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{
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"results": [
{
"id": "mp-1101959",
"created_at": "2022-09-04T14:41:18.296759Z",
"structure_string": "Zr4 Ge4 Rh4\n1.0\n4.034749 0.000000 0.000000\n0.000000 6.665703 0.000000\n0.000000 0.000000 7.633963\nZr Ge Rh\n4 4 4\ndirect\n0.250000 0.022191 0.812491 Zr\n0.250000 0.522191 0.687509 Zr\n0.750000 0.977809 0.187509 Zr\n0.750000 0.477809 0.312491 Zr\n0.250000 0.768012 0.379526 Ge\n0.250000 0.268012 0.120474 Ge\n0.750000 0.231988 0.620474 Ge\n0.750000 0.731988 0.879526 Ge\n0.250000 0.146812 0.437842 Rh\n0.250000 0.646812 0.062158 Rh\n0.750000 0.853188 0.562158 Rh\n0.750000 0.353188 0.937842 Rh\n",
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{
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"created_at": "2022-09-04T14:41:18.302843Z",
"structure_string": "Na4 Zn4 O6\n1.0\n5.965873 0.000000 0.000000\n0.000000 5.906703 0.000000\n0.000000 2.864940 5.312495\nNa Zn O\n4 4 6\ndirect\n0.345094 0.863809 0.903696 Na\n0.154906 0.863809 0.403696 Na\n0.654906 0.136191 0.096304 Na\n0.845094 0.136191 0.596304 Na\n0.121649 0.341087 0.919934 Zn\n0.378351 0.341087 0.419934 Zn\n0.878351 0.658913 0.080066 Zn\n0.621649 0.658913 0.580066 Zn\n0.500000 0.000000 0.500000 O\n0.589569 0.642221 0.246384 O\n0.089569 0.357779 0.253616 O\n0.410431 0.357779 0.753616 O\n0.000000 0.000000 0.000000 O\n0.910431 0.642221 0.746384 O\n",
"nsites": 14,
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"elements": [
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"Zn",
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],
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"formula_full": "Na4 Zn4 O6",
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"updated_at": "2021-11-28T01:35:26.082000Z",
"spacegroup": 14
},
{
"id": "mp-543001",
"created_at": "2022-09-04T14:41:18.366099Z",
"structure_string": "Zr10 Sn8\n1.0\n4.429499 -7.672117 0.000000\n4.429499 7.672117 0.000000\n0.000000 0.000000 5.979332\nZr Sn\n10 8\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.280836 0.000000 0.250000 Zr\n0.280836 0.280836 0.750000 Zr\n0.000000 0.719164 0.750000 Zr\n0.000000 0.280836 0.250000 Zr\n0.719164 0.719164 0.250000 Zr\n0.719164 0.000000 0.750000 Zr\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.613897 0.000000 0.250000 Sn\n0.613897 0.613897 0.750000 Sn\n0.000000 0.386103 0.750000 Sn\n0.000000 0.613897 0.250000 Sn\n0.386103 0.386103 0.250000 Sn\n0.386103 0.000000 0.750000 Sn\n",
"nsites": 18,
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"elements": [
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"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.607774397621459,
"density_atomic": 0.0442914620153068,
"volume": 406.3988674336226,
"volume_molar": 13.596617691054751,
"formula_full": "Zr10 Sn8",
"formula_reduced": "Zr5Sn4",
"formula_anonymous": "A4B5",
"energy": -128.2219862,
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"updated_at": "2021-11-28T01:35:18.014000Z",
"spacegroup": 193
},
{
"id": "mp-7955",
"created_at": "2022-09-04T14:41:18.453503Z",
