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{
"id": "mp-1043991",
"created_at": "2022-09-04T14:40:09.576245Z",
"structure_string": "La2 Mg2 Ta2 Fe2 O12\n1.0\n-0.000129 5.454329 -0.013552\n0.001872 -0.019602 8.032772\n5.618781 -0.000227 0.001288\nLa Mg Ta Fe O\n2 2 2 2 12\ndirect\n0.992172 0.249856 0.048941 La\n0.492056 0.749772 0.451329 La\n0.525924 0.256952 0.553772 Mg\n0.025825 0.757136 0.946453 Mg\n0.002659 0.498091 0.509707 Ta\n0.502791 0.998140 0.990264 Ta\n0.499005 0.499114 0.004387 Fe\n0.998821 0.998916 0.495525 Fe\n0.647293 0.769331 0.035182 O\n0.146751 0.269165 0.465187 O\n0.194604 0.938625 0.183640 O\n0.694331 0.438818 0.316282 O\n0.164216 0.570877 0.203461 O\n0.664397 0.070976 0.296356 O\n0.902051 0.734346 0.566619 O\n0.401694 0.234172 0.932938 O\n0.281851 0.557242 0.716314 O\n0.782030 0.057700 0.783732 O\n0.290952 0.925292 0.724810 O\n0.790573 0.425484 0.775100 O\n",
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{
"id": "mp-1207733",
"created_at": "2022-09-04T14:41:05.716822Z",
"structure_string": "Y4 Cr4 Ge4 O20\n1.0\n5.808551 0.000000 0.000000\n0.000000 7.443218 0.000000\n0.000000 0.000000 8.486395\nY Cr Ge O\n4 4 4 20\ndirect\n0.500000 0.356621 0.326455 Y\n0.500000 0.643379 0.673545 Y\n0.500000 0.143379 0.826455 Y\n0.500000 0.856621 0.173545 Y\n0.249469 0.000000 0.500000 Cr\n0.750531 0.000000 0.500000 Cr\n0.750531 0.500000 0.000000 Cr\n0.249469 0.500000 0.000000 Cr\n0.000000 0.117350 0.144369 Ge\n0.000000 0.882650 0.855631 Ge\n0.000000 0.382650 0.644369 Ge\n0.000000 0.617350 0.355631 Ge\n0.249440 0.110804 0.282133 O\n0.750560 0.889196 0.717867 O\n0.249440 0.889196 0.717867 O\n0.750560 0.389196 0.782133 O\n0.750560 0.110804 0.282133 O\n0.249440 0.610804 0.217867 O\n0.750560 0.610804 0.217867 O\n0.249440 0.389196 0.782133 O\n0.000000 0.342648 0.081508 O\n0.000000 0.657352 0.918492 O\n0.000000 0.157352 0.581508 O\n0.000000 0.842648 0.418492 O\n0.500000 0.331626 0.057270 O\n0.500000 0.668374 0.942730 O\n0.500000 0.168374 0.557270 O\n0.500000 0.831626 0.442730 O\n0.211403 0.000000 0.000000 O\n0.788597 0.000000 0.000000 O\n0.788597 0.500000 0.500000 O\n0.211403 0.500000 0.500000 O\n",
"nsites": 32,
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],
"chemical_system": "Cr-Ge-O-Y",
"density": 5.314018196058346,
"density_atomic": 0.08721640678737527,
"volume": 366.90344372948937,
"volume_molar": 6.904825573336639,
"formula_full": "Y4 Cr4 Ge4 O20",
"formula_reduced": "YCrGeO5",
"formula_anonymous": "ABCD5",
"energy": -272.3326954,
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"updated_at": "2021-11-28T01:35:13.984000Z",
"spacegroup": 55
},
{
"id": "mp-1385907",
"created_at": "2022-09-04T14:47:14.096686Z",
"structure_string": "Mn2 Zn2 F8\n1.0\n2.644266 5.752152 0.000000\n-2.644266 5.752152 0.000000\n0.000000 2.228929 4.700817\nMn Zn F\n2 2 8\ndirect\n0.996604 0.501814 0.250778 Mn\n0.498186 0.003396 0.749222 Mn\n0.737314 0.262686 0.000000 Zn\n0.257550 0.742450 0.500000 Zn\n0.678299 0.566662 0.653651 F\n0.920380 0.826874 0.416318 F\n0.317362 0.432948 0.853079 F\n0.433338 0.321701 0.346349 F\n0.073119 0.174756 0.085060 F\n0.173126 0.079620 0.583682 F\n0.567052 0.682638 0.146921 F\n0.825244 0.926881 0.914940 F\n",
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"formula_full": "Mn2 Zn2 F8",
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"updated_at": "2021-11-28T01:38:04.368000Z",
"spacegroup": 15
},
{
"id": "mp-17868",
"created_at": "2022-09-04T14:41:08.257728Z",
