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{
"id": "mp-16471",
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{
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},
{
"id": "mp-22401",
"created_at": "2022-09-04T14:48:20.065956Z",
"structure_string": "Nd8 Re12 Si20\n1.0\n11.036027 0.000000 0.000000\n0.000000 11.036027 0.000000\n0.000000 0.000000 5.740003\nNd Re Si\n8 12 20\ndirect\n0.422882 0.263524 0.500000 Nd\n0.077118 0.763524 0.000000 Nd\n0.922882 0.236476 0.000000 Nd\n0.763524 0.922882 0.000000 Nd\n0.263524 0.577118 0.500000 Nd\n0.736476 0.422882 0.500000 Nd\n0.577118 0.736476 0.500000 Nd\n0.236476 0.077118 0.000000 Nd\n0.000000 0.500000 0.250000 Re\n0.500000 0.000000 0.750000 Re\n0.000000 0.500000 0.750000 Re\n0.500000 0.000000 0.250000 Re\n0.351590 0.375189 0.000000 Re\n0.375189 0.648410 0.000000 Re\n0.624811 0.351590 0.000000 Re\n0.648410 0.624811 0.000000 Re\n0.148410 0.875189 0.500000 Re\n0.851590 0.124811 0.500000 Re\n0.875189 0.851590 0.500000 Re\n0.124811 0.148410 0.500000 Re\n0.316841 0.024206 0.500000 Si\n0.683159 0.975794 0.500000 Si\n0.975794 0.316841 0.500000 Si\n0.024206 0.683159 0.500000 Si\n0.524206 0.816841 0.000000 Si\n0.816841 0.475794 0.000000 Si\n0.183159 0.524206 0.000000 Si\n0.475794 0.183159 0.000000 Si\n0.671339 0.171339 0.750000 Si\n0.171339 0.328661 0.750000 Si\n0.828661 0.671339 0.750000 Si\n0.328661 0.828661 0.750000 Si\n0.328661 0.828661 0.250000 Si\n0.000000 0.000000 0.262505 Si\n0.171339 0.328661 0.250000 Si\n0.671339 0.171339 0.250000 Si\n0.500000 0.500000 0.762505 Si\n0.000000 0.000000 0.737495 Si\n0.500000 0.500000 0.237495 Si\n0.828661 0.671339 0.250000 Si\n",
"nsites": 40,
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"elements": [
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],
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"volume": 699.0973051444204,
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"formula_full": "Nd8 Re12 Si20",
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},
{
"id": "mp-776460",
"created_at": "2022-09-04T14:41:29.071071Z",
"structure_string": "Li4 Fe1 W3 O12\n1.0\n5.187612 0.000000 0.000000\n-0.010759 5.485329 0.000000\n-0.033485 -0.555249 7.508735\nLi Fe W O\n4 1 3 12\ndirect\n0.998357 0.553544 0.698946 Li\n0.499054 0.081446 0.229057 Li\n0.003293 0.507481 0.256745 Li\n0.494215 0.084831 0.697713 Li\n0.501644 0.508213 0.499607 Fe\n0.996910 0.999212 0.995270 W\n0.004128 0.998980 0.495039 W\n0.498278 0.504479 0.999946 W\n0.297178 0.807824 0.563897 O\n0.117211 0.991242 0.247416 O\n0.319021 0.184618 0.942740 O\n0.194819 0.289588 0.563502 O\n0.803986 0.309807 0.069792 O\n0.382051 0.481983 0.244027 O\n0.619196 0.487595 0.761338 O\n0.187582 0.677069 0.939944 O\n0.821985 0.690646 0.452962 O\n0.682347 0.806290 0.068233 O\n0.879357 0.996179 0.753369 O\n0.699388 0.181376 0.449254 O\n",
"nsites": 20,
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"elements": [
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"W",
"O"
],
"chemical_system": "Fe-Li-O-W",
"density": 6.42808514136334,
"density_atomic": 0.09360370758437796,