"structure_string": "Li6 Sb2\n1.0\n2.345014 -4.061684 0.000000\n2.345014 4.061684 0.000000\n0.000000 0.000000 8.347243\nLi Sb\n6 2\ndirect\n0.333333 0.666667 0.912279 Li\n0.666667 0.333333 0.412279 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333333 0.666667 0.587721 Li\n0.666667 0.333333 0.087721 Li\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n",
"nsites": 8,
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"elements": [
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"Sb"
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"chemical_system": "Li-Sb",
"density": 2.97798301925688,
"density_atomic": 0.050311279546796664,
"volume": 159.01006835969773,
"volume_molar": 11.969762673991525,
"formula_full": "Li6 Sb2",
"formula_reduced": "Li3Sb",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:14.862000Z",
"spacegroup": 194
},
{
"id": "mp-1096669",
"created_at": "2022-09-04T14:41:18.459220Z",
"structure_string": "Tl2 Hg1 Pb1\n1.0\n-5.942191 6.535831 9.233616\n5.942191 -6.535831 9.233616\n5.942191 6.535831 -9.233616\nTl Hg Pb\n2 1 1\ndirect\n0.000000 0.257294 0.257294 Tl\n0.000000 0.742706 0.742706 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Tl",
"density": 0.9452706398991341,
"density_atomic": 0.00278856498213845,
"volume": 1434.429545526511,
"volume_molar": 215.95841583658697,
"formula_full": "Tl2 Hg1 Pb1",
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"formula_anonymous": "ABC2",
"energy": -5.41379928,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.895000Z",
"spacegroup": 71
},
{
"id": "mp-1211125",
"created_at": "2022-09-04T14:41:18.481755Z",
"structure_string": "Nd8 Co2 S14\n1.0\n4.925017 -8.530380 0.000000\n4.925017 8.530380 0.000000\n0.000000 0.000000 6.751429\nNd Co S\n8 2 14\ndirect\n0.666667 0.333333 0.825824 Nd\n0.333333 0.666667 0.325824 Nd\n0.627363 0.855514 0.784013 Nd\n0.228151 0.372637 0.784013 Nd\n0.372637 0.144486 0.284013 Nd\n0.144486 0.771849 0.784013 Nd\n0.771849 0.627363 0.284013 Nd\n0.855514 0.228151 0.284013 Nd\n0.000000 0.000000 0.981320 Co\n0.000000 0.000000 0.481320 Co\n0.493103 0.563560 0.539377 S\n0.070457 0.506897 0.539377 S\n0.506897 0.436440 0.039377 S\n0.436440 0.929543 0.539377 S\n0.929543 0.493103 0.039377 S\n0.563560 0.070457 0.039377 S\n0.666667 0.333333 0.435493 S\n0.333333 0.666667 0.935493 S\n0.907055 0.136581 0.697065 S\n0.229526 0.092945 0.697065 S\n0.092945 0.863419 0.197065 S\n0.863419 0.770474 0.697065 S\n0.770474 0.907055 0.197065 S\n0.136581 0.229526 0.197065 S\n",
"nsites": 24,
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"elements": [
"Nd",
"Co",
"S"
],
"chemical_system": "Co-Nd-S",
"density": 5.036810027060604,
"density_atomic": 0.04230672712222955,
"volume": 567.2856690299141,
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"formula_full": "Nd8 Co2 S14",
"formula_reduced": "Nd4CoS7",
"formula_anonymous": "AB4C7",
"energy": -155.71007028,
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"updated_at": "2021-11-28T01:35:14.329000Z",
"spacegroup": 173
},
{
"id": "mp-1201764",
"created_at": "2022-09-04T14:41:18.177362Z",
