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{
"id": "mp-1238885",
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"structure_string": "Rb8 Cr16 S32\n1.0\n11.407933 0.000000 0.000000\n0.000000 8.384416 0.000000\n0.000000 0.000000 12.657259\nRb Cr S\n8 16 32\ndirect\n0.046408 0.342992 0.660256 Rb\n0.953592 0.657008 0.160256 Rb\n0.453592 0.342992 0.160256 Rb\n0.546408 0.657008 0.660256 Rb\n0.102429 0.875307 0.335945 Rb\n0.897571 0.124693 0.835945 Rb\n0.397571 0.875307 0.835945 Rb\n0.602429 0.124693 0.335945 Rb\n0.108555 0.785971 0.674219 Cr\n0.891445 0.214029 0.174219 Cr\n0.391445 0.785971 0.174219 Cr\n0.608555 0.214029 0.674219 Cr\n0.141845 0.342628 0.332301 Cr\n0.858155 0.657372 0.832301 Cr\n0.358155 0.342628 0.832301 Cr\n0.641845 0.657372 0.332301 Cr\n0.151398 0.617774 0.927621 Cr\n0.848602 0.382226 0.427621 Cr\n0.348602 0.617774 0.427621 Cr\n0.651398 0.382226 0.927621 Cr\n0.156466 0.129419 0.020136 Cr\n0.843534 0.870581 0.520136 Cr\n0.343534 0.129419 0.520136 Cr\n0.656466 0.870581 0.020136 Cr\n0.035091 0.810356 0.846718 S\n0.964909 0.189644 0.346718 S\n0.464909 0.810356 0.346718 S\n0.535091 0.189644 0.846718 S\n0.079807 0.313741 0.156161 S\n0.920193 0.686259 0.656161 S\n0.420193 0.313741 0.656161 S\n0.579807 0.686259 0.156161 S\n0.985405 0.477957 0.918206 S\n0.014595 0.522043 0.418206 S\n0.514595 0.477957 0.418206 S\n0.485405 0.522043 0.918206 S\n0.978007 0.021715 0.072805 S\n0.021993 0.978285 0.572805 S\n0.521993 0.021715 0.572805 S\n0.478007 0.978285 0.072805 S\n0.279136 0.815991 0.546238 S\n0.720864 0.184009 0.046238 S\n0.220864 0.815991 0.046238 S\n0.779136 0.184009 0.546238 S\n0.248295 0.388056 0.494047 S\n0.751705 0.611944 0.994047 S\n0.251705 0.388056 0.994047 S\n0.748295 0.611944 0.494047 S\n0.207892 0.143399 0.842058 S\n0.792108 0.856601 0.342058 S\n0.292108 0.143399 0.342058 S\n0.707892 0.856601 0.842058 S\n0.235577 0.581930 0.770290 S\n0.764423 0.418070 0.270290 S\n0.264423 0.581930 0.270290 S\n0.735577 0.418070 0.770290 S\n",
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},
{
"id": "mp-1195487",
"created_at": "2022-09-04T14:42:20.729915Z",
"structure_string": "Na8 Cd6 H4 C8 O28\n1.0\n3.499126 0.000000 0.000000\n0.000000 9.452906 0.000000\n0.000000 3.085353 19.166261\nNa Cd H C O\n8 6 4 8 28\ndirect\n0.951886 0.542277 0.173776 Na\n0.451886 0.457723 0.326224 Na\n0.048114 0.457723 0.826224 Na\n0.548114 0.542277 0.673776 Na\n0.743774 0.643034 0.449942 Na\n0.243774 0.356966 0.050058 Na\n0.256226 0.356966 0.550058 Na\n0.756226 0.643034 0.949942 Na\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.557634 0.918143 0.179919 Cd\n0.057634 0.081857 0.320081 Cd\n0.442366 0.081857 0.820081 Cd\n0.942366 0.918143 0.679919 Cd\n0.977668 0.115585 0.120563 H\n0.477668 0.884415 0.379437 