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"results": [
{
"id": "mp-1218626",
"created_at": "2022-09-04T14:45:36.715657Z",
"structure_string": "Sr4 Fe2 Mo1 W1 O12\n1.0\n5.636227 0.000000 0.000000\n-2.799362 -4.945383 0.000000\n-2.806600 1.434039 -9.315959\nSr Fe Mo W O\n4 2 1 1 12\ndirect\n0.754460 0.626491 0.385081 Sr\n0.745833 0.125197 0.862458 Sr\n0.254167 0.874803 0.137542 Sr\n0.245540 0.373509 0.614919 Sr\n0.000610 0.251740 0.253558 Fe\n0.999390 0.748260 0.746442 Fe\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 0.000000 W\n0.741149 0.859407 0.119251 O\n0.757614 0.385553 0.633261 O\n0.242386 0.614447 0.366739 O\n0.258851 0.140593 0.880749 O\n0.205174 0.096807 0.386159 O\n0.228052 0.612110 0.900146 O\n0.794826 0.903193 0.613841 O\n0.771948 0.387890 0.099854 O\n0.712055 0.642077 0.863949 O\n0.712294 0.139972 0.353484 O\n0.287706 0.860028 0.646516 O\n0.287945 0.357923 0.136051 O\n",
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"formula_full": "Sr4 Fe2 Mo1 W1 O12",
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},
{
"id": "mp-779363",
"created_at": "2022-09-04T14:45:36.718102Z",
"structure_string": "Cr8 O2 F22\n1.0\n5.058068 0.000000 0.000000\n2.526271 4.707358 0.000000\n2.524551 0.894818 16.706271\nCr O F\n8 2 22\ndirect\n0.391850 0.365505 0.879008 Cr\n0.872757 0.871554 0.375301 Cr\n0.248335 0.249756 0.249945 Cr\n0.757573 0.749133 0.749310 Cr\n0.138134 0.135025 0.622226 Cr\n0.621215 0.627477 0.123845 Cr\n0.490035 0.489277 0.504191 Cr\n0.980243 0.011237 0.996966 Cr\n0.595714 0.217516 0.968010 O\n0.344076 0.342514 0.593137 O\n0.686394 0.063538 0.812203 F\n0.563422 0.187520 0.437329 F\n0.069594 0.686410 0.937275 F\n0.654304 0.031744 0.281791 F\n0.155990 0.530195 0.785324 F\n0.404947 0.407213 0.156568 F\n0.912526 0.912824 0.656877 F\n0.094576 0.718030 0.468775 F\n0.158847 0.157463 0.906029 F\n0.182908 0.562074 0.312495 F\n0.821796 0.436271 0.686734 F\n0.844130 0.842315 0.091802 F\n0.092939 0.090759 0.343325 F\n0.594483 0.593985 0.842887 F\n0.903340 0.281740 0.531231 F\n0.844045 0.468601 0.217422 F\n0.653514 0.654951 0.410411 F\n0.350590 0.965432 0.716671 F\n0.930838 0.312379 0.061513 F\n0.432232 0.811224 0.562231 F\n0.315725 0.937380 0.187490 F\n0.392925 0.788961 0.031679 F\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Cr-F-O",
"density": 3.6148618848306873,
"density_atomic": 0.08044676128937005,
"volume": 397.7785990028211,
"volume_molar": 7.485870982845577,
"formula_full": "Cr8 O2 F22",
"formula_reduced": "Cr4OF11",
"formula_anonymous": "AB4C11",
"energy": -221.38747126,
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"updated_at": "2021-11-28T01:37:08.160000Z",
"spacegroup": 1
},
{
"id": "mp-752822",
"created_at": "2022-09-04T14:45:36.696444Z",
