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{
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"results": [
{
"id": "mp-20886",
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"structure_string": "Ce4 Zn4 Sn4\n1.0\n2.298128 -3.980475 0.000000\n2.298128 3.980475 0.000000\n0.000000 0.000000 16.515761\nCe Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Ce\n0.000000 0.000000 0.250000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.844617 Zn\n0.666667 0.333333 0.655383 Zn\n0.333333 0.666667 0.155383 Zn\n0.333333 0.666667 0.344617 Zn\n0.666667 0.333333 0.116537 Sn\n0.666667 0.333333 0.383463 Sn\n0.333333 0.666667 0.883463 Sn\n0.333333 0.666667 0.616537 Sn\n",
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{
"id": "mp-1209565",
"created_at": "2022-09-04T14:46:12.110698Z",
"structure_string": "Rb4 Sm8 Br20\n1.0\n7.308492 0.000000 0.000000\n0.000000 10.272541 0.000000\n0.000000 1.123580 14.126647\nRb Sm Br\n4 8 20\ndirect\n0.085108 0.498868 0.338828 Rb\n0.914892 0.501132 0.661172 Rb\n0.585108 0.501132 0.161172 Rb\n0.414892 0.498868 0.838828 Rb\n0.117624 0.990141 0.347410 Sm\n0.882376 0.009859 0.652590 Sm\n0.617624 0.009859 0.152590 Sm\n0.382376 0.990141 0.847410 Sm\n0.024719 0.170914 0.989411 Sm\n0.975281 0.829086 0.010589 Sm\n0.524719 0.829086 0.510589 Sm\n0.475281 0.170914 0.489411 Sm\n0.158600 0.582445 0.084883 Br\n0.841400 0.417555 0.915117 Br\n0.658600 0.417555 0.415117 Br\n0.341400 0.582445 0.584883 Br\n0.858494 0.231553 0.169942 Br\n0.141506 0.768447 0.830058 Br\n0.358494 0.768447 0.330058 Br\n0.641506 0.231553 0.669942 Br\n0.334179 0.220035 0.284413 Br\n0.665821 0.779965 0.715587 Br\n0.834179 0.779965 0.215587 Br\n0.165821 0.220035 0.784413 Br\n0.442374 0.192435 0.993145 Br\n0.557626 0.807565 0.006855 Br\n0.942374 0.807565 0.506855 Br\n0.057626 0.192435 0.493145 Br\n0.700696 0.024592 0.361111 Br\n0.299304 0.975408 0.638889 Br\n0.200696 0.975408 0.138889 Br\n0.799304 0.024592 0.861111 Br\n",
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],
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"volume": 1060.5832214819634,
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"formula_full": "Rb4 Sm8 Br20",
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"energy": -137.06495454,
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"spacegroup": 14
},
{
"id": "mp-27007",
"created_at": "2022-09-04T14:46:12.133543Z",
"structure_string": "Li2 Fe4 P6 O20\n1.0\n8.701299 0.000000 0.000000\n0.000000 4.703667 0.000000\n0.000000 1.022392 9.040548\nLi Fe P O\n2 4 6 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.068576 0.033534 0.666217 Fe\n0.431424 0.033534 0.666217 Fe\n0.931424 0.966466 0.333783 Fe\n0.568576 0.966466 0.333783 Fe\n0.250000 0.331946 0.176719 P\n0.750000 0.398414 0.534715 P\n0.250000 0.601586 0.465285 P\n0.250000 0.458787 0.857640 P\n0.750000 