"structure_string": "Te4 Pb20 O32\n1.0\n12.271394 0.000000 0.000000\n0.000000 7.599024 0.000000\n0.000000 7.448368 10.850696\nTe Pb O\n4 20 32\ndirect\n0.613734 0.072071 0.781523 Te\n0.886266 0.072071 0.281523 Te\n0.386266 0.927929 0.218477 Te\n0.113734 0.927929 0.718477 Te\n0.607456 0.785110 0.099991 Pb\n0.892544 0.785110 0.599991 Pb\n0.392544 0.214890 0.900009 Pb\n0.107456 0.214890 0.400009 Pb\n0.620469 0.175648 0.455299 Pb\n0.879531 0.175648 0.955299 Pb\n0.379531 0.824352 0.544701 Pb\n0.120469 0.824352 0.044701 Pb\n0.620135 0.273718 0.122767 Pb\n0.879865 0.273718 0.622767 Pb\n0.379865 0.726282 0.877233 Pb\n0.120135 0.726282 0.377233 Pb\n0.654703 0.714750 0.420098 Pb\n0.845297 0.714750 0.920098 Pb\n0.345297 0.285250 0.579902 Pb\n0.154703 0.285250 0.079902 Pb\n0.371809 0.411802 0.257600 Pb\n0.128191 0.411802 0.757600 Pb\n0.628191 0.588198 0.742400 Pb\n0.871809 0.588198 0.242400 Pb\n0.768829 0.062558 0.825277 O\n0.731171 0.062558 0.325277 O\n0.231171 0.937442 0.174723 O\n0.268829 0.937442 0.674723 O\n0.576232 0.153690 0.898597 O\n0.923768 0.153690 0.398597 O\n0.423768 0.846310 0.101403 O\n0.076232 0.846310 0.601403 O\n0.454532 0.065462 0.753078 O\n0.045468 0.065462 0.253078 O\n0.545468 0.934538 0.246922 O\n0.954532 0.934538 0.746922 O\n0.575433 0.825977 0.529678 O\n0.924567 0.825977 0.029678 O\n0.424567 0.174023 0.470322 O\n0.075433 0.174023 0.970322 O\n0.550341 0.419449 0.216948 O\n0.949659 0.419449 0.716948 O\n0.449659 0.580551 0.783052 O\n0.050341 0.580551 0.283052 O\n0.592461 0.770399 0.924659 O\n0.907539 0.770399 0.424659 O\n0.407539 0.229601 0.075341 O\n0.092461 0.229601 0.575341 O\n0.653284 0.977089 0.678403 O\n0.846716 0.977089 0.178403 O\n0.346716 0.022911 0.321597 O\n0.153284 0.022911 0.821597 O\n0.619451 0.371723 0.650705 O\n0.880549 0.371723 0.150705 O\n0.380549 0.628277 0.349295 O\n0.119451 0.628277 0.849295 O\n",
"nsites": 56,
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"elements": [
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"Pb",
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"density": 8.47864005571746,
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"volume": 1011.8341025158911,
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"formula_full": "Te4 Pb20 O32",
"formula_reduced": "TePb5O8",
"formula_anonymous": "AB5C8",
"energy": -331.49531077,
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"updated_at": "2021-11-28T01:35:16.713000Z",
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},
{
"id": "mp-799002",
"created_at": "2022-09-04T14:41:18.183493Z",
"structure_string": "Li6 Co2 O1 F11\n1.0\n5.127007 0.000000 0.000000\n-2.557743 4.815259 0.000000\n-0.042563 -2.874905 8.206417\nLi Co O F\n6 2 1 11\ndirect\n0.028062 0.268224 0.081551 Li\n0.610681 0.304996 0.568265 Li\n0.175947 0.726583 0.166768 Li\n0.687499 0.695905 0.682628 Li\n0.412943 0.714162 0.437748 Li\n0.819107 0.283173 0.813303 Li\n0.338915 0.321245 0.321845 Co\n0.914282 0.679577 0.925888 Co\n0.479242 0.492508 0.134109 O\n0.813893 0.794928 0.227363 F\n0.322483 0.792689 0.726903 F\n0.088815 0.498241 0.358397 F\n0.827083 0.854496 0.455487 F\n0.263640 0.796270 0.969922 F\n0.234578 0.209308 0.516025 F\n0.719960 0.203593 0.022815 F\n0.550782 0.496685 0.890966 F\n0.917091 0.499921 0.624917 F\n0.651788 0.201666 0.279105 F\n0.124496 0.139074 0.795477 F\n",