H\n0.022332 0.884415 0.879437 H\n0.522332 0.115585 0.620563 H\n0.396398 0.713671 0.066344 C\n0.896398 0.286329 0.433656 C\n0.603602 0.286329 0.933656 C\n0.103602 0.713671 0.566344 C\n0.080452 0.731831 0.304253 C\n0.580452 0.268169 0.195747 C\n0.919548 0.268169 0.695747 C\n0.419548 0.731831 0.804253 C\n0.943460 0.623758 0.280697 O\n0.443460 0.376242 0.219303 O\n0.056540 0.376242 0.719303 O\n0.556540 0.623758 0.780697 O\n0.494281 0.823484 0.018894 O\n0.994281 0.176516 0.481106 O\n0.505719 0.176516 0.981106 O\n0.005719 0.823484 0.518894 O\n0.054662 0.862360 0.265120 O\n0.554662 0.137640 0.234880 O\n0.945338 0.137640 0.734880 O\n0.445338 0.862360 0.765120 O\n0.050988 0.017322 0.113183 O\n0.550988 0.982678 0.386817 O\n0.949012 0.982678 0.886817 O\n0.449012 0.017322 0.613183 O\n0.458591 0.713433 0.132278 O\n0.958591 0.286567 0.367722 O\n0.541409 0.286567 0.867722 O\n0.041409 0.713433 0.632278 O\n0.237352 0.604068 0.046044 O\n0.737352 0.395932 0.453956 O\n0.762648 0.395932 0.953956 O\n0.262648 0.604068 0.546044 O\n0.245014 0.720315 0.364472 O\n0.745014 0.279685 0.135528 O\n0.754986 0.279685 0.635528 O\n0.254986 0.720315 0.864472 O\n",
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"volume": 633.9606740368406,
"volume_molar": 7.070000769174689,
"formula_full": "Na8 Cd6 H4 C8 O28",
"formula_reduced": "Na4Cd3H2(C2O7)2",
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},
{
"id": "mp-543091",
"created_at": "2022-09-04T14:48:30.308070Z",
"structure_string": "Li32 Co6 O24\n1.0\n6.537811 0.000000 0.000000\n-0.135727 6.544774 0.000000\n-0.002902 -0.027924 14.028579\nLi Co O\n32 6 24\ndirect\n0.464384 0.029029 0.588167 Li\n0.045714 0.037215 0.259143 Li\n0.044128 0.038784 0.915058 Li\n0.728908 0.221868 0.228676 Li\n0.768749 0.229035 0.567284 Li\n0.778690 0.273032 0.061898 Li\n0.729296 0.225030 0.895908 Li\n0.748221 0.250138 0.395642 Li\n0.748122 0.250675 0.730989 Li\n0.462465 0.455332 0.246011 Li\n0.473572 0.475869 0.583416 Li\n0.463162 0.453387 0.910892 Li\n0.025085 0.476949 0.239060 Li\n0.030535 0.467377 0.581167 Li\n0.022229 0.473840 0.925176 Li\n0.966836 0.527342 0.751625 Li\n0.544721 0.535748 0.076716 Li\n0.538264 0.531738 0.745941 Li\n0.965648 0.534264 0.410111 Li\n0.536278 0.538073 0.416940 Li\n0.246654 0.742690 0.437744 Li\n0.226262 0.722505 0.104022 Li\n0.275872 0.772779 0.270983 Li\n0.227390 0.768680 0.601309 Li\n0.252299 0.744039 0.769887 Li\n0.275413 0.771853 0.937225 Li\n0.964454 0.956057 0.089210 Li\n0.971698 0.967699 0.433804 Li\n0.521554 0.979651 0.082252 Li\n0.523180 0.967950 0.409726 Li\n0.972838 0.974179 0.735744 Li\n0.524463 0.979040 0.763053 Li\n0.245468 0.254079 0.082761 Co\n0.249444 0.251530 0.749425 Co\n0.247712 0.253114 0.417303 Co\n0.743407 0.757382 0.248564 Co\n0.756161 0.757643 0.584337 