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{
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"results": [
{
"id": "mp-861565",
"created_at": "2022-09-04T14:40:03.257232Z",
"structure_string": "Mn7 O3 F9\n1.0\n6.319617 0.000000 0.000000\n0.068033 6.368234 0.000000\n0.100958 0.020424 6.471013\nMn O F\n7 3 9\ndirect\n0.932710 0.757357 0.436372 Mn\n0.756880 0.455867 0.082988 Mn\n0.563206 0.931098 0.733586 Mn\n0.428780 0.058628 0.238467 Mn\n0.259904 0.578216 0.943811 Mn\n0.047659 0.247564 0.575648 Mn\n0.013729 0.969440 0.975312 Mn\n0.972483 0.700067 0.105625 O\n0.888166 0.973358 0.680933 O\n0.316002 0.912991 0.957951 O\n0.826442 0.422420 0.401291 F\n0.716676 0.103964 0.057081 F\n0.593354 0.595387 0.832060 F\n0.588930 0.820069 0.402865 F\n0.425919 0.391814 0.162595 F\n0.383873 0.158394 0.566027 F\n0.153028 0.573052 0.620660 F\n0.090048 0.061234 0.300071 F\n0.050627 0.299023 0.919872 F\n",
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{
"id": "mp-757217",
"created_at": "2022-09-04T14:40:03.495986Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n-9.790965 0.000000 0.000000\n4.887430 8.492738 0.000000\n-0.034861 -0.095452 -13.994438\nLi V P O\n12 6 16 58\ndirect\n0.331277 0.095769 0.559598 Li\n0.658907 0.331885 0.888677 Li\n0.910329 0.679295 0.060977 Li\n0.770165 0.096632 0.061870 Li\n0.096977 0.760331 0.438682 Li\n0.902261 0.234630 0.563727 Li\n0.235948 0.903890 0.939728 Li\n0.233521 0.331688 0.438420 Li\n0.659952 0.896941 0.439854 Li\n0.668221 0.769889 0.938343 Li\n0.063317 0.073568 0.010795 Li\n0.958611 0.944007 0.507868 Li\n0.998358 0.563367 0.249708 V\n0.004090 0.436700 0.752343 V\n0.433960 0.999491 0.748437 V\n0.565871 0.998164 0.249125 V\n0.434011 0.433250 0.248873 V\n0.563944 0.561655 0.747510 V\n0.308323 0.221770 0.841402 P\n0.313964 0.086791 0.340289 P\n0.776743 0.694182 0.338686 P\n0.667694 0.332763 0.130004 P\n0.667144 0.330709 0.630175 P\n0.910035 0.685721 0.840109 P\n0.084255 0.772429 0.654792 P\n0.775926 0.094165 0.843160 P\n0.226190 0.911882 0.155670 P\n0.911847 0.228245 0.346373 P\n0.085705 0.307121 0.162653 P\n0.333204 0.667782 0.369511 P\n0.334994 0.670028 0.871056 P\n0.226925 0.309891 0.655600 P\n0.688321 0.911411 0.659800 P\n0.684634 0.769423 0.153792 P\n0.229195 0.226913 0.564299 O\n0.337136 0.254240 0.341967 O\n0.213744 0.987223 0.065590 O\n0.340506 0.080282 0.840570 O\n0.471512 0.374177 0.833270 O\n0.520499 0.325565 0.176414 O\n0.616797 0.541831 0.330772 O\n0.768417 0.770434 0.062386 O\n0.744881 0.667718 0.843120 O\n0.510350 0.185838 0.669280 O\n0.472212 0.090404 0.326633 O\n0.670459 0.478936 0.678912 O\n0.669903 0.333466 0.022117 O\n0.664913 0.327938 0.523903 O\n0.813857 0.489769 0.167461 O\n0.626252 0.108771 0.828673 O\n0.680040 0.188457 0.167539 O\n0.915535 0.660527 0.341061 O\n0.995048 0.791471 0.747646 O\n0.008836 0.787086 0.564656 O\n0.003777 0.768743 0.928451 O\n0.890278 0.519019 0.827324 O\n0.812777 0.322860 0.671505 O\n0.082020 0.742050 0.161479 O\n0.906319 0.380348 0.329871 O\n0.744400 0.082004 0.342756 O\n0.206153 0.002036 0.247611 O\n0.226484 0.997472 0.428902 O\n0.778663 0.995619 0.570127 O\n0.253368 0.917217 0.660640 O\n0.081921 0.616072 0.665347 O\n0.919177 0.258935 0.842107 O\n0.188502 0.677457 0.328333 O\n0.079062 0.459897 0.169538 O\n0.995755 0.200650 0.080526 O\n0.995631 0.230470 0.437601 O\n0.007428 0.207819 0.259510 O\n0.081021 