"structure_string": "Na6 As6 O18\n1.0\n7.457167 0.000000 0.000000\n-0.042778 7.615046 0.000000\n-0.380205 -1.970942 8.013608\nNa As O\n6 6 18\ndirect\n0.755857 0.575242 0.796814 Na\n0.244143 0.424758 0.203186 Na\n0.747117 0.057751 0.778353 Na\n0.252883 0.942249 0.221647 Na\n0.982365 0.253634 0.511585 Na\n0.017635 0.746366 0.488415 Na\n0.550918 0.721020 0.386314 As\n0.449082 0.278980 0.613686 As\n0.777844 0.952975 0.171312 As\n0.222156 0.047025 0.828688 As\n0.773240 0.378241 0.173869 As\n0.226760 0.621759 0.826131 As\n0.679359 0.171285 0.202977 O\n0.297971 0.232633 0.453003 O\n0.328502 0.729571 0.403902 O\n0.671498 0.270429 0.596098 O\n0.580499 0.858187 0.238137 O\n0.419501 0.141813 0.761863 O\n0.049533 0.554657 0.692150 O\n0.950467 0.445343 0.307850 O\n0.047280 0.043566 0.692839 O\n0.952720 0.956434 0.307161 O\n0.215945 0.633784 0.029239 O\n0.574886 0.499167 0.252254 O\n0.205605 0.133286 0.033084 O\n0.794395 0.866714 0.966916 O\n0.320641 0.828715 0.797023 O\n0.784055 0.366216 0.970761 O\n0.425114 0.500833 0.747746 O\n0.702029 0.767367 0.546997 O\n",
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"elements": [
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"chemical_system": "As-Na-O",
"density": 3.1945495503337953,
"density_atomic": 0.06592448719602263,
"volume": 455.06611087920555,
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"formula_full": "Na6 As6 O18",
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"updated_at": "2021-11-28T01:35:08.837000Z",
"spacegroup": 2
},
{
"id": "mp-625886",
"created_at": "2022-09-04T14:45:43.040258Z",
"structure_string": "Ta4 H8 O14\n1.0\n0.000000 5.441085 5.489904\n5.107021 0.000000 5.489904\n5.107021 5.441085 0.000000\nTa H O\n4 8 14\ndirect\n0.125000 0.625000 0.625000 Ta\n0.625000 0.125000 0.625000 Ta\n0.625000 0.625000 0.125000 Ta\n0.625000 0.625000 0.625000 Ta\n0.803710 0.196290 0.196290 H\n0.196290 0.803710 0.803710 H\n0.446290 0.053710 0.053710 H\n0.053710 0.446290 0.446290 H\n0.911887 0.088113 0.911887 H\n0.088113 0.911887 0.088113 H\n0.161887 0.338113 0.161887 H\n0.338113 0.161887 0.338113 H\n0.326781 0.326781 0.673219 O\n0.673219 0.673219 0.326781 O\n0.320548 0.679452 0.320548 O\n0.679452 0.320548 0.679452 O\n0.706654 0.293346 0.293346 O\n0.293346 0.706654 0.706654 O\n0.923219 0.923219 0.576781 O\n0.576781 0.576781 0.923219 O\n0.929452 0.570548 0.929452 O\n0.570548 0.929452 0.570548 O\n0.543346 0.956654 0.956654 O\n0.956654 0.543346 0.543346 O\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n",
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"elements": [
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"H",
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],
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"energy": -202.14642398,
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"updated_at": "2021-11-28T01:37:19.140000Z",
"spacegroup": 70
},
{
"id": "mp-707209",
"created_at": "2022-09-04T14:44:17.378774Z",
"structure_string": "Cs4 H96 Rh4 S8 O80\n1.0\n12.438593 0.000000 0.000000\n0.000000 12.438593 0.000000\n0.000000 0.000000 12.438593\nCs H Rh S O\n4 96 4 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.208110 0.621414 0.176060 H\n0.791890 0.121414 0.323940 H\n0.291890 0.378586 0.676060 H\n0.708110 0.878586 0.823940 H\n0.176060 0.208110 0.621414 H\n0.323940 0.791890 0.121414 H\n0.676060 0.291890 0.378586 H\n0.823940 0.708110 0.878586 H\n0.621414 0.176060 0.208110 H\n0.121414 0.323940 0.791890 H\n0.378586 0.676060 0.291890 H\n0.878586 0.823940 0.708110 H\n0.791890 0.378586 0.823940 H\n0.208110 0.878586 0.676060 H\n0.708110 0.621414 0.323940 H\n0.291890 0.121414 0.176060 H\n0.823940 0.791890 0.378586 H\n0.676060 0.208110 0.878586 H\n0.323940 0.708110 0.621414 H\n0.176060 0.291890 0.121414 H\n0.378586 0.823940 0.791890 H\n0.878586 0.676060 0.208110 H\n0.621414 0.323940 0.708110 H\n0.121414 0.176060 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