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{
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"results": [
{
"id": "mp-1247624",
"created_at": "2022-09-04T14:39:43.871013Z",
"structure_string": "Ca32 Ti12 Mn20 O80\n1.0\n11.194283 -0.078617 -0.184843\n-0.106328 15.446599 -0.001056\n-0.179291 0.008617 11.332815\nCa Ti Mn O\n32 12 20 80\ndirect\n0.975002 0.124021 0.538463 Ca\n0.974974 0.121934 0.034031 Ca\n0.978983 0.620517 0.539958 Ca\n0.978845 0.621716 0.016280 Ca\n0.545470 0.123427 0.479937 Ca\n0.541936 0.122443 0.982148 Ca\n0.545942 0.626040 0.477508 Ca\n0.552605 0.621318 0.977458 Ca\n0.527732 0.374189 0.986408 Ca\n0.511491 0.371107 0.486843 Ca\n0.527589 0.867101 0.978096 Ca\n0.518901 0.872560 0.477075 Ca\n0.954758 0.382793 0.015443 Ca\n0.954423 0.387468 0.516124 Ca\n0.954774 0.879802 0.011822 Ca\n0.954081 0.879243 0.512964 Ca\n0.242375 0.388787 0.265643 Ca\n0.244680 0.394401 0.714827 Ca\n0.244672 0.887099 0.268124 Ca\n0.241073 0.891406 0.746629 Ca\n0.739753 0.378327 0.259197 Ca\n0.749831 0.376738 0.767034 Ca\n0.734682 0.863077 0.246057 Ca\n0.730457 0.859079 0.747489 Ca\n0.227284 0.120492 0.221685 Ca\n0.228434 0.120032 0.732456 Ca\n0.232283 0.621986 0.217814 Ca\n0.219803 0.615355 0.736956 Ca\n0.758530 0.124210 0.255372 Ca\n0.753440 0.125437 0.753524 Ca\n0.774976 0.617591 0.254191 Ca\n0.768191 0.614532 0.752249 Ca\n0.988143 0.996500 0.273828 Ti\n0.981138 0.996234 0.769642 Ti\n0.001521 0.500580 0.271817 Ti\n0.245639 0.973523 0.018806 Ti\n0.235100 0.984837 0.514046 Ti\n0.246570 0.469506 0.014663 Ti\n0.264158 0.246112 0.941821 Ti\n0.262754 0.232903 0.446916 Ti\n0.265121 0.743260 0.943184 Ti\n0.994006 0.254383 0.283707 Ti\n0.994671 0.255573 0.784114 Ti\n0.005340 0.752370 0.279264 Ti\n0.993982 0.495513 0.761888 Mn\n0.500837 0.991548 0.225184 Mn\n0.496739 0.993171 0.726213 Mn\n0.500826 0.500256 0.233366 Mn\n0.494443 0.490511 0.725932 Mn\n0.228099 0.526306 0.505230 Mn\n0.742182 0.999765 0.993968 Mn\n0.743012 0.999758 0.496166 Mn\n0.750837 0.500635 0.003168 Mn\n0.740928 0.501059 0.502245 Mn\n0.274946 0.735071 0.446373 Mn\n0.744674 0.247977 0.009779 Mn\n0.744604 0.250785 0.507023 Mn\n0.753495 0.747895 0.999533 Mn\n0.752073 0.749447 0.500222 Mn\n0.993572 0.755736 0.773431 Mn\n0.499662 0.252808 0.251458 Mn\n0.500170 0.253691 0.752078 Mn\n0.507531 0.742479 0.245807 Mn\n0.493242 0.746438 0.746050 Mn\n0.567141 0.250530 0.090184 O\n0.569186 0.250868 0.591794 O\n0.599330 0.755760 0.092690 O\n0.555615 0.753609 0.582682 O\n0.385764 0.179400 0.367272 O\n0.384469 0.185713 0.872253 O\n0.397505 0.663201 0.341314 O\n0.391585 0.684880 0.882924 O\n0.921555 0.238466 0.419630 O\n0.919708 0.237394 0.919214 O\n0.934738 0.737434 0.417636 O\n0.908361 0.743974 0.927145 O\n0.172549 0.250294 0.306389 O\n0.175608 0.258367 0.801915 O\n0.175633 0.752904 0.286550 O\n0.184004 0.755851 0.803323 O\n0.654230 0.231953 0.345072 O\n0.654675 0.234681 0.845907 O\n0.664605 0.727244 0.347129 O\n0.650677 0.723830 0.838379 O\n0.876902 0.269361 0.165580 O\n0.880578 0.266995 0.662862 O\n0.887460 0.781543 0.167931 O\n0.859114 0.777376 0.644277 O\n0.357368 0.527256 0.109962 O\n0.347753 0.518253 0.643939 O\n0.355526 0.030155 0.115483 O\n0.350540 0.031412 0.617797 O\n0.871729 0.478004 0.163818 O\n0.840864 0.477927 0.647152 O\n0.866340 0.975164 0.169772 O\n0.858651 0.975558 0.667520 O\n0.198765 0.016931 0.361689 O\n0.224592 0.010098 0.868994 O\n0.171453 0.511887 0.337317 O\n0.211924 0.500721 0.865755 O\n0.627833 0.030433 0.341107 O\n0.624692 0.032962 0.841895 O\n0.645859 0.522203 0.348013 O\n0.625038 0.515639 0.838000 O\n0.904431 0.016019 0.410376 O\n0.899255 