0.330114 0.658758 O\n0.329932 0.816539 0.829754 O\n0.381412 0.911499 0.168336 O\n0.186453 0.524758 0.823285 O\n0.334080 0.672826 0.977204 O\n0.336654 0.679430 0.476380 O\n0.321399 0.510822 0.333158 O\n0.533876 0.917043 0.670450 O\n0.488948 0.810515 0.326783 O\n0.257358 0.341573 0.165949 O\n0.211551 0.197820 0.743120 O\n0.208712 0.211675 0.923355 O\n0.378212 0.469044 0.670702 O\n0.484410 0.669280 0.829635 O\n0.527901 0.620495 0.169883 O\n0.665866 0.917851 0.158745 O\n0.766691 0.002501 0.931817 O\n0.794492 0.002640 0.751793 O\n0.659043 0.744467 0.662905 O\n0.791264 0.802200 0.419957 O\n0.801925 0.790365 0.240469 O\n",
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"elements": [
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"V",
"P",
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],
"chemical_system": "Li-O-P-V",
"density": 2.586396865216683,
"density_atomic": 0.07906042424965695,
"volume": 1163.6669151873314,
"volume_molar": 7.617136914144664,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.5294704,
"energy_per_atom": -7.560102939130435,
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"updated_at": "2021-11-28T01:34:46.145000Z",
"spacegroup": 1
},
{
"id": "mp-1233346",
"created_at": "2022-09-04T14:40:03.304496Z",
"structure_string": "Mg1 Mn3 V1 Cr2 P6 O24\n1.0\n8.966411 -0.079226 0.174098\n4.525387 -7.487237 0.081785\n4.337544 -2.540735 -7.074515\nMg Mn V Cr P O\n1 3 1 2 6 24\ndirect\n0.248602 0.252498 0.253503 Mg\n0.043186 0.645703 0.658239 Mn\n0.439629 0.858971 0.851360 Mn\n0.891014 0.363688 0.363005 Mn\n0.607165 0.130134 0.131523 V\n0.018347 0.002566 0.982646 Cr\n0.485265 0.503804 0.507027 Cr\n0.273231 0.251931 0.540555 P\n0.276053 0.945178 0.241679 P\n0.255941 0.549711 0.946968 P\n0.734493 0.457617 0.050526 P\n0.741560 0.049703 0.749829 P\n0.721398 0.744219 0.473482 P\n0.102171 0.108405 0.304502 O\n0.093711 0.490922 0.102688 O\n0.102302 0.312431 0.491031 O\n0.256656 0.096568 0.736704 O\n0.438516 0.185809 0.374401 O\n0.293552 0.414048 0.546398 O\n0.254450 0.931969 0.081638 O\n0.303033 0.752800 0.400319 O\n0.567313 0.600220 0.981518 O\n0.291414 0.551204 0.752925 O\n0.776321 0.246991 0.064320 O\n0.584803 0.984376 0.835778 O\n0.435829 0.010254 0.181865 O\n0.221109 0.747235 0.935345 O\n0.680495 0.445458 0.256617 O\n0.428108 0.378606 0.015141 O\n0.688099 0.257685 0.607278 O\n0.773766 0.066754 0.908824 O\n0.685188 0.602240 0.448774 O\n0.545494 0.830553 0.612102 O\n0.749006 0.903877 0.270154 O\n0.896211 0.665599 0.516582 O\n0.911345 0.490410 0.925625 O\n0.927407 0.919864 0.663416 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "Cr-Mg-Mn-O-P-V",
"density": 3.1754975930605274,
"density_atomic": 0.07742384992111243,
"volume": 477.88891972821676,
"volume_molar": 7.778146870939628,
"formula_full": "Mg1 Mn3 V1 Cr2 P6 O24",
"formula_reduced": "MgMn3VCr2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -300.97757012,
"energy_per_atom": -8.134528922162161,
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"updated_at": "2021-11-28T01:34:47.109000Z",
"spacegroup": 1
},
{
"id": "mp-1191091",
"created_at": "2022-09-04T14:40:04.107250Z",