Co\n0.745749 0.755355 0.917403 Co\n0.762481 0.999064 0.322348 O\n0.730006 0.007942 0.658814 O\n0.766229 0.999047 0.988976 O\n0.999248 0.235988 0.155691 O\n0.986994 0.265709 0.475029 O\n0.987068 0.253035 0.821584 O\n0.511834 0.264356 0.138434 O\n0.510169 0.253797 0.482352 O\n0.511687 0.264569 0.811589 O\n0.754741 0.484763 0.651694 O\n0.742675 0.490789 0.311502 O\n0.738946 0.493015 0.974291 O\n0.261883 0.499980 0.012552 O\n0.246877 0.514826 0.680074 O\n0.253833 0.507531 0.343473 O\n0.006639 0.727971 0.509444 O\n0.008935 0.763327 0.194467 O\n0.009151 0.753258 0.853040 O\n0.487514 0.752594 0.511477 O\n0.501677 0.735637 0.177852 O\n0.499619 0.734985 0.847938 O\n0.234896 0.988011 0.027944 O\n0.241055 0.989993 0.359822 O\n0.258661 0.983005 0.691707 O\n",
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],
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},
{
"id": "mp-1217268",
"created_at": "2022-09-04T14:40:18.657435Z",
"structure_string": "Tm16 Pb8 S32\n1.0\n3.941896 -14.263205 0.000000\n3.941896 14.263205 0.000000\n0.000000 0.000000 12.077418\nTm Pb S\n16 8 32\ndirect\n0.068285 0.931715 0.911948 Tm\n0.931715 0.068285 0.411948 Tm\n0.568838 0.431162 0.919864 Tm\n0.431162 0.568838 0.419864 Tm\n0.430209 0.069788 0.787405 Tm\n0.930212 0.569791 0.787405 Tm\n0.569791 0.930212 0.287405 Tm\n0.069788 0.430209 0.287405 Tm\n0.326806 0.172165 0.266703 Tm\n0.827835 0.673194 0.266703 Tm\n0.673194 0.827835 0.766703 Tm\n0.172165 0.326806 0.766703 Tm\n0.674307 0.325693 0.433008 Tm\n0.325693 0.674307 0.933008 Tm\n0.175126 0.824874 0.429862 Tm\n0.824874 0.175126 0.929862 Tm\n0.537965 0.462035 0.619739 Pb\n0.462035 0.537965 0.119739 Pb\n0.047123 0.952877 0.563640 Pb\n0.952877 0.047123 0.063640 Pb\n0.462173 0.040886 0.096466 Pb\n0.959114 0.537827 0.096466 Pb\n0.537827 0.959114 0.596466 Pb\n0.040886 0.462173 0.596466 Pb\n0.516608 0.483392 0.317939 S\n0.483392 0.516608 0.817939 S\n0.708174 0.291826 0.645555 S\n0.291826 0.708174 0.145555 S\n0.161964 0.838036 0.936464 S\n0.838036 0.161964 0.436464 S\n0.662836 0.337164 0.938498 S\n0.337164 0.662836 0.438498 S\n0.361091 0.136716 0.475809 S\n0.863284 0.638909 0.475809 S\n0.638909 0.863284 0.975809 S\n0.136716 0.361091 0.975809 S\n0.208571 0.791429 0.644953 S\n0.791429 0.208571 0.144953 S\n0.486209 0.017107 0.384169 S\n0.982893 0.513791 0.384169 S\n0.513791 0.982893 0.884169 S\n0.017107 0.486209 0.884169 S\n0.639886 0.360114 0.225414 S\n0.360114 0.639886 0.725414 S\n0.288297 0.206711 0.058023 S\n0.793289 0.711703 0.058023 S\n0.711703 0.793289 0.558023 S\n0.206711 0.288297 0.558023 S\n0.019952 0.980048 0.333981 S\n0.980048 0.019952 0.833981 S\n0.339710 0.165654 0.767481 S\n0.834346 0.660290 0.767481 S\n0.660290 0.834346 0.267481 S\n0.165654 0.339710 0.267481 S\n0.140304 0.859696 0.222822 S\n0.859696 0.140304 0.722822 S\n",
