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{
"id": "mp-27710",
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"structure_string": "Cr1 B4\n1.0\n-1.426493 2.374709 2.744175\n1.426493 -2.374709 2.744175\n1.426493 2.374709 -2.744175\nCr B\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.537472 0.342198 0.195274 B\n0.146924 0.342198 0.804726 B\n0.853076 0.657802 0.195274 B\n0.462528 0.657802 0.804726 B\n",
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{
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{
"id": "mp-778931",
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"structure_string": "Cr8 B24 H24 O72\n1.0\n9.312844 0.000000 0.000000\n0.000000 11.764621 0.000000\n0.000000 0.000000 14.274382\nCr B H O\n8 24 24 72\ndirect\n0.343698 0.235510 0.324850 Cr\n0.656302 0.235510 0.824850 Cr\n0.156302 0.264490 0.824850 Cr\n0.843698 0.264490 0.324850 Cr\n0.156302 0.735510 0.675150 Cr\n0.843698 0.735510 0.175150 Cr\n0.343698 0.764490 0.175150 Cr\n0.656302 0.764490 0.675150 Cr\n0.966385 0.147892 0.580703 B\n0.033615 0.147892 0.080703 B\n0.532575 0.144572 0.074306 B\n0.467425 0.144572 0.574306 B\n0.909378 0.245637 0.950230 B\n0.090622 0.245637 0.450230 B\n0.409378 0.254363 0.950230 B\n0.590622 0.254363 0.450230 B\n0.032575 0.355428 0.074306 B\n0.967425 0.355428 0.574306 B\n0.533615 0.352108 0.080703 B\n0.466385 0.352108 0.580703 B\n0.466385 0.647892 0.919297 B\n0.533615 0.647892 0.419297 B\n0.032575 0.644572 0.425694 B\n0.967425 0.644572 0.925694 B\n0.409378 0.745637 0.549770 B\n0.590622 0.745637 0.049770 B\n0.090622 0.754363 0.049770 B\n0.909378 0.754363 0.549770 B\n0.467425 0.855428 0.925694 B\n0.532575 0.855428 0.425694 B\n0.033615 0.852108 0.419297 B\n0.966385 0.852108 0.919297 B\n0.064229 0.983246 0.086860 H\n0.935771 0.983246 0.586860 H\n0.562669 0.022592 0.422535 H\n0.437331 0.022592 0.922535 H\n0.296545 0.203874 0.694542 H\n0.703455 0.203874 0.194542 H\n0.203455 0.296126 0.194542 H\n0.796545 0.296126 0.694542 H\n0.062669 0.477408 0.422535 H\n0.937331 0.477408 0.922535 H\n0.564229 0.516754 0.086860 H\n0.435771 0.516754 0.586860 H\n0.435771 0.483246 0.913140 H\n0.564229 0.483246 0.413140 H\n0.062669 0.522592 0.077465 H\n0.937331 0.522592 0.577465 H\n0.796545 0.703874 0.805458 H\n0.203455 0.703874 0.305458 H\n0.296545 0.796126 0.805458 H\n0.703455 0.796126 0.305458 H\n0.437331 0.977408 0.577465 H\n0.562669 0.977408 0.077465 H\n0.064229 0.016754 0.413140 H\n0.935771 0.016754 0.913140 H\n0.417709 0.047724 0.612972 O\n0.582291 0.047724 0.112972 O\n0.086312 0.053130 0.121607 O\n0.913688 0.053130 0.621607 O\n0.328482 0.108909 0.289404 O\n0.671518 0.108909 0.789404 O\n0.945377 0.145331 0.002561 O\n0.054623 0.145331 0.502561 O\n0.550131 0.148332 0.493941 O\n0.449869 0.148332 0.993941 O\n0.781317 0.175401 0.238623 O\n0.218683 0.175401 0.738623 O\n0.016285 0.235099 0.353548 O\n0.983715 0.235099 0.853548 O\n0.246179 0.250581 0.425409 O\n0.753821 0.250581 0.925409 O\n0.427662 0.246038 0.619459 O\n0.572338 0.246038 0.119459 O\n0.072338 0.253962 0.119459 O\n0.927662 0.253962 0.619459 O\n0.746179 0.249419 0.425409 O\n0.253821 0.249419 0.925409 O\n0.483715 0.264901 0.853548 O\n0.516285 0.264901 0.353548 O\n0.281317 0.324599 0.238623 O\n0.718683 0.324599 0.738623 O\n0.050131 0.351668 0.493941 O\n0.949869 0.351668 0.993941 O\n0.554623 0.354669 0.502561 O\n0.445377 0.354669 0.002561 O\n0.828482 0.391091 0.289404 O\n0.171518 0.391091 0.789404 O\n0.586312 0.446870 0.121607 O\n0.413688 0.446870 0.621607 O\n0.082291 0.452276 0.112972 O\n0.917709 0.452276 0.612972 O\n0.082291 0.547724 0.387028 O\n0.917709 0.547724 0.887028 O\n0.586312 0.553130 0.378393 O\n0.413688 0.553130 0.878393 O\n0.828482 0.608909 0.210596 O\n0.171518 0.608909 0.710596 O\n0.445377 0.645331 0.497439 O\n0.554623 0.645331 0.997439 O\n0.050131 0.648332 0.006059 O\n0.949869 0.648332 0.506059 O\n0.281317 0.675401 0.261377 O\n0.718683 0.675401 0.761377 O\n0.483715 0.735099 0.646452 O\n0.516285 0.735099 0.146452 O\n0.253821 0.750581 0.574591 O\n0.746179 0.750581 0.074591 O\n0.927662 0.746038 0.880541 O\n0.072338 0.746038 0.380541 O\n0.427662 0.753962 0.880541 O\n0.572338 0.753962 0.380541 O\n0.246179 0.749419 0.074591 O\n0.753821 0.749419 0.574591 O\n0.016285 0.764901 0.146452 O\n0.983715 0.764901 0.646452 O\n0.218683 0.824599 0.761377 O\n0.781317 0.824599 0.261377 O\n0.449869 0.851668 0.506059 O\n0.550131 0.851668 0.006059 O\n0.054623 0.854669 0.997439 O\n0.945377 0.854669 0.497439 O\n0.328482 0.891091 0.210596 O\n0.671518 0.891091 0.710596 O\n0.086312 0.946870 0.378393 O\n0.913688 0.946870 0.878393 O\n0.417709 0.952276 0.887028 O\n0.582291 0.952276 0.387028 O\n",
