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{
"id": "mp-1111740",
"created_at": "2022-09-04T14:46:56.264460Z",
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{
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{
"id": "mp-781030",
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"structure_string": "Li2 Fe2 Si6 O16\n1.0\n7.102275 0.000000 0.000000\n-1.006275 7.616455 0.000000\n-2.510902 -3.995770 6.118084\nLi Fe Si O\n2 2 6 16\ndirect\n0.125077 0.721124 0.266056 Li\n0.874923 0.278876 0.733944 Li\n0.642010 0.303696 0.457489 Fe\n0.357990 0.696304 0.542511 Fe\n0.705258 0.983852 0.227584 Si\n0.795216 0.443273 0.850672 Si\n0.761440 0.492636 0.151192 Si\n0.238560 0.507364 0.848808 Si\n0.204784 0.556727 0.149328 Si\n0.294742 0.016148 0.772416 Si\n0.808194 0.066842 0.100201 O\n0.740953 0.393868 0.309355 O\n0.449640 0.190935 0.081600 O\n0.339813 0.525939 0.289779 O\n0.954990 0.668647 0.088603 O\n0.751587 0.542676 0.461362 O\n0.813839 0.126702 0.269126 O\n0.715775 0.796230 0.735384 O\n0.284225 0.203770 0.264616 O\n0.186161 0.873298 0.730874 O\n0.248413 0.457324 0.538638 O\n0.045010 0.331353 0.911397 O\n0.660187 0.474061 0.710221 O\n0.550360 0.809065 0.918400 O\n0.259047 0.606132 0.690645 O\n0.191806 0.933158 0.899799 O\n",
"nsites": 26,
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{
"id": "mp-697575",
"created_at": "2022-09-04T14:48:22.733179Z",
"structure_string": "Rb8 Zn4 H16\n1.0\n6.091142 0.000000 0.000000\n0.000000 8.210884 0.000000\n0.000000 0.000000 10.694942\nRb Zn H\n8 4 16\ndirect\n0.250000 0.660675 0.093628 Rb\n0.250000 0.160675 0.406372 Rb\n0.750000 0.339325 0.906372 Rb\n0.750000 0.839325 0.593628 Rb\n0.250000 0.985085 0.813693 Rb\n0.250000 0.485085 0.686307 Rb\n0.750000 0.014915 0.186307 Rb\n0.750000 0.514915 0.313693 Rb\n0.250000 0.739775 0.417376 Zn\n0.250000 0.239775 0.082624 Zn\n0.750000 0.260225 0.582624 Zn\n0.750000 0.760225 0.917376 Zn\n0.026492 0.813603 0.347110 H\n0.473508 0.313603 0.152890 H\n0.526492 0.186397 0.652890 H\n0.973508 0.686397 0.847110 H\n0.973508 0.186397 0.652890 H\n0.526492 0.686397 0.847110 H\n0.473508 0.813603 0.347110 H\n0.026492 0.313603 0.152890 H\n0.250000 0.537729 0.408377 H\n0.250000 0.037729 0.091623 H\n0.750000 0.462271 0.591623 H\n0.750000 0.962271 0.908377 H\n0.250000 0.305657 0.934357 H\n0.250000 0.805657 0.565643 H\n0.750000 0.694343 0.065643 H\n0.750000 0.194343 0.434357 H\n",
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"formula_full": "Rb8 Zn4 H16",
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"spacegroup": 62
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{
"id": "mp-1018794",
"created_at": "2022-09-04T14:47:21.801862Z",
"structure_string": "Mg4 Ge2\n1.0\n2.368430 -4.102241 0.000000\n2.368430 4.102241 0.000000\n0.000000 0.000000 6.098868\nMg Ge\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
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"formula_full": "Mg4 Ge2",
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},
{
"id": "mp-975609",
"created_at": "2022-09-04T14:46:42.228502Z",
"structure_string": "Li2 Tl1 Pb1\n1.0\n0.000000 3.533868 3.533868\n3.533868 0.000000 3.533868\n3.533868 3.533868 0.000000\nLi Tl Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li2 Tl1 Pb1",
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{
