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{
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{
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{
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"formula_full": "Yb2 Fe2 Ge4 O14",
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{
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"created_at": "2022-09-04T14:46:56.892195Z",
"structure_string": "Yb3 Ge4 Pd4\n1.0\n-2.096464 3.587088 6.958400\n2.096464 -3.587088 6.958400\n2.096464 3.587088 -6.958400\nYb Ge Pd\n3 4 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.626892 0.126892 0.500000 Yb\n0.373108 0.873108 0.500000 Yb\n0.322596 0.500000 0.822596 Ge\n0.677404 0.500000 0.177404 Ge\n0.779436 0.779436 0.000000 Ge\n0.220564 0.220564 0.000000 Ge\n0.626306 0.325337 0.300969 Pd\n0.975632 0.674663 0.300969 Pd\n0.024368 0.325337 0.699031 Pd\n0.373694 0.674663 0.699031 Pd\n",
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{
"id": "mp-1236065",
"created_at": "2022-09-04T14:46:52.695175Z",
"structure_string": "Li1 Cd4 Tc4 O12\n1.0\n5.597283 0.048737 -0.001174\n0.049621 5.534816 0.010841\n-0.001962 0.015848 7.956142\nLi Cd Tc O\n1 4 4 12\ndirect\n0.786502 0.665393 0.249084 Li\n0.447572 0.415681 0.247293 Cd\n0.995714 0.070692 0.247367 Cd\n0.500949 0.452914 0.752266 Cd\n0.016077 0.969985 0.753767 Cd\n0.008775 0.508119 0.987516 Tc\n0.505767 0.992861 0.505545 Tc\n0.010358 0.507262 0.513819 Tc\n0.505623 0.993740 0.996653 Tc\n0.815941 0.813120 0.044263 O\n0.707159 0.307662 0.450748 O\n0.210779 0.203293 0.555491 O\n0.306545 0.702454 0.937182 O\n0.207216 0.201920 0.948680 O\n0.308248 0.702468 0.555820 O\n0.817971 0.815973 0.452607 O\n0.709909 0.305460 0.050893 O\n0.404233 0.979545 0.251302 O\n0.077389 0.487087 0.251468 O\n0.614813 0.029237 0.749071 O\n0.899603 0.529900 0.749167 O\n",
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{
"id": "mp-1113807",
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"structure_string": "Rb2 In1 Cu1 F6\n1.0\n0.000000 4.378657 4.378657\n4.378657 0.000000 4.378657\n4.378657 4.378657 0.000000\nRb In Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.755875 0.244125 0.244125 F\n0.244125 0.244125 0.755875 F\n0.244125 0.755875 0.755875 F\n0.244125 0.755875 0.244125 F\n0.755875 0.244125 0.755875 F\n0.755875 0.755875 0.244125 F\n",
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{
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"created_at": "2022-09-04T14:46:52.706883Z",
"structure_string": "Ga1 Co4 Ge3\n1.0\n3.299506 -3.260217 0.000000\n3.299506 3.260217 0.000000\n0.078111 0.000000 4.637850\nGa Co Ge\n1 4 3\ndirect\n0.341184 0.341184 0.341184 Ga\n0.641466 0.641466 0.641466 Co\n0.132099 0.363685 0.861081 Co\n0.363685 0.861081 0.132099 Co\n0.861081 0.132099 0.363685 Co\n0.839769 0.656551 0.164165 Ge\n0.656551 0.164165 0.839769 Ge\n0.164165 0.839769 0.656551 Ge\n",
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{
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"structure_string": "Li4 Cr1 Ni3 O8\n1.0\n10.140526 -0.004287 -0.000967\n8.473946 5.570326 -0.001026\n13.544622 4.050042 2.484632\nLi Cr Ni O\n4 1 3 8\ndirect\n0.000000 0.999999 0.499999 Li\n0.999998 0.499996 0.500005 Li\n0.499999 0.999999 0.500001 Li\n0.500000 0.500001 0.499999 Li\n0.999980 0.000011 0.000013 Cr\n0.000008 0.500009 0.999986 Ni\n0.500001 0.999999 0.999998 Ni\n0.499999 0.499993 0.000002 Ni\n0.000586 0.000641 0.264677 O\n0.000596 0.521605 0.241428 O\n0.521575 0.000587 0.241450 O\n0.999413 0.999362 0.735317 O\n0.478449 0.478374 0.285125 O\n0.999409 0.478399 0.758567 O\n0.478443 0.999410 0.758543 O\n0.521544 0.521613 0.714891 O\n",
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{
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{