0.668054 0.823281 P\n0.750000 0.541213 0.142360 P\n0.602981 0.716241 0.157083 O\n0.397019 0.283759 0.842917 O\n0.398315 0.163538 0.183689 O\n0.250000 0.564414 0.290113 O\n0.250000 0.550101 0.026663 O\n0.750000 0.449899 0.973337 O\n0.750000 0.248311 0.234476 O\n0.750000 0.696567 0.448557 O\n0.750000 0.435586 0.709887 O\n0.250000 0.303433 0.551443 O\n0.250000 0.751689 0.765524 O\n0.897019 0.716241 0.157083 O\n0.898315 0.836462 0.816311 O\n0.602069 0.228394 0.512701 O\n0.101685 0.163538 0.183689 O\n0.102981 0.283759 0.842917 O\n0.897931 0.228394 0.512701 O\n0.397931 0.771606 0.487299 O\n0.601685 0.836462 0.816311 O\n0.102069 0.771606 0.487299 O\n",
"nsites": 32,
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"elements": [
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"P",
"O"
],
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"density": 3.3348522767158904,
"density_atomic": 0.08648375973756249,
"volume": 370.0116657405383,
"volume_molar": 6.963319793536223,
"formula_full": "Li2 Fe4 P6 O20",
"formula_reduced": "LiFe2P3O10",
"formula_anonymous": "AB2C3D10",
"energy": -248.49104955,
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"updated_at": "2021-11-28T01:37:28.720000Z",
"spacegroup": 11
},
{
"id": "mp-1245057",
"created_at": "2022-09-04T14:46:12.150649Z",
"structure_string": "B40 O60\n1.0\n10.742200 0.216228 0.155865\n0.226305 11.433083 0.412689\n0.166930 0.402794 11.375581\nB O\n40 60\ndirect\n0.719483 0.529887 0.661891 B\n0.693812 0.632115 0.159447 B\n0.778775 0.433119 0.229662 B\n0.210541 0.625918 0.363722 B\n0.560673 0.194605 0.568557 B\n0.723035 0.720881 0.567639 B\n0.494689 0.764828 0.542791 B\n0.827975 0.812875 0.382137 B\n0.235802 0.450001 0.248672 B\n0.451483 0.359227 0.220486 B\n0.330610 0.767528 0.040767 B\n0.813858 0.233716 0.296799 B\n0.793726 0.005707 0.800766 B\n0.388704 0.847463 0.376586 B\n0.804812 0.626931 0.973088 B\n0.823938 0.032733 0.413593 B\n0.492869 0.081058 0.167213 B\n0.332293 0.994475 0.751511 B\n0.210170 0.251576 0.198447 B\n0.567373 0.033899 0.747013 B\n0.569249 0.420403 0.553328 B\n0.928616 0.310889 0.125176 B\n0.401664 0.567106 0.509521 B\n0.135688 0.335458 0.737184 B\n0.902290 0.337047 0.588202 B\n0.046392 0.991420 0.517135 B\n0.002250 0.584107 0.874570 B\n0.302813 0.437386 0.936791 B\n0.692710 0.460701 0.878581 B\n0.182340 0.533146 0.779378 B\n0.532472 0.373309 0.012443 B\n0.976050 0.851720 0.218068 B\n0.902090 0.915027 0.997634 B\n0.920424 0.108935 0.614644 B\n0.285089 0.840945 0.902208 B\n0.159833 0.852665 0.351402 B\n0.490664 0.177881 0.359946 B\n0.078687 0.365826 0.951036 B\n0.478008 0.740201 0.206108 B\n0.170667 0.137247 0.650956 B\n0.497791 0.089084 0.282684 O\n0.906349 0.662314 0.904520 O\n0.069039 0.069079 0.610084 O\n0.755036 0.644489 0.661511 O\n0.455544 0.652870 0.567440 O\n0.583708 0.694457 0.157423 O\n0.805438 0.732442 