"structure_string": "Li2 Al2 Si4 O14\n1.0\n-5.065870 0.000000 0.000000\n-0.013188 -7.686544 0.000000\n0.084460 3.572269 8.008528\nLi Al Si O\n2 2 4 14\ndirect\n0.346707 0.121670 0.291616 Li\n0.844681 0.928552 0.716624 Li\n0.854972 0.937509 0.377614 Al\n0.333874 0.911044 0.893167 Al\n0.836191 0.098027 0.101106 Si\n0.813817 0.508173 0.105905 Si\n0.306881 0.495137 0.886576 Si\n0.354524 0.073898 0.614704 Si\n0.718478 0.050922 0.254051 O\n0.152764 0.047708 0.077602 O\n0.786250 0.324851 0.155679 O\n0.531938 0.542755 0.032047 O\n0.891231 0.694313 0.269182 O\n0.170808 0.041434 0.450216 O\n0.441714 0.473346 0.456754 O\n0.221229 0.969457 0.726214 O\n0.674214 0.974664 0.926433 O\n0.275717 0.670886 0.832830 O\n0.031135 0.449665 0.957475 O\n0.387394 0.302358 0.724490 O\n0.651052 0.987444 0.554601 O\n0.630029 0.571085 0.533916 O\n",
"nsites": 22,
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"elements": [
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"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.1522099705391615,
"density_atomic": 0.07054801915886634,
"volume": 311.8443332967072,
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"formula_full": "Li2 Al2 Si4 O14",
"formula_reduced": "LiAlSi2O7",
"formula_anonymous": "ABC2D7",
"energy": -160.33275562,
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"updated_at": "2021-11-28T01:34:50.484000Z",
"spacegroup": 1
},
{
"id": "mp-625964",
"created_at": "2022-09-04T14:40:03.352862Z",
"structure_string": "Ba2 H8 O12\n1.0\n5.249629 0.000000 0.000000\n2.074388 5.682658 0.000000\n0.458409 1.104058 8.607498\nBa H O\n2 8 12\ndirect\n0.842087 0.142562 0.213112 Ba\n0.156547 0.785100 0.790792 Ba\n0.347320 0.241930 0.946669 H\n0.245541 0.490143 0.359045 H\n0.720712 0.711962 0.271242 H\n0.665150 0.738688 0.561064 H\n0.844204 0.347069 0.847488 H\n0.563191 0.532872 0.533703 H\n0.412629 0.283111 0.491819 H\n0.644583 0.636228 0.030401 H\n0.272553 0.991805 0.412673 O\n0.845533 0.752999 0.061092 O\n0.816184 0.972132 0.540165 O\n0.196955 0.166386 0.945308 O\n0.402664 0.947917 0.276976 O\n0.902745 0.633181 0.224125 O\n0.625368 0.068915 0.646528 O\n0.040983 0.308566 0.805553 O\n0.423391 0.409939 0.408506 O\n0.492140 0.557377 0.041879 O\n0.632910 0.596686 0.615057 O\n0.565140 0.369514 0.935759 O\n",
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"elements": [
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"density": 3.069875114939308,
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"volume": 256.7775567944468,
"volume_molar": 7.028866322841151,
"formula_full": "Ba2 H8 O12",
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"energy": -119.5624186,
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"spacegroup": 1
},
{
"id": "mp-1216084",
"created_at": "2022-09-04T14:40:03.305500Z",
"structure_string": "Zn1 Cu7 C4 O20\n1.0\n0.046718 -0.005952 3.106101\n8.916303 0.007457 -1.122675\n-0.003386 12.330675 -0.012791\nZn Cu C O\n1 7 4 20\ndirect\n0.400857 0.726908 0.102664 Zn\n0.924592 0.996954 0.221829 Cu\n0.087179 0.499461 0.716313 Cu\n0.080053 0.002993 0.779923 Cu\n0.913100 0.499452 0.284968 Cu\n0.593728 0.767069 0.612582 Cu\n0.595885 0.268117 0.887026 Cu\n0.409499 0.231868 0.386867 Cu\n0.479027 0.771888 0.370718 C\n0.522942 0.730172 0.861908 C\n0.519660 0.229918 0.631879 C\n0.477776 0.270469 0.134819 C\n0.312554 0.632641 0.372590 O\n0.678556 0.870083 0.864753 O\n0.672231 0.370497 0.631148 O\n0.320478 0.130588 0.133787 O\n0.934382 0.869243 0.103183 O\n0.073652 0.633988 0.597041 O\n0.071846 0.135293 0.900475 O\n0.927731 0.365772 0.402391 O\n0.645843 0.835367 0.454667 O\n0.350574 0.664508 0.943185 O\n0.359378 0.164343 0.548954 O\n0.641964 0.335278 0.052201 O\n0.880858 0.607323 0.160369 O\n0.106063 0.888986 0.656237 O\n0.109845 0.387885 0.842252 O\n0.898421 0.110802 0.344862 O\n0.482065 0.844951 0.278193 O\n0.533544 0.656692 0.768515 O\n0.521383 0.156795 0.725222 O\n0.474336 0.343697 0.228477 O\n",