"volume": 213.66675013349484,
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"formula_full": "Li4 Fe1 W3 O12",
"formula_reduced": "Li4Fe(WO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -158.55324989,
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"updated_at": "2021-11-28T01:35:23.582000Z",
"spacegroup": 1
},
{
"id": "mp-1202299",
"created_at": "2022-09-04T14:39:11.375882Z",
"structure_string": "Na2 Mg5 Mn11 Si12 As2 O50\n1.0\n0.080543 0.095691 -9.655587\n-10.206551 0.050563 -1.522510\n-3.619791 9.991331 -3.322578\nNa Mg Mn Si As O\n2 5 11 12 2 50\ndirect\n0.275146 0.506602 0.396467 Na\n0.724854 0.493398 0.603533 Na\n0.077303 0.026141 0.235945 Mg\n0.922697 0.973859 0.764055 Mg\n0.170263 0.999675 0.504942 Mg\n0.829737 0.000325 0.495058 Mg\n0.500000 0.000000 0.500000 Mg\n0.440270 0.377734 0.956806 Mn\n0.559730 0.622266 0.043194 Mn\n0.204677 0.611427 0.034539 Mn\n0.795323 0.388573 0.965461 Mn\n0.102307 0.356947 0.973313 Mn\n0.897693 0.643053 0.026687 Mn\n0.426243 0.009007 0.230816 Mn\n0.573757 0.990993 0.769184 Mn\n0.000000 0.000000 0.000000 Mn\n0.250583 0.991541 0.742384 Mn\n0.749417 0.008459 0.257616 Mn\n0.048105 0.287333 0.728989 Si\n0.951895 0.712667 0.271011 Si\n0.352796 0.279953 0.729535 Si\n0.647204 0.720047 0.270465 Si\n0.375019 0.719669 0.498934 Si\n0.624981 0.280330 0.501066 Si\n0.054950 0.725398 0.500443 Si\n0.945050 0.274602 0.499557 Si\n0.788347 0.707888 0.738353 Si\n0.211653 0.292112 0.261647 Si\n0.475760 0.701631 0.739815 Si\n0.524240 0.298369 0.260185 Si\n0.326112 0.838502 0.061603 As\n0.673888 0.161498 0.938397 As\n0.211337 0.868151 0.959872 O\n0.788663 0.131849 0.040128 O\n0.274317 0.909688 0.184494 O\n0.725683 0.090312 0.815506 O\n0.318504 0.653527 0.140619 O\n0.681496 0.346473 0.859381 O\n0.492932 0.148196 0.024086 O\n0.507068 0.851804 0.975914 O\n0.967167 0.339477 0.607611 O\n0.032833 0.660523 0.392389 O\n0.963671 0.883625 0.196753 O\n0.036329 0.116375 0.803247 O\n0.979634 0.370180 0.834082 O\n0.020366 0.629820 0.165918 O\n0.219557 0.331696 0.654716 O\n0.780443 0.668304 0.345284 O\n0.312055 0.349369 0.847380 O\n0.687945 0.650631 0.152620 O\n0.369117 0.110206 0.784463 O\n0.630883 0.889794 0.215537 O\n0.507544 0.342521 0.612868 O\n0.492456 0.657479 0.387132 O\n0.415557 0.650079 0.642614 O\n0.584443 0.349921 0.357386 O\n0.368039 0.887722 0.446472 O\n0.631961 0.112278 0.553528 O\n0.216858 0.660253 0.517596 O\n0.783142 0.339747 0.482404 O\n0.042516 0.893409 0.447651 O\n0.957484 0.106591 0.552349 O\n0.933818 0.655625 0.643540 O\n0.066182 0.344375 0.356460 O\n0.787041 0.874468 0.707313 O\n0.212959 0.125532 0.292687 O\n0.769397 0.617796 0.898116 O\n0.230603 0.382204 0.101884 O\n0.652038 0.659949 0.703796 O\n0.347962 0.340051 0.296204 O\n0.409947 0.606106 0.900666 O\n0.590053 0.393894 0.099334 O\n0.455825 0.867745 0.707848 O\n0.544175 0.132255 0.292152 O\n0.084675 0.139524 0.037170 O\n0.915325 0.860476 0.962830 O\n0.303165 0.093015 0.557248 O\n0.696835 0.906985 0.442752 O\n0.125907 0.893429 0.708297 O\n0.874093 0.106571 0.291703 O\n0.096168 0.586972 0.931977 O\n0.903832 0.413028 0.068023 O\n",