"nsites": 20,
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],
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"density_atomic": 0.09871720537612856,
"volume": 202.5989281584376,
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"formula_full": "Li6 Co2 O1 F11",
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"formula_anonymous": "AB2C6D11",
"energy": -79.30318186,
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"updated_at": "2021-11-28T01:35:10.046000Z",
"spacegroup": 1
},
{
"id": "mp-558293",
"created_at": "2022-09-04T14:41:18.186383Z",
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},
{
"id": "mp-1209132",
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"structure_string": "Rb4 Tm4 I12\n1.0\n8.243836 0.000000 0.000000\n0.000000 8.641627 0.000000\n0.000000 0.000000 11.937015\nRb Tm I\n4 4 12\ndirect\n0.028167 0.427762 0.250000 Rb\n0.971833 0.572238 0.750000 Rb\n0.528167 0.072238 0.750000 Rb\n0.471833 0.927762 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.294932 0.208870 0.038686 I\n0.705068 0.791130 0.961314 I\n0.794932 0.291130 0.961314 I\n0.705068 0.791130 0.538686 I\n0.205068 0.708870 0.038686 I\n0.294932 0.208870 0.461314 I\n0.205068 0.708870 0.461314 I\n0.794932 0.291130 0.538686 I\n0.584584 0.510311 0.250000 I\n0.415416 0.489689 0.750000 I\n0.084584 0.989689 0.750000 I\n0.915416 0.010311 0.250000 I\n",
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{
"id": "mp-775267",
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.951731 0.079183 -0.014304\n3.872462 -7.505958 0.001778\n3.979096 2.175958 -13.977541\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.147948 0.255353 0.331906 Li\n0.149527 0.796021 0.132672 Li\n0.151205 0.295172 0.632377 Li\n0.149528 0.724773 0.460327 Li\n0.149956 0.225400 0.961015 Li\n0.148622 0.757471 0.832975 Li\n0.850393 0.242657 0.167785 Li\n0.853308 0.773697 0.038332 Li\n0.849490 0.275113 0.539138 Li\n0.850614 0.703027 0.367823 Li\n0.849497 0.204363 0.868470 Li\n0.851215 0.743485 0.668082 Li\n0.042942 0.977659 0.325735 Mn\n0.562570 0.221901 0.073652 Mn\n0.437654 0.281138 0.424095 Mn\n0.560532 0.721361 0.575986 Mn\n0.045742 0.478571 0.825881 V\n0.435085 0.781720 0.927080 V\n0.954547 0.521378 0.173732 V\n0.952442 0.024711 0.675345 V\n0.251392 0.085818 0.124714 P\n0.250010 0.022789 0.478094 P\n0.252100 0.519181 0.268300 P\n0.249769 0.022535 0.770652 P\n0.249180 0.587717 0.625842 P\n0.250533 0.521063 0.978490 P\n0.748004 0.481359 0.020254 P\n0.748368 0.416215 0.375736 P\n0.753966 0.971798 0.229470 P\n0.749955 0.477083 0.730573 P\n0.745858 0.979468 0.521199 P\n0.749152 0.916178 0.875806 P\n0.099539 0.258671 0.103761 O\n0.196117 0.067861 0.231750 O\n0.097726 0.614991 0.077108 O\n0.097219 0.117551 0.576407 O\n0.099332 0.473021 0.266678 O\n0.426274 0.091597 0.096763 O\n0.266978 0.183040 0.431748 O\n0.199051 0.713744 0.249954 O\n0.193207 0.220485 0.754449 O\n0.263599 0.499918 0.371455 O\n0.425285 0.387098 0.194115 O\n0.098821 0.762122 