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{
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{
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"structure_string": "Li4 Sn4 N4\n1.0\n10.288852 0.000000 0.000000\n0.000000 3.240977 0.000000\n0.000000 0.000000 5.627367\nLi Sn N\n4 4 4\ndirect\n0.590335 0.250000 0.992636 Li\n0.090335 0.250000 0.507364 Li\n0.409665 0.750000 0.007364 Li\n0.909665 0.750000 0.492636 Li\n0.634321 0.250000 0.525890 Sn\n0.134321 0.250000 0.974110 Sn\n0.365679 0.750000 0.474110 Sn\n0.865679 0.750000 0.025890 Sn\n0.965567 0.250000 0.226581 N\n0.465567 0.250000 0.273419 N\n0.034433 0.750000 0.773419 N\n0.534433 0.750000 0.726581 N\n",
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{
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{
"id": "mp-1214748",
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{
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"structure_string": "Li36 Sb12 S4\n1.0\n9.449824 0.000000 0.000000\n0.000000 7.765831 0.000000\n0.000000 4.387982 13.920926\nLi Sb S\n36 12 4\ndirect\n0.185686 0.955597 0.880678 Li\n0.751804 0.902219 0.951479 Li\n0.442763 0.728746 0.959641 Li\n0.314314 0.955597 0.380678 Li\n0.441131 0.867402 0.759233 Li\n0.748196 0.902219 0.451479 Li\n0.057237 0.728746 0.459641 Li\n0.211083 0.695698 0.668368 Li\n0.985915 0.701317 0.814453 Li\n0.058869 0.867402 0.259233 Li\n0.690797 0.644685 0.660572 Li\n0.288917 0.695698 0.168368 Li\n0.838853 0.458124 0.001226 Li\n0.514085 0.701317 0.314453 Li\n0.447446 0.487635 0.848907 Li\n0.947446 0.512365 0.651093 Li\n0.338853 0.541876 0.498774 Li\n0.809203 0.644685 0.160572 Li\n0.190797 0.355315 0.839428 Li\n0.661147 0.458124 0.501226 Li\n0.052554 0.487635 0.348907 Li\n0.552554 0.512365 0.151093 Li\n0.485915 0.298683 0.685547 Li\n0.161147 0.541876 0.998774 Li\n0.711083 0.304302 0.831632 Li\n0.309203 0.355315 0.339428 Li\n0.941131 0.132598 0.740767 Li\n0.014085 0.298683 0.185547 Li\n0.788917 0.304302 0.331632 Li\n0.942763 0.271254 0.540359 Li\n0.251804 0.097781 0.548521 Li\n0.558869 0.132598 0.240767 Li\n0.685686 0.044403 0.619322 Li\n0.557237 0.271254 0.040359 Li\n0.248196 0.097781 0.048521 Li\n0.814314 0.044403 0.119322 Li\n0.459711 0.819455 0.564447 Sb\n0.946562 0.889654 0.603093 Sb\n0.696534 0.666537 0.845603 Sb\n0.040289 0.819455 0.064447 Sb\n0.553438 0.889654 0.103093 Sb\n0.803466 0.666537 0.345603 Sb\n0.196534 0.333463 0.654397 Sb\n0.446562 0.110346 0.896907 Sb\n0.959711 0.180545 0.935553 Sb\n0.303466 0.333463 0.154397 Sb\n0.053438 0.110346 0.396907 Sb\n0.540289 0.180545 0.435553 Sb\n0.241766 0.673341 0.839999 S\n0.258234 0.673341 0.339999 S\n0.741766 0.326659 0.660001 S\n0.758234 0.326659 0.160001 S\n",
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{
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{
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"structure_string": "Al2 Cl6 O12\n1.0\n4.364271 -5.611431 0.000000\n4.364271 5.611431 0.000000\n-2.850715 0.000000 6.512177\nAl Cl O\n2 6 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.048035 0.451965 Cl\n0.451965 0.250000 0.048035 Cl\n0.048035 0.451965 0.250000 Cl\n0.750000 0.951965 0.548035 Cl\n0.548035 0.750000 0.951965 Cl\n0.951965 0.548035 0.750000 Cl\n0.455231 0.214691 0.467361 O\n0.467361 0.455231 0.214691 O\n0.214691 0.467361 0.455231 O\n0.544769 0.785309 0.532639 O\n0.532639 0.544769 0.785309 O\n0.785309 0.532639 0.544769 O\n0.714691 0.955231 0.967361 O\n0.955231 0.967361 0.714691 O\n0.967361 0.714691 0.955231 O\n0.285309 0.044769 0.032639 O\n0.044769 0.032639 0.285309 O\n0.032639 0.285309 0.044769 O\n",
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"formula_full": "Al2 Cl6 O12",
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},
{