0.472031 O\n0.860903 0.060753 0.713947 O\n0.584237 0.127616 0.670533 O\n0.015316 0.290705 0.042442 O\n0.657038 0.502373 0.563573 O\n0.414337 0.851822 0.494514 O\n0.603871 0.304537 0.565527 O\n0.914899 0.029243 0.507730 O\n0.403062 0.795249 0.937385 O\n0.508874 0.062314 0.063187 O\n0.209334 0.799642 0.998647 O\n0.866010 0.957161 0.898335 O\n0.111480 0.915918 0.463659 O\n0.758556 0.341552 0.315360 O\n0.786273 0.930612 0.382364 O\n0.359300 0.446402 0.211970 O\n0.540255 0.343455 0.133188 O\n0.167291 0.347686 0.247693 O\n0.204804 0.387208 0.995789 O\n0.716351 0.452701 0.761114 O\n0.614914 0.790763 0.566409 O\n0.164332 0.448381 0.701023 O\n0.907392 0.443507 0.592436 O\n0.251773 0.917742 0.810348 O\n0.259427 0.157867 0.172060 O\n0.364837 0.735062 0.150917 O\n0.781180 0.139381 0.373377 O\n0.423961 0.406902 0.962386 O\n0.078942 0.896220 0.252584 O\n0.281744 0.084549 0.678428 O\n0.896858 0.215561 0.206083 O\n0.639726 0.367437 0.943298 O\n0.094899 0.623219 0.795389 O\n0.447912 0.452721 0.528098 O\n0.713357 0.557631 0.938765 O\n0.456673 0.982213 0.771507 O\n0.940751 0.883029 0.097307 O\n0.002323 0.473024 0.924808 O\n0.283234 0.890606 0.326392 O\n0.706327 0.534053 0.237037 O\n0.458543 0.290889 0.325218 O\n0.671049 0.986787 0.809035 O\n0.308736 0.585708 0.432381 O\n0.788028 0.670303 0.082212 O\n0.512672 0.142780 0.475404 O\n0.174200 0.548673 0.282558 O\n0.483655 0.790740 0.311234 O\n0.288195 0.523054 0.844779 O\n0.895727 0.225016 0.577361 O\n0.865275 0.418239 0.140320 O\n0.893046 0.783564 0.282755 O\n0.144075 0.252400 0.650230 O\n0.095852 0.296133 0.845239 O\n0.148282 0.728868 0.376427 O\n",
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"spacegroup": 1
},
{
"id": "mp-1017305",
"created_at": "2022-09-04T14:46:12.187018Z",
"structure_string": "Na2 Mg12 Sb2\n1.0\n5.272577 0.000000 0.000000\n0.000000 6.353668 0.000000\n0.000000 0.000000 11.435557\nNa Mg Sb\n2 12 2\ndirect\n0.000000 0.000000 0.167170 Na\n0.000000 0.500000 0.667170 Na\n0.000000 0.248225 0.416305 Mg\n0.000000 0.751775 0.416305 Mg\n0.500000 0.750636 0.081232 Mg\n0.500000 0.249364 0.081232 Mg\n0.500000 0.000000 0.335724 Mg\n0.500000 0.500000 0.336299 Mg\n0.000000 0.748225 0.916305 Mg\n0.000000 0.251775 0.916305 Mg\n0.500000 0.250636 0.581232 Mg\n0.500000 0.749364 0.581232 Mg\n0.500000 0.500000 0.835724 Mg\n0.500000 0.000000 0.836299 Mg\n0.000000 0.500000 0.165729 Sb\n0.000000 0.000000 0.665729 Sb\n",
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"formula_full": "Na2 Mg12 Sb2",
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{
"id": "mp-1225460",
