272512 0.409745 O\n0.245572 0.943394 0.644661 O\n0.254428 0.943394 0.144661 O\n0.495221 0.219428 0.598288 O\n0.839191 0.769868 0.228698 O\n0.504779 0.780572 0.401712 O\n0.339191 0.230132 0.271302 O\n",
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"elements": [
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],
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"formula_full": "V4 Co2 P4 O20",
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}
]
}