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"created_at": "2022-09-04T14:47:24.280586Z",
"structure_string": "La8 C10 Cl4\n1.0\n1.960338 11.340102 0.000000\n-1.960338 11.340102 0.000000\n0.000000 0.956738 10.221587\nLa C Cl\n8 10 4\ndirect\n0.174585 0.174585 0.976473 La\n0.825415 0.825415 0.023527 La\n0.617505 0.617505 0.646607 La\n0.382495 0.382495 0.353393 La\n0.274800 0.274800 0.666298 La\n0.725200 0.725200 0.333702 La\n0.953740 0.953740 0.650623 La\n0.046260 0.046260 0.349377 La\n0.144326 0.144326 0.452596 C\n0.855674 0.855674 0.547404 C\n0.703113 0.703113 0.796698 C\n0.296887 0.296887 0.203302 C\n0.189666 0.189666 0.523818 C\n0.810334 0.810334 0.476182 C\n0.250787 0.250787 0.132989 C\n0.749213 0.749213 0.867011 C\n0.523582 0.523582 0.534562 C\n0.476418 0.476418 0.465438 C\n0.057253 0.057253 0.836024 Cl\n0.942747 0.942747 0.163976 Cl\n0.602660 0.602660 0.149968 Cl\n0.397340 0.397340 0.850032 Cl\n",
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"elements": [
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],
"chemical_system": "C-Cl-La",
"density": 5.017355455921995,
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"formula_full": "La8 C10 Cl4",
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{
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"created_at": "2022-09-04T14:47:24.253990Z",
"structure_string": "Tm4 Ta4 Ti4 O24\n1.0\n14.639975 0.000000 0.000000\n0.000000 5.200779 0.000000\n0.000000 0.033352 5.592869\nTm Ta Ti O\n4 4 4 24\ndirect\n0.000229 0.746574 0.770664 Tm\n0.500229 0.253426 0.729336 Tm\n0.999771 0.253426 0.229336 Tm\n0.499771 0.746574 0.270664 Tm\n0.332205 0.823136 0.823030 Ta\n0.832205 0.176864 0.676970 Ta\n0.667795 0.176864 0.176970 Ta\n0.167795 0.823136 0.323030 Ta\n0.164192 0.318587 0.686079 Ti\n0.664192 0.681413 0.813921 Ti\n0.835808 0.681413 0.313921 Ti\n0.335808 0.318587 0.186079 Ti\n0.908454 0.968368 0.431483 O\n0.591194 0.469556 0.065046 O\n0.408454 0.031632 0.068517 O\n0.091194 0.530444 0.434954 O\n0.091546 0.031632 0.568517 O\n0.408806 0.530444 0.934954 O\n0.591546 0.968368 0.931483 O\n0.908806 0.469556 0.565046 O\n0.259048 0.147753 0.860308 O\n0.238888 0.651537 0.634175 O\n0.759048 0.852247 0.639692 O\n0.738888 0.348463 0.865825 O\n0.740952 0.852247 0.139692 O\n0.761112 0.348463 0.365825 O\n0.240952 0.147753 0.360308 O\n0.261112 0.651537 0.134175 O\n0.084883 0.419676 0.908504 O\n0.416472 0.919984 0.588681 O\n0.584883 0.580324 0.591496 O\n0.916472 0.080016 0.911319 O\n0.915117 0.580324 0.091496 O\n0.583528 0.080016 0.411319 O\n0.415117 0.419676 0.408504 O\n0.083528 0.919984 0.088681 O\n",
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"elements": [
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"chemical_system": "O-Ta-Ti-Tm",
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"formula_full": "Tm4 Ta4 Ti4 O24",
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},
{
"id": "mp-643026",
"created_at": "2022-09-04T14:47:24.604343Z",
"structure_string": "Sr2 H8 Cl4 O4\n1.0\n3.231709 5.924852 0.000000\n-3.231709 5.924852 0.000000\n0.000000 1.796617 6.478096\nSr H Cl O\n2 8 4 4\ndirect\n0.256814 0.743186 0.750000 Sr\n0.743186 0.256814 0.250000 Sr\n0.574199 0.183504 0.880132 H\n0.816496 0.425801 0.619868 H\n0.425801 0.816496 0.119868 H\n0.183504 0.574199 0.380132 H\n0.351164 0.268829 0.049632 H\n0.731171 0.648836 0.450368 H\n0.648836 0.731171 0.950368 H\n0.268829 0.351164 0.549632 H\n0.947721 0.760209 0.153344 Cl\n0.239791 0.052279 0.346656 Cl\n0.052279 0.239791 0.846656 Cl\n0.760209 0.947721 0.653344 Cl\n0.472271 0.309126 0.973689 O\n0.690874 0.527729 0.526311 O\n0.527729 0.690874 0.026311 O\n0.309126 0.472271 0.473689 O\n",
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}