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"elements": [
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"density": 1.9659570800603918,
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"volume": 1563.9309839495731,
"volume_molar": 7.357978534585649,
"formula_full": "Cr8 B24 H24 O72",
"formula_reduced": "CrB3(HO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -935.29888068,
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"updated_at": "2021-11-28T01:34:48.613000Z",
"spacegroup": 60
},
{
"id": "mp-567148",
"created_at": "2022-09-04T14:47:20.161301Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.468675 -0.016136 -0.240888\n-2.236026 5.217396 -1.550449\n0.098914 -0.069633 8.988439\nCr B H\n1 6 16\ndirect\n0.000000 0.500000 0.500000 Cr\n0.312482 0.611897 0.304715 B\n0.687518 0.388103 0.695285 B\n0.110882 0.335627 0.132296 B\n0.265967 0.308376 0.312877 B\n0.889118 0.664373 0.867704 B\n0.734033 0.691624 0.687123 B\n0.256125 0.308589 0.023977 H\n0.410356 0.235404 0.668734 H\n0.518584 0.284310 0.341950 H\n0.141949 0.715440 0.382866 H\n0.873618 0.870775 0.814407 H\n0.481416 0.715690 0.658050 H\n0.858051 0.284560 0.617134 H\n0.201903 0.607902 0.171382 H\n0.179669 0.738228 0.897505 H\n0.743875 0.691411 0.976023 H\n0.820331 0.261772 0.102495 H\n0.073357 0.214283 0.399200 H\n0.926643 0.785717 0.600800 H\n0.126382 0.129225 0.185593 H\n0.798097 0.392098 0.828618 H\n0.589644 0.764596 0.331266 H\n",
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"formula_full": "Cr1 B6 H16",
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{
"id": "mp-666728",
"created_at": "2022-09-04T14:42:48.152084Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.475192 0.000000 0.000000\n-2.168126 5.470298 0.000000\n-0.384804 -2.806959 8.531095\nCr B H\n1 6 16\ndirect\n0.500000 0.000000 0.500000 Cr\n0.007767 0.307182 0.304715 B\n0.992233 0.692818 0.695285 B\n0.978586 0.203331 0.132296 B\n0.953090 0.995500 0.312877 B\n0.021414 0.796669 0.867704 B\n0.046910 0.004500 0.687123 B\n0.232148 0.284612 0.023977 H\n0.741621 0.566670 0.668734 H\n0.176634 0.942361 0.341950 H\n0.759083 0.332574 0.382866 H\n0.059211 0.056369 0.814407 H\n0.823366 0.057639 0.658050 H\n0.240917 0.667426 0.617134 H\n0.030521 0.436520 0.171382 H\n0.282165 0.840723 0.897505 H\n0.767852 0.715388 0.976023 H\n0.717835 0.159277 0.102495 H\n0.674157 0.815083 0.399200 H\n0.325843 0.184917 0.600800 H\n0.940789 0.943631 0.185593 H\n0.969479 0.563480 0.828618 H\n0.258379 0.433330 0.331266 H\n",
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{
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"structure_string": "Cr1 B2 W1\n1.0\n1.539803 -4.113893 0.000000\n1.539803 4.113893 0.000000\n0.000000 0.000000 3.012566\nCr B W\n1 2 1\ndirect\n0.858263 0.141737 0.000000 Cr\n0.435022 0.564978 0.500000 B\n0.557833 0.442167 0.000000 B\n0.148883 0.851117 0.500000 W\n",
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{
"id": "mp-1226273",
"created_at": "2022-09-04T14:44:59.942175Z",
"structure_string": "Cr2 B4 Ru2\n1.0\n2.911726 0.000000 0.000000\n0.000000 4.314198 0.000000\n0.000000 0.000000 5.851973\nCr B Ru\n2 4 2\ndirect\n0.000000 0.127826 0.683159 Cr\n0.000000 0.872174 0.183159 Cr\n0.000000 0.650741 0.529122 B\n0.000000 0.349259 0.029122 B\n0.500000 0.867274 0.465965 B\n0.500000 0.132726 0.965965 B\n0.500000 0.363283 0.321754 Ru\n0.500000 0.636717 0.821754 Ru\n",
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"formula_full": "Cr2 B4 Ru2",
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{
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