"structure_string": "Rb2 Cr2 H8 C8 O20\n1.0\n-6.844417 -0.000144 -0.044209\n-0.000158 -7.310199 -0.000121\n3.042447 -3.654865 10.333080\nRb Cr H C O\n2 2 8 8 20\ndirect\n0.750025 0.749987 0.500011 Rb\n0.250035 0.249999 0.499983 Rb\n0.499938 0.500055 0.999982 Cr\n0.999859 0.999989 0.999989 Cr\n0.706565 0.061969 0.101670 H\n0.206533 0.561869 0.101690 H\n0.706578 0.836386 0.101653 H\n0.206554 0.336457 0.101686 H\n0.793453 0.438138 0.898333 H\n0.293390 0.938029 0.898374 H\n0.793468 0.663501 0.898348 H\n0.293411 0.163572 0.898389 H\n0.248485 0.730151 0.752751 C\n0.748496 0.230222 0.752747 C\n0.248455 0.517098 0.752769 C\n0.748468 0.017023 0.752769 C\n0.251564 0.982986 0.247226 C\n0.751599 0.482901 0.247225 C\n0.251523 0.769788 0.247233 C\n0.751552 0.269855 0.247233 C\n0.746612 0.968909 0.062205 O\n0.246897 0.468858 0.062290 O\n0.753051 0.531124 0.937726 O\n0.253278 0.031083 0.937819 O\n0.853716 0.135678 0.341225 O\n0.353845 0.635768 0.341334 O\n0.853747 0.523177 0.341198 O\n0.353868 0.022959 0.341307 O\n0.646233 0.977009 0.658702 O\n0.146326 0.476810 0.658786 O\n0.646225 0.364220 0.658637 O\n0.146317 0.864350 0.658722 O\n0.637723 0.252054 0.138324 O\n0.137810 0.751170 0.138612 O\n0.637752 0.609625 0.138323 O\n0.137811 0.110229 0.138604 O\n0.862173 0.889776 0.861412 O\n0.362259 0.390401 0.861681 O\n0.862164 0.248838 0.861382 O\n0.362245 0.747985 0.861650 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Cr",
"H",
"C",
"O"
],
"chemical_system": "C-Cr-H-O-Rb",
"density": 2.2495484992695975,
"density_atomic": 0.07751553440118186,
"volume": 516.0255980817973,
"volume_molar": 7.768946968529423,
"formula_full": "Rb2 Cr2 H8 C8 O20",
"formula_reduced": "RbCrH4(C2O5)2",
"formula_anonymous": "ABC4D4E10",
"energy": -287.41949178,
"energy_per_atom": -7.1854872945,
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"updated_at": "2021-11-28T01:37:10.249000Z",
"spacegroup": 12
},
{
"id": "mp-1178280",
"created_at": "2022-09-04T14:45:36.698961Z",
"structure_string": "Fe8 O2 F14\n1.0\n3.283674 4.781266 0.000000\n-3.283674 4.781266 0.000000\n0.000000 4.529979 9.573710\nFe O F\n8 2 14\ndirect\n0.127327 0.127327 0.753570 Fe\n0.377237 0.377237 0.249254 Fe\n0.256769 0.747247 0.504443 Fe\n0.747247 0.256769 0.504443 Fe\n0.510167 0.994163 0.004112 Fe\n0.867885 0.867885 0.238843 Fe\n0.617402 0.617402 0.736572 Fe\n0.994163 0.510167 0.004112 Fe\n0.546366 0.546366 0.602469 O\n0.799620 0.799620 0.101388 O\n0.053904 0.053904 0.600839 F\n0.241428 0.719330 0.847962 F\n0.256810 0.784967 0.154490 F\n0.007263 0.533676 0.654237 F\n0.533676 0.007263 0.654237 F\n0.695594 0.695594 0.891833 F\n0.446807 0.446807 0.400497 F\n0.202031 0.202031 0.903721 F\n0.301706 0.301706 0.101005 F\n0.971155 0.490611 0.347482 F\n0.490611 0.971155 0.347482 F\n0.719330 0.241428 0.847962 F\n0.784967 0.256810 0.154490 F\n0.950533 0.950533 0.394558 F\n",
"nsites": 24,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.113755736794157,
"density_atomic": 0.07983586552511303,
"volume": 300.61676969545226,
"volume_molar": 7.543152091343816,
"formula_full": "Fe8 O2 F14",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy": -162.30685933,
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"energy_uncorrected": -136.41685933,