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{
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{
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"id": "mp-1212519",
"created_at": "2022-09-04T14:41:03.492962Z",
"structure_string": "Na8 W4 O48\n1.0\n8.779479 0.000000 0.000000\n0.000000 9.649291 0.000000\n0.000000 0.337765 12.888634\nNa W O\n8 4 48\ndirect\n0.885012 0.875846 0.012296 Na\n0.114988 0.124154 0.987704 Na\n0.385012 0.124154 0.487704 Na\n0.614988 0.875846 0.512296 Na\n0.115445 0.416812 0.726681 Na\n0.884555 0.583188 0.273319 Na\n0.615445 0.583188 0.773319 Na\n0.384555 0.416812 0.226681 Na\n0.248776 0.766871 0.624949 W\n0.751224 0.233129 0.375051 W\n0.748776 0.233129 0.875051 W\n0.251224 0.766871 0.124949 W\n0.086837 0.912279 0.647491 O\n0.913163 0.087721 0.352509 O\n0.586837 0.087721 0.852509 O\n0.413163 0.912279 0.147491 O\n0.143509 0.853845 0.744451 O\n0.856491 0.146155 0.255549 O\n0.643509 0.146155 0.755549 O\n0.356491 0.853845 0.244451 O\n0.127856 0.665978 0.521797 O\n0.872144 0.334022 0.478203 O\n0.627856 0.334022 0.978203 O\n0.372144 0.665978 0.021797 O\n0.291154 0.294642 0.852647 O\n0.708846 0.705358 0.147353 O\n0.791154 0.705358 0.647353 O\n0.208846 0.294642 0.352647 O\n0.338175 0.881930 0.507763 O\n0.661825 0.118070 0.492237 O\n0.838175 0.118070 0.992237 O\n0.161825 0.881930 0.007763 O\n0.197915 0.237722 0.601849 O\n0.802085 0.762278 0.398151 O\n0.697915 0.762278 0.898151 O\n0.302085 0.237722 0.101849 O\n0.321544 0.305861 0.612682 O\n0.678456 0.694139 0.387318 O\n0.821544 0.694139 0.887318 O\n0.178456 0.305861 0.112682 O\n0.092918 0.614389 0.628429 O\n0.907082 0.385611 0.371571 O\n0.592918 0.385611 0.871571 O\n0.407082 0.614389 0.128429 O\n0.399991 0.925399 0.612460 O\n0.600009 0.074601 0.387540 O\n0.899991 0.074601 0.887540 O\n0.100009 0.925399 0.112460 O\n0.374519 0.657592 0.727499 O\n0.625481 0.342408 0.272501 O\n0.874519 0.342408 0.772501 O\n0.125481 0.657592 0.227499 O\n0.777188 0.830361 0.670039 O\n0.222812 0.169639 0.329961 O\n0.277188 0.169639 0.829961 O\n0.722812 0.830361 0.170039 O\n0.426348 0.634948 0.617220 O\n0.573652 0.365052 0.382780 O\n0.926348 0.365052 0.882780 O\n0.073652 0.634948 0.117220 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Na",
"W",
"O"
],
"chemical_system": "Na-O-W",
"density": 2.566003997647002,
"density_atomic": 0.054951583407849024,
"volume": 1091.8702661337668,
"volume_molar": 10.958994057193674,
"formula_full": "Na8 W4 O48",
"formula_reduced": "Na2WO12",
"formula_anonymous": "AB2C12",
"energy": -341.21797945000003,
"energy_per_atom": -5.686966324166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -315.73797945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.729000Z",
"spacegroup": 14
}
]
}