0.015651 0.908792 O\n0.913905 0.518020 0.401236 O\n0.894763 0.510335 0.902907 O\n0.113466 0.467870 0.102112 O\n0.094509 0.478223 0.620167 O\n0.112734 0.976017 0.108894 O\n0.106251 0.976534 0.612225 O\n0.604156 0.490929 0.091818 O\n0.578144 0.495708 0.584320 O\n0.598962 0.982450 0.081852 O\n0.596898 0.984674 0.583264 O\n0.019955 0.375649 0.306071 O\n0.010545 0.374910 0.808788 O\n0.031838 0.883508 0.316598 O\n0.034335 0.888716 0.815491 O\n0.448336 0.379125 0.290771 O\n0.441653 0.376405 0.794621 O\n0.453633 0.868322 0.280409 O\n0.444382 0.872835 0.787440 O\n0.010460 0.123411 0.238678 O\n0.014822 0.122056 0.745771 O\n0.004814 0.626930 0.227159 O\n0.999736 0.620944 0.745002 O\n0.178391 0.179357 0.035434 O\n0.178401 0.165533 0.544316 O\n0.178669 0.672400 0.028946 O\n0.183638 0.653680 0.545463 O\n0.755674 0.120341 0.047041 O\n0.755828 0.122091 0.544644 O\n0.762292 0.625287 0.044492 O\n0.756437 0.627125 0.542383 O\n0.297490 0.338043 0.510607 O\n0.299410 0.352292 0.021354 O\n0.285897 0.871925 0.496591 O\n0.295048 0.856318 0.014105 O\n0.745267 0.377886 0.464694 O\n0.746153 0.376138 0.975413 O\n0.747094 0.874184 0.455039 O\n0.745370 0.874539 0.957200 O\n",
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"elements": [
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"volume": 1958.9914588194447,
"volume_molar": 8.192584939339195,
"formula_full": "Ca32 Ti12 Mn20 O80",
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"formula_anonymous": "A3B5C8D20",
"energy": -1161.01385337,
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"updated_at": "2021-11-28T01:34:30.571000Z",
"spacegroup": 1
},
{
"id": "mp-1100827",
"created_at": "2022-09-04T14:40:09.857227Z",
"structure_string": "Zr40 S27\n1.0\n1.694304 -2.934621 0.000000\n1.694304 2.934621 0.000000\n0.000000 0.000000 137.702350\nZr S\n40 27\ndirect\n0.000000 0.000000 0.025007 Zr\n0.000000 0.000000 0.051044 Zr\n0.000000 0.000000 0.075675 Zr\n0.000000 0.000000 0.100060 Zr\n0.000000 0.000000 0.124936 Zr\n0.000000 0.000000 0.149964 Zr\n0.000000 0.000000 0.174988 Zr\n0.000000 0.000000 0.200029 Zr\n0.000000 0.000000 0.225069 Zr\n0.000000 0.000000 0.249940 Zr\n0.000000 0.000000 0.299001 Zr\n0.000000 0.000000 0.349481 Zr\n0.000000 0.000000 0.398725 Zr\n0.000000 0.000000 0.424312 Zr\n0.000000 0.000000 0.449757 Zr\n0.000000 0.000000 0.499992 Zr\n0.000000 0.000000 0.599998 Zr\n0.000000 0.000000 0.625002 Zr\n0.000000 0.000000 0.700003 Zr\n0.000000 0.000000 0.775003 Zr\n0.000000 0.000000 0.800006 Zr\n0.000000 0.000000 0.825003 Zr\n0.000000 0.000000 0.850005 Zr\n0.000000 0.000000 0.874997 Zr\n0.000000 0.000000 0.900003 Zr\n0.000000 0.000000 0.975698 Zr\n0.000000 0.000000 0.001317 Zr\n0.000000 0.000000 0.474947 Zr\n0.000000 0.000000 0.575000 Zr\n0.000000 0.000000 0.675002 Zr\n0.000000 0.000000 0.950243 Zr\n0.000000 0.000000 0.274326 Zr\n0.000000 0.000000 0.325186 Zr\n0.000000 0.000000 0.375221 Zr\n0.000000 0.000000 0.524999 Zr\n0.000000 0.000000 0.549995 Zr\n0.000000 0.000000 0.650001 Zr\n0.000000 0.000000 0.725003 Zr\n0.000000 0.000000 0.750004 Zr\n0.000000 0.000000 0.925050 Zr\n0.333333 0.666667 0.037942 S\n0.333333 0.666667 0.312145 S\n0.333333 0.666667 0.362400 S\n0.333333 0.666667 0.437086 S\n0.333333 0.666667 0.411513 S\n0.333333 0.666667 0.462385 S\n0.333333 0.666667 0.487482 S\n0.333333 0.666667 0.512495 S\n0.333333 0.666667 0.562496 S\n0.333333 0.666667 0.537495 S\n0.333333 0.666667 0.587497 S\n0.333333 0.666667 0.612499 S\n0.333333 0.666667 0.637502 S\n0.333333 0.666667 0.687502 S\n0.333333 0.666667 0.662502 S\n0.333333 0.666667 0.712501 S\n0.333333 0.666667 0.737504 S\n0.333333 0.666667 0.762504 S\n0.333333 0.666667 0.787505 S\n0.333333 0.666667 0.812504 S\n0.333333 0.666667 0.837503 S\n0.333333 0.666667 0.862503 S\n0.333333 0.666667 0.912513 S\n0.333333 0.666667 0.887499 S\n0.333333 0.666667 0.937607 S\n0.333333 0.666667 0.962915 S\n0.333333 0.666667 0.988505 S\n",
