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{
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{
"id": "mp-559364",
"created_at": "2022-09-04T14:40:13.810050Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.855982 0.000000 0.000000\n-1.418046 6.891649 0.000000\n-3.213356 -1.720388 9.208401\nSr Bi B O\n2 4 8 20\ndirect\n0.034131 0.849504 0.165562 Sr\n0.965869 0.150496 0.834438 Sr\n0.732466 0.642441 0.663947 Bi\n0.267534 0.357559 0.336053 Bi\n0.695954 0.017179 0.399287 Bi\n0.304046 0.982821 0.600713 Bi\n0.399095 0.204567 0.074919 B\n0.600905 0.795433 0.925081 B\n0.847636 0.609663 0.367970 B\n0.152364 0.390337 0.632030 B\n0.410879 0.746717 0.093035 B\n0.199064 0.697071 0.822559 B\n0.800936 0.302929 0.177441 B\n0.589121 0.253283 0.906965 B\n0.075467 0.185323 0.605349 O\n0.640586 0.896794 0.586770 O\n0.601900 0.773871 0.064986 O\n0.411362 0.775018 0.814702 O\n0.588638 0.224982 0.185298 O\n0.359414 0.103206 0.413230 O\n0.211462 0.165577 0.095479 O\n0.781703 0.296046 0.020494 O\n0.218297 0.703954 0.979506 O\n0.742055 0.512394 0.446288 O\n0.889032 0.514814 0.251131 O\n0.938375 0.183189 0.251221 O\n0.581682 0.227688 0.766685 O\n0.788538 0.834423 0.904521 O\n0.110968 0.485186 0.748869 O\n0.257945 0.487606 0.553712 O\n0.061625 0.816811 0.748779 O\n0.924533 0.814677 0.394651 O\n0.418318 0.772312 0.233315 O\n0.398100 0.226129 0.935014 O\n",
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"spacegroup": 2
},
{
"id": "mp-979980",
"created_at": "2022-09-04T14:40:13.812157Z",
"structure_string": "V2 Pd6\n1.0\n2.763386 -4.786324 0.000000\n2.763386 4.786324 0.000000\n0.000000 0.000000 4.488023\nV Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.169463 0.338927 0.250000 Pd\n0.661073 0.830537 0.250000 Pd\n0.169463 0.830537 0.250000 Pd\n0.830537 0.661073 0.750000 Pd\n0.338927 0.169463 0.750000 Pd\n0.830537 0.169463 0.750000 Pd\n",
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"formula_full": "V2 Pd6",
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"updated_at": "2021-11-28T01:34:54.897000Z",
"spacegroup": 194
},
{
"id": "mp-1521693",
"created_at": "2022-09-04T14:40:13.832945Z",
"structure_string": "Sr1 Nd1 Zr1 Ni1 O6\n1.0\n0.000000 -4.001519 -4.001519\n4.001519 0.000000 -4.001519\n4.001519 -4.001519 0.000000\nSr Nd Zr Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ni\n0.757152 0.242848 0.242848 O\n0.242848 0.757152 0.757152 O\n0.757152 0.242848 0.757152 O\n0.242848 0.757152 0.242848 O\n0.757152 0.757152 0.242848 O\n0.242848 0.242848 0.757152 O\n",
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"density": 6.191111136712412,
"density_atomic": 0.07803606364945695,
"volume": 128.1458793836738,
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"formula_full": "Sr1 Nd1 Zr1 Ni1 O6",
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"energy": -78.96337657,
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"updated_at": "2021-11-28T01:34:52.869000Z",
"spacegroup": 216
},
{
"id": "mp-33137",
"created_at": "2022-09-04T14:40:13.837712Z",