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"structure_string": "Ce1 Eu1 Al4\n1.0\n0.000000 3.991004 3.991004\n3.991004 0.000000 3.991004\n3.991004 3.991004 0.000000\nCe Eu Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Eu\n0.624771 0.624771 0.125688 Al\n0.624771 0.125688 0.624771 Al\n0.125688 0.624771 0.624771 Al\n0.624771 0.624771 0.624771 Al\n",
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"structure_string": "K4 U8 S4 O48\n1.0\n-4.261697 -7.105943 1.057281\n-4.261697 7.105943 1.057281\n-0.034716 0.000000 -17.677740\nK U S O\n4 8 4 48\ndirect\n0.805162 0.313579 0.375993 K\n0.686421 0.194838 0.124008 K\n0.194838 0.686421 0.624008 K\n0.313579 0.805162 0.875992 K\n0.318261 0.354315 0.414835 U\n0.645685 0.681739 0.085165 U\n0.681739 0.645685 0.585165 U\n0.354315 0.318261 0.914835 U\n0.848782 0.821186 0.414437 U\n0.178814 0.151218 0.085563 U\n0.151218 0.178814 0.585563 U\n0.821186 0.848782 0.914437 U\n0.495806 0.504194 0.250000 S\n0.504194 0.495806 0.750000 S\n0.998908 0.001092 0.250000 S\n0.001092 0.998908 0.750000 S\n0.362912 0.492598 0.300196 O\n0.507402 0.637088 0.199804 O\n0.637088 0.507402 0.699804 O\n0.492598 0.362912 0.800196 O\n0.166333 0.654563 0.096979 O\n0.345437 0.833667 0.403021 O\n0.833667 0.345437 0.903021 O\n0.654563 0.166333 0.596979 O\n0.987222 0.868009 0.299945 O\n0.131991 0.012778 0.200055 O\n0.012778 0.131991 0.700055 O\n0.868009 0.987222 0.799945 O\n0.190280 0.478644 0.434380 O\n0.521356 0.809720 0.065620 O\n0.809720 0.521356 0.565620 O\n0.478644 0.190280 0.934380 O\n0.002216 0.457574 0.238373 O\n0.542426 0.997784 0.261627 O\n0.997784 0.542426 0.761627 O\n0.457574 0.002216 0.738373 O\n0.055225 0.181397 0.301504 O\n0.818603 0.944775 0.198496 O\n0.944775 0.818603 0.698496 O\n0.181397 0.055225 0.801504 O\n0.970776 0.690459 0.430465 O\n0.309541 0.029224 0.069535 O\n0.029224 0.309541 0.569535 O\n0.690459 0.970776 0.930465 O\n0.438046 0.228979 0.384675 O\n0.771021 0.561954 0.115325 O\n0.561954 0.771021 0.615325 O\n0.228979 0.438046 0.884675 O\n0.107056 0.099505 0.456529 O\n0.900495 0.892944 0.043471 O\n0.892944 0.900495 0.543471 O\n0.099505 0.107056 0.956529 O\n0.675922 0.560722 0.301331 O\n0.439278 0.324078 0.198669 O\n0.324078 0.439278 0.698669 O\n0.560722 0.675922 0.801331 O\n0.718001 0.938270 0.385018 O\n0.061730 0.281999 0.114982 O\n0.281999 0.061730 0.614982 O\n0.938270 0.718001 0.885018 O\n0.596972 0.611406 0.457082 O\n0.388594 0.403028 0.042918 O\n0.403028 0.388594 0.542918 O\n0.611406 0.596972 0.957082 O\n",
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"elements": [
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],
"chemical_system": "K-O-S-U",
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"density_atomic": 0.059745803949278385,
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"formula_full": "K4 U8 S4 O48",
"formula_reduced": "KU2SO12",
"formula_anonymous": "ABC2D12",
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -457.71604975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.4693424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.132000Z",
"spacegroup": 15
},
{
"id": "mp-20762",
"created_at": "2022-09-04T14:46:52.807530Z",
"structure_string": "U2 Sn2 Pd2\n1.0\n2.497259 -4.325379 0.000000\n2.497259 4.325379 0.000000\n0.000000 0.000000 5.779377\nU Sn Pd\n2 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.250000 Pd\n0.333333 0.666667 0.750000 Pd\n",
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"elements": [
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],
"chemical_system": "Pd-Sn-U",
"density": 12.31998959462046,
"density_atomic": 0.04805653735097906,
"volume": 124.8529405308425,
"volume_molar": 12.531366369610712,
"formula_full": "U2 Sn2 Pd2",
"formula_reduced": "USnPd",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:37:38.880000Z",
"spacegroup": 194
}
]
}