"nsites": 32,
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"elements": [
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"C",
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],
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"density": 4.262505457463034,
"density_atomic": 0.09352804045984968,
"volume": 342.14338120060546,
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"formula_full": "Zn1 Cu7 C4 O20",
"formula_reduced": "ZnCu7(CO5)4",
"formula_anonymous": "AB4C7D20",
"energy": -201.2727774,
"energy_per_atom": -6.28977429375,
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},
{
"id": "mp-677659",
"created_at": "2022-09-04T14:40:03.354747Z",
"structure_string": "Sr7 La7 Cu7 Ru7 O42\n1.0\n5.562907 0.000000 0.000000\n2.678944 4.888215 0.000000\n2.281669 1.350873 32.318708\nSr La Cu Ru O\n7 7 7 7 42\ndirect\n0.676041 0.677678 0.968420 Sr\n0.394566 0.393202 0.820425 Sr\n0.110456 0.111716 0.680130 Sr\n0.034343 0.035614 0.893741 Sr\n0.826888 0.826027 0.536215 Sr\n0.542340 0.540623 0.393452 Sr\n0.252714 0.254884 0.251736 Sr\n0.755053 0.758612 0.751911 La\n0.474424 0.475250 0.607781 La\n0.187626 0.188010 0.465750 La\n0.973320 0.964506 0.101528 La\n0.902961 0.905375 0.323012 La\n0.614492 0.607972 0.179359 La\n0.314535 0.328477 0.033419 La\n0.009533 0.987487 0.000744 Cu\n0.082593 0.071362 0.787056 Cu\n0.795392 0.792688 0.643995 Cu\n0.507173 0.510211 0.501021 Cu\n0.224537 0.223510 0.358264 Cu\n0.932045 0.935811 0.214878 Cu\n0.647047 0.637964 0.070978 Cu\n0.713442 0.714493 0.857760 Ru\n0.431645 0.432651 0.714203 Ru\n0.358334 0.356758 0.928514 Ru\n0.861660 0.860450 0.428927 Ru\n0.146890 0.146762 0.572224 Ru\n0.573683 0.577208 0.285700 Ru\n0.290083 0.285175 0.143348 Ru\n0.173692 0.710667 0.954576 O\n0.592764 0.477858 0.893019 O\n0.077669 0.513156 0.884669 O\n0.623371 0.208613 0.972909 O\n0.860982 0.454448 0.812684 O\n0.129792 0.245509 0.964507 O\n0.330090 0.172164 0.747369 O\n0.557112 0.994029 0.902082 O\n0.777640 0.239460 0.741716 O\n0.358667 0.898021 0.832370 O\n0.569308 0.174401 0.667679 O\n0.825374 0.945649 0.822119 O\n0.045228 0.883389 0.604598 O\n0.262042 0.702374 0.757140 O\n0.500554 0.942024 0.597710 O\n0.052610 0.616457 0.691490 O\n0.282513 0.886001 0.525350 O\n0.537100 0.663716 0.677860 O\n0.760869 0.598828 0.461594 O\n0.977725 0.411201 0.615268 O\n0.213482 0.657725 0.454719 O\n0.773112 0.327757 0.547952 O\n0.996627 0.601473 0.382121 O\n0.254925 0.372604 0.535371 O\n0.471715 0.314056 0.318313 O\n0.693477 0.127440 0.471802 O\n0.922072 0.374463 0.312299 O\n0.485613 0.041130 0.405480 O\n0.709922 0.310743 0.239100 O\n0.967238 0.088092 0.391968 O\n0.194119 0.025390 0.174836 O\n0.407034 0.843189 0.328681 O\n0.662716 0.088539 0.164344 O\n0.195830 0.757661 0.262528 O\n0.428368 0.034442 0.095710 O\n0.677083 0.798498 0.247326 O\n0.883618 0.761547 0.037938 O\n0.135997 0.546909 0.187019 O\n0.349540 0.799450 0.030940 O\n0.916175 0.473517 0.118926 O\n0.386908 0.536284 0.108423 O\n0.845515 0.280650 0.043008 O\n",
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