"structure_string": "Tc4 O8\n1.0\n4.813419 0.000000 0.000000\n0.000000 5.532753 0.000000\n0.000000 2.636291 4.927251\nTc O\n4 8\ndirect\n0.504859 0.734809 0.780164 Tc\n0.004859 0.265191 0.719836 Tc\n0.495141 0.265191 0.219836 Tc\n0.995141 0.734809 0.280164 Tc\n0.213079 0.607445 0.623805 O\n0.191263 0.105611 0.086793 O\n0.808737 0.894389 0.913207 O\n0.691263 0.894389 0.413207 O\n0.308737 0.105611 0.586793 O\n0.286921 0.607445 0.123805 O\n0.713079 0.392555 0.876195 O\n0.786921 0.392555 0.376195 O\n",
"nsites": 12,
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"elements": [
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"chemical_system": "O-Tc",
"density": 6.580346997899599,
"density_atomic": 0.09144955772981596,
"volume": 131.21988009448353,
"volume_molar": 6.585204903660849,
"formula_full": "Tc4 O8",
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"formula_anonymous": "AB2",
"energy": -103.62661268,
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"updated_at": "2021-11-28T01:34:55.685000Z",
"spacegroup": 14
},
{
"id": "mp-778931",
"created_at": "2022-09-04T14:40:13.838974Z",
"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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"volume": 1563.9309839495731,
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"formula_full": "Cr8 B24 H24 O72",
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{
"id": "mp-1094521",
"created_at": "2022-09-04T14:40:13.927444Z",
"structure_string": "Mg2 Sn4\n1.0\n2.876555 -4.907831 0.000000\n2.876555 4.907831 0.000000\n0.000000 0.000000 5.480112\nMg Sn\n2 4\ndirect\n0.667558 0.667558 0.750000 Mg\n0.332442 0.332442 0.250000 Mg\n0.005969 0.337275 0.750000 Sn\n0.337275 0.005969 0.750000 Sn\n0.662725 0.994031 0.250000 Sn\n0.994031 0.662725 0.250000 Sn\n",
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{
"id": "mp-1182497",
"created_at": "2022-09-04T14:40:13.547992Z",
"structure_string": "Au6 N6 Cl24 O4\n1.0\n5.523093 6.984807 0.000000\n-5.523093 6.984807 0.000000\n0.000000 2.589423 14.575010\nAu N Cl O\n6 6 24 4\ndirect\n0.001600 0.859067 0.387733 Au\n0.140933 0.998400 0.112267 Au\n0.998400 0.140933 0.612267 Au\n0.859067 0.001600 0.887733 Au\n0.568062 0.431938 0.250000 Au\n0.431938 0.568062 0.750000 Au\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.131914 0.429766 0.280109 N\n0.570234 0.868086 0.219891 N\n0.868086 0.570234 0.719891 N\n0.429766 0.131914 0.780109 N\n0.825363 0.704571 0.437757 Cl\n0.295429 0.174637 0.062243 Cl\n0.174637 0.295429 0.562243 Cl\n0.704571 0.825363 0.937757 Cl\n0.176345 0.021142 0.340464 Cl\n0.978858 0.823655 0.159536 Cl\n0.823655 0.978858 0.659536 Cl\n0.021142 0.176345 0.840464 Cl\n0.801232 0.075173 0.398335 Cl\n0.924827 0.198768 0.101665 Cl\n0.198768 0.924827 0.601665 Cl\n0.075173 0.801232 0.898335 Cl\n0.199047 0.637389 0.376302 Cl\n0.362611 0.800953 0.123698 Cl\n0.800953 0.362611 0.623698 Cl\n0.637389 0.199047 0.876302 Cl\n0.726135 0.604846 0.195788 Cl\n0.395154 0.273865 0.304212 Cl\n0.273865 0.395154 0.804212 Cl\n0.604846 0.726135 0.695788 Cl\n0.604411 0.450001 0.399529 Cl\n0.549999 0.395589 0.100471 Cl\n0.395589 0.549999 0.600471 Cl\n0.450001 0.604411 0.899529 Cl\n0.114688 0.469453 0.205851 O\n0.530547 0.885312 0.294149 O\n0.885312 0.530547 0.794149 O\n0.469453 0.114688 0.705851 O\n",
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{
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