"id": "mp-568714",
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"structure_string": "Bi1\n1.0\n-4.257482 4.257482 1.430564\n4.257482 -4.257482 1.430564\n4.257482 4.257482 -1.430564\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "mp-1113414",
"created_at": "2022-09-04T14:45:30.187904Z",
"structure_string": "Cs2 In1 Au1 I6\n1.0\n0.000000 5.992577 5.992577\n5.992577 0.000000 5.992577\n5.992577 5.992577 0.000000\nCs In Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Au\n0.747958 0.252042 0.252042 I\n0.252042 0.252042 0.747958 I\n0.252042 0.747958 0.747958 I\n0.252042 0.747958 0.252042 I\n0.747958 0.252042 0.747958 I\n0.747958 0.747958 0.252042 I\n",
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{
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"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
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{
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"structure_string": "Mg12 Zr2 Al2\n1.0\n4.933267 0.000000 0.000000\n0.000000 6.406034 0.000000\n0.000000 0.000000 11.023218\nMg Zr Al\n12 2 2\ndirect\n0.000000 0.251025 0.083895 Mg\n0.000000 0.748975 0.083895 Mg\n0.000000 0.500000 0.832984 Mg\n0.500000 0.246769 0.917821 Mg\n0.500000 0.753231 0.917821 Mg\n0.500000 0.500000 0.665986 Mg\n0.000000 0.751025 0.583895 Mg\n0.000000 0.248975 0.583895 Mg\n0.000000 0.000000 0.332984 Mg\n0.500000 0.746769 0.417821 Mg\n0.500000 0.253231 0.417821 Mg\n0.500000 0.000000 0.165986 Mg\n0.500000 0.500000 0.174665 Zr\n0.500000 0.000000 0.674665 Zr\n0.000000 0.500000 0.322933 Al\n0.000000 0.000000 0.822933 Al\n",
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"volume": 348.3631883983158,
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"formula_full": "Mg12 Zr2 Al2",
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{
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"structure_string": "Y1 Mg16 Al12\n1.0\n5.286996 -7.576900 0.000000\n5.286996 7.576900 0.000000\n-5.571610 0.000000 7.370136\nY Mg Al\n1 16 12\ndirect\n0.629256 0.629256 0.629256 Y\n0.345771 0.004339 0.004339 Mg\n0.282345 0.684565 0.684565 Mg\n0.001887 0.001887 0.001887 Mg\n0.719904 0.389530 0.389530 Mg\n0.998688 0.605743 0.311249 Mg\n0.605743 0.311249 0.998688 Mg\n0.389530 0.719904 0.389530 Mg\n0.004339 0.345771 0.004339 Mg\n0.311249 0.998688 0.605743 Mg\n0.684565 0.684565 0.282345 Mg\n0.684565 0.282345 0.684565 Mg\n0.311249 0.605743 0.998688 Mg\n0.004339 0.004339 0.345771 Mg\n0.389530 0.389530 0.719904 Mg\n0.605743 0.998688 0.311249 Mg\n0.998688 0.311249 0.605743 Mg\n0.189121 0.372176 0.372176 Al\n0.825946 0.189623 0.189623 Al\n0.998492 0.813696 0.634790 Al\n0.372176 0.372176 0.189121 Al\n0.634790 0.998492 0.813696 Al\n0.189623 0.189623 0.825946 Al\n0.813696 0.998492 0.634790 Al\n0.813696 0.634790 0.998492 Al\n0.189623 0.825946 0.189623 Al\n0.634790 0.813696 0.998492 Al\n0.372176 0.189121 0.372176 Al\n0.998492 0.634790 0.813696 Al\n",
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{
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"structure_string": "Bi1 B1 Cl1\n1.0\n0.000000 3.313972 3.313972\n3.313972 0.000000 3.313972\n3.313972 3.313972 0.000000\nBi B Cl\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 B\n0.750000 0.750000 0.750000 Cl\n",
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]
}