0.605278 O\n0.266396 0.927990 0.061480 O\n0.261491 0.430483 0.565228 O\n0.583845 0.100013 0.303773 O\n0.193727 0.572029 0.734217 O\n0.189360 0.929990 0.413460 O\n0.188953 0.427035 0.916090 O\n0.749163 0.991977 0.126186 O\n0.579154 0.615482 0.002795 O\n0.577839 0.114904 0.505222 O\n0.095862 0.979039 0.768873 O\n0.732100 0.323007 0.068198 O\n0.574414 0.407415 0.402352 O\n0.423966 0.594223 0.598346 O\n0.262064 0.681277 0.931829 O\n0.910884 0.015630 0.232238 O\n0.417257 0.885631 0.493096 O\n0.419570 0.387239 0.992903 O\n0.263694 0.999197 0.873273 O\n0.806607 0.575655 0.083188 O\n0.807349 0.071407 0.584379 O\n0.804491 0.430966 0.267365 O\n0.420529 0.895376 0.695444 O\n0.729726 0.578246 0.436875 O\n0.733027 0.074980 0.939083 O\n0.899706 0.247075 0.397197 O\n0.580050 0.606894 0.806384 O\n0.739179 0.495120 0.628208 O\n0.809963 0.775001 0.247600 O\n0.805479 0.279646 0.748789 O\n0.728316 0.820648 0.569895 O\n0.578952 0.906742 0.901128 O\n0.903139 0.522812 0.733142 O\n0.901579 0.879251 0.424754 O\n0.900807 0.385427 0.922143 O\n0.805550 0.933619 0.768061 O\n0.901562 0.742305 0.895803 O\n",
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"formula_full": "Li12 Mn4 V4 P12 O48",
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},
{
"id": "mp-1202203",
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"structure_string": "Cu12 P16 S12 Br12\n1.0\n6.657952 0.000000 0.000000\n0.000000 9.936804 0.000000\n0.000000 0.000000 18.886768\nCu P S Br\n12 16 12 12\ndirect\n0.000140 0.250000 0.633435 Cu\n0.499860 0.250000 0.133435 Cu\n0.999860 0.750000 0.366565 Cu\n0.500140 0.750000 0.866565 Cu\n0.508707 0.519032 0.316821 Cu\n0.991293 0.980968 0.816821 Cu\n0.491293 0.019032 0.683179 Cu\n0.008707 0.480968 0.183179 Cu\n0.491293 0.480968 0.683179 Cu\n0.008707 0.019032 0.183179 Cu\n0.508707 0.980968 0.316821 Cu\n0.991293 0.519032 0.816821 Cu\n0.903048 0.250000 0.522035 P\n0.596952 0.250000 0.022035 P\n0.096952 0.750000 0.477965 P\n0.403048 0.750000 0.977965 P\n0.651335 0.365584 0.386252 P\n0.848665 0.134416 0.886252 P\n0.348665 0.865584 0.613748 P\n0.151335 0.634416 0.113748 P\n0.348665 0.634416 0.613748 P\n0.151335 0.865584 0.113748 P\n0.651335 0.134416 0.386252 P\n0.848665 0.365584 0.886252 P\n0.922310 0.250000 0.348027 P\n0.577690 0.250000 0.848027 P\n0.077690 0.750000 0.651973 P\n0.422310 0.750000 0.151973 P\n0.111933 0.250000 0.436764 S\n0.388067 0.250000 0.936764 S\n0.888067 0.750000 0.563236 S\n0.611933 0.750000 0.063236 S\n0.718138 0.414028 0.492015 S\n0.781862 0.085972 0.992015 S\n0.281862 0.914028 0.507985 S\n0.218138 0.585972 0.007985 S\n0.281862 0.585972 0.507985 S\n0.218138 0.914028 0.007985 S\n0.718138 0.085972 0.492015 S\n0.781862 0.414028 0.992015 S\n0.859788 0.452878 0.695602 Br\n0.640212 0.047122 0.195602 Br\n0.140212 0.952878 0.304398 Br\n0.359788 0.547122 0.804398 Br\n0.140212 0.547122 0.304398 Br\n0.359788 0.952878 0.804398 Br\n0.859788 0.047122 0.695602 Br\n0.640212 0.452878 0.195602 Br\n0.632873 0.750000 0.350458 Br\n0.867127 0.750000 0.850458 Br\n0.367127 0.250000 0.649542 Br\n0.132873 0.250000 0.149542 Br\n",
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}
]
}