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"elements": [
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],
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"density": 3.4833674348609365,
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"volume": 981.3748126450135,
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"formula_full": "Na2 Mg5 Mn11 Si12 As2 O50",
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{
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"structure_string": "Dy4 Cr8 O8\n1.0\n-5.382971 5.382971 -3.458925\n5.382971 -5.382971 -3.458925\n-5.382971 -5.382971 3.458925\nDy Cr O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Dy\n0.875000 0.625000 0.750000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.125000 0.750000 Dy\n0.452368 0.083450 0.631082 Cr\n0.452368 0.821286 0.368918 Cr\n0.571286 0.702368 0.868918 Cr\n0.297632 0.428714 0.131082 Cr\n0.297632 0.166550 0.868918 Cr\n0.833450 0.702368 0.131082 Cr\n0.178714 0.547632 0.631082 Cr\n0.916550 0.547632 0.368918 Cr\n0.582382 0.396071 0.813689 O\n0.582382 0.768694 0.186311 O\n0.518694 0.832382 0.686311 O\n0.167618 0.481307 0.313689 O\n0.167618 0.853929 0.686311 O\n0.146071 0.832382 0.313689 O\n0.231306 0.417618 0.813689 O\n0.603929 0.417618 0.186311 O\n",
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{
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"structure_string": "Na2 U2 B12 O30\n1.0\n-6.480468 0.000000 0.000000\n-3.240234 -5.623478 0.000000\n-0.820900 0.000000 16.204346\nNa U B O\n2 2 12 30\ndirect\n0.319318 0.379599 0.458615 Na\n0.698917 0.620401 0.958615 Na\n0.969399 0.563430 0.249128 U\n0.532830 0.436570 0.749128 U\n0.643807 0.219608 0.253852 B\n0.863415 0.780392 0.753852 B\n0.370251 0.052648 0.294425 B\n0.422899 0.947352 0.794425 B\n0.348958 0.832926 0.414607 B\n0.181884 0.167074 0.914607 B\n0.454779 0.652615 0.275584 B\n0.107394 0.347385 0.775584 B\n0.080922 0.976803 0.211639 B\n0.057725 0.023197 0.711639 B\n0.277472 0.922833 0.567651 B\n0.200305 0.077167 0.067651 B\n0.659824 0.423272 0.249731 O\n0.083096 0.576728 0.749731 O\n0.844416 0.002736 0.240729 O\n0.847152 0.997264 0.740729 O\n0.424534 0.242510 0.273898 O\n0.667044 0.757490 0.773898 O\n0.543694 0.820354 0.259567 O\n0.364048 0.179646 0.759567 O\n0.349429 0.033330 0.385714 O\n0.382760 0.966670 0.885714 O\n0.135841 0.135752 0.257773 O\n0.271593 0.864248 0.757773 O\n0.396166 0.645722 0.364464 O\n0.041888 0.354278 0.864464 O\n0.293472 0.803396 0.495898 O\n0.096867 0.196604 0.995898 O\n0.242815 0.721154 0.228335 O\n0.963969 0.278846 0.728335 O\n0.065688 0.032770 0.124241 O\n0.098458 0.967230 0.624241 O\n0.437660 0.995995 0.578014 O\n0.433655 0.004005 0.078014 O\n0.962793 0.572670 0.360914 O\n0.535463 0.427330 0.860914 O\n0.974356 0.550412 0.138802 O\n0.524768 0.449588 0.638802 O\n0.964190 0.485625 0.546383 O\n0.449815 0.514375 0.046383 O\n0.751364 0.203201 0.461495 O\n0.954565 0.796799 0.961495 O\n",
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{
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