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"structure_string": "Fe4 H36 S8 O48\n1.0\n5.559847 0.000000 0.000000\n0.000000 9.764874 0.000000\n0.000000 0.000000 18.369308\nFe H S O\n4 36 8 48\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.935851 0.994671 0.250000 H\n0.564149 0.494671 0.250000 H\n0.064149 0.005329 0.750000 H\n0.435851 0.505329 0.750000 H\n0.663934 0.913108 0.097300 H\n0.836066 0.413108 0.402700 H\n0.336066 0.086892 0.597300 H\n0.163934 0.586892 0.902700 H\n0.336066 0.086892 0.902700 H\n0.163934 0.586892 0.597300 H\n0.663934 0.913108 0.402700 H\n0.836066 0.413108 0.097300 H\n0.946966 0.830981 0.204995 H\n0.553034 0.330981 0.295005 H\n0.053034 0.169019 0.704995 H\n0.446966 0.669019 0.795005 H\n0.053034 0.169019 0.795005 H\n0.446966 0.669019 0.704995 H\n0.946966 0.830981 0.295005 H\n0.553034 0.330981 0.204995 H\n0.684606 0.074745 0.102642 H\n0.815394 0.574745 0.397358 H\n0.315394 0.925255 0.602642 H\n0.184606 0.425255 0.897358 H\n0.315394 0.925255 0.897358 H\n0.184606 0.425255 0.602642 H\n0.684606 0.074745 0.397358 H\n0.815394 0.574745 0.102642 H\n0.997492 0.186765 0.206310 H\n0.502508 0.686765 0.293690 H\n0.002508 0.813235 0.706310 H\n0.497492 0.313235 0.793690 H\n0.002508 0.813235 0.793690 H\n0.497492 0.313235 0.706310 H\n0.997492 0.186765 0.293690 H\n0.502508 0.686765 0.206310 H\n0.211980 0.736157 0.088703 S\n0.288020 0.236157 0.411297 S\n0.788020 0.263843 0.588703 S\n0.711980 0.763843 0.911297 S\n0.788020 0.263843 0.911297 S\n0.711980 0.763843 0.588703 S\n0.211980 0.736157 0.411297 S\n0.288020 0.236157 0.088703 S\n0.950846 0.133592 0.250000 O\n0.549154 0.633592 0.250000 O\n0.049154 0.866408 0.750000 O\n0.450846 0.366408 0.750000 O\n0.164194 0.823686 0.022984 O\n0.335806 0.323686 0.477016 O\n0.835806 0.176314 0.522984 O\n0.664194 0.676314 0.977016 O\n0.835806 0.176314 0.977016 O\n0.664194 0.676314 0.522984 O\n0.164194 0.823686 0.477016 O\n0.335806 0.323686 0.022984 O\n0.777715 0.990400 0.091960 O\n0.722285 0.490400 0.408040 O\n0.222285 0.009600 0.591960 O\n0.277715 0.509600 0.908040 O\n0.222285 0.009600 0.908040 O\n0.277715 0.509600 0.591960 O\n0.777715 0.990400 0.408040 O\n0.722285 0.490400 0.091960 O\n0.423906 0.787466 0.128420 O\n0.076094 0.287466 0.371580 O\n0.576094 0.212534 0.628420 O\n0.923906 0.712534 0.871580 O\n0.576094 0.212534 0.871580 O\n0.923906 0.712534 0.628420 O\n0.423906 0.787466 0.371580 O\n0.076094 0.287466 0.128420 O\n0.253221 0.593492 0.060818 O\n0.246779 0.093492 0.439182 O\n0.746779 0.406508 0.560818 O\n0.753221 0.906508 0.939182 O\n0.746779 0.406508 0.939182 O\n0.753221 0.906508 0.560818 O\n0.253221 0.593492 0.439182 O\n0.246779 0.093492 0.060818 O\n0.995489 0.728076 0.135588 O\n0.504511 0.228076 0.364412 O\n0.004511 0.271924 0.635588 O\n0.495489 0.771924 0.864412 O\n0.004511 0.271924 0.864412 O\n0.495489 0.771924 0.635588 O\n0.995489 0.728076 0.364412 O\n0.504511 0.228076 0.135588 O\n0.900842 0.883853 0.250000 O\n0.599158 0.383853 0.250000 O\n0.099158 0.116147 0.750000 O\n0.400842 0.616147 0.750000 O\n",
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{
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