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},
{
"id": "mp-972662",
"created_at": "2022-09-04T14:45:53.025980Z",
"structure_string": "Sm2 Fe17 C3\n1.0\n4.865707 -4.348633 0.000000\n4.865707 4.348633 0.000000\n0.979200 0.000000 6.451890\nSm Fe C\n2 17 3\ndirect\n0.656558 0.656558 0.656558 Sm\n0.343442 0.343442 0.343442 Sm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.716120 0.283880 0.000000 Fe\n0.000000 0.716120 0.283880 Fe\n0.283880 0.000000 0.716120 Fe\n0.000000 0.283880 0.716120 Fe\n0.716120 0.000000 0.283880 Fe\n0.283880 0.716120 0.000000 Fe\n0.342446 0.342446 0.856976 Fe\n0.856976 0.342446 0.342446 Fe\n0.342446 0.856976 0.342446 Fe\n0.657554 0.657554 0.143024 Fe\n0.143024 0.657554 0.657554 Fe\n0.657554 0.143024 0.657554 Fe\n0.905063 0.905063 0.905063 Fe\n0.094937 0.094937 0.094937 Fe\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n",
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{
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"structure_string": "Al8 Si4 O20\n1.0\n-5.635636 0.000000 0.000000\n1.390869 7.068308 0.000000\n-0.013871 -2.227662 -7.615741\nAl Si O\n8 4 20\ndirect\n0.834991 0.888009 0.082623 Al\n0.165009 0.111991 0.917377 Al\n0.359710 0.900160 0.613689 Al\n0.640290 0.099840 0.386311 Al\n0.049656 0.702869 0.301246 Al\n0.950344 0.297131 0.698754 Al\n0.541958 0.675003 0.295981 Al\n0.458042 0.324997 0.704019 Al\n0.810977 0.709170 0.668500 Si\n0.189023 0.290830 0.331500 Si\n0.293271 0.703997 0.935091 Si\n0.706729 0.296003 0.064909 Si\n0.244037 0.498019 0.769947 O\n0.755963 0.501981 0.230053 O\n0.755342 0.498679 0.723634 O\n0.244658 0.501321 0.276366 O\n0.533777 0.709550 0.053184 O\n0.466223 0.290450 0.946816 O\n0.572112 0.718691 0.555392 O\n0.427888 0.281309 0.444608 O\n0.361057 0.877673 0.370017 O\n0.638943 0.122327 0.629983 O\n0.332312 0.891053 0.847083 O\n0.667688 0.108947 0.152917 O\n0.128404 0.110046 0.146458 O\n0.871596 0.889954 0.853542 O\n0.181610 0.123202 0.686031 O\n0.818390 0.876798 0.313969 O\n0.955240 0.273932 0.454772 O\n0.044760 0.726068 0.545228 O\n0.934496 0.282383 0.934680 O\n0.065504 0.717617 0.065320 O\n",
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{
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{
"id": "mp-754862",
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"structure_string": "V3 Sb1 P4 O16\n1.0\n5.032801 0.004396 -0.000003\n0.006783 10.316966 -0.000001\n-0.000003 -0.000001 6.040567\nV Sb P O\n3 1 4 16\ndirect\n0.471906 0.228195 0.750002 V\n0.532524 0.779079 0.249999 V\n0.976563 0.265828 0.249993 V\n0.026181 0.723496 0.749999 Sb\n0.110418 0.597223 0.250001 P\n0.414590 0.100150 0.250001 P\n0.570030 0.913357 0.749998 P\n0.905194 0.387358 0.750002 P\n0.120091 0.450063 0.250000 O\n0.276389 0.661675 0.054089 O\n0.276388 0.661675 0.445906 O\n0.205447 0.366552 0.750000 O\n0.268653 0.894306 0.750000 O\n0.266973 0.171802 0.051962 O\n0.266973 0.171801 0.448042 O\n0.360448 0.954124 0.249999 O\n0.638478 0.056830 0.749999 O\n0.706173 0.842201 0.547592 O\n0.706173 0.842201 0.952408 O\n0.713054 0.125656 0.250002 O\n0.825224 0.648079 0.249998 O\n0.766207 0.314447 0.549524 O\n0.766209 0.314448 0.950482 O\n0.829715 0.529448 0.750001 O\n",
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{
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