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"updated_at": "2021-11-28T01:37:07.837000Z",
"spacegroup": 8
},
{
"id": "mp-1196242",
"created_at": "2022-09-04T14:45:36.700535Z",
"structure_string": "Dy6 Al4 Ni12 H18\n1.0\n-4.580748 4.580748 4.580748\n4.580748 -4.580748 4.580748\n4.580748 4.580748 -4.580748\nDy Al Ni H\n6 4 12 18\ndirect\n0.730255 0.730255 0.000000 Dy\n0.269745 0.000000 0.269745 Dy\n0.000000 0.269745 0.269745 Dy\n0.269745 0.269745 0.000000 Dy\n0.730255 0.000000 0.730255 Dy\n0.000000 0.730255 0.730255 Dy\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.337906 0.337906 0.675811 Ni\n0.662094 0.000000 0.337906 Ni\n0.000000 0.662094 0.337906 Ni\n0.662094 0.337906 0.000000 Ni\n0.337906 0.675811 0.337906 Ni\n0.000000 0.337906 0.662094 Ni\n0.337906 0.662094 0.000000 Ni\n0.337906 0.000000 0.662094 Ni\n0.675811 0.337906 0.337906 Ni\n0.662094 0.662094 0.324189 Ni\n0.662094 0.324189 0.662094 Ni\n0.324189 0.662094 0.662094 Ni\n0.000000 0.000000 0.736195 H\n0.000000 0.736195 0.000000 H\n0.736195 0.000000 0.000000 H\n0.263805 0.263805 0.263805 H\n0.000000 0.000000 0.263805 H\n0.000000 0.263805 0.000000 H\n0.263805 0.000000 0.000000 H\n0.736195 0.736195 0.736195 H\n0.500000 0.750000 0.250000 H\n0.250000 0.750000 0.500000 H\n0.250000 0.500000 0.750000 H\n0.500000 0.250000 0.750000 H\n0.750000 0.500000 0.250000 H\n0.750000 0.250000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 40,
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"elements": [
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"Al",
"Ni",
"H"
],
"chemical_system": "Al-Dy-H-Ni",
"density": 7.797419620537966,
"density_atomic": 0.10403771329779604,
"volume": 384.4759629184138,
"volume_molar": 5.78842091882807,
"formula_full": "Dy6 Al4 Ni12 H18",
"formula_reduced": "Dy3Al2(Ni2H3)3",
"formula_anonymous": "A2B3C6D9",
"energy": -191.92142107,
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"updated_at": "2021-11-28T01:37:05.646000Z",
"spacegroup": 229
},
{
"id": "mp-758607",
"created_at": "2022-09-04T14:45:36.702318Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.930845 0.000000 0.000000\n0.000000 6.860282 0.000000\n0.000000 0.000000 9.684071\nLi Co Si O\n4 4 4 16\ndirect\n0.395041 0.777166 0.616139 Li\n0.604959 0.277166 0.883861 Li\n0.104959 0.222834 0.116139 Li\n0.895041 0.722834 0.383861 Li\n0.011038 0.068254 0.512246 Co\n0.988962 0.568254 0.987754 Co\n0.488962 0.931746 0.012246 Co\n0.511038 0.431746 0.487754 Co\n0.933613 0.480166 0.652320 Si\n0.066387 0.980166 0.847680 Si\n0.566387 0.519834 0.152320 Si\n0.433613 0.019834 0.347680 Si\n0.738921 0.636321 0.566884 O\n0.800741 0.278093 0.581022 O\n0.254035 0.507982 0.621821 O\n0.136299 0.978040 0.683982 O\n0.863701 0.478040 0.816018 O\n0.745965 0.007982 0.878179 O\n0.199259 0.778093 0.918978 O\n0.261079 0.136321 0.933116 O\n0.761079 0.363679 0.066884 O\n0.699259 0.721907 0.081022 O\n0.245965 0.492018 0.121821 O\n0.363701 0.021960 0.183982 O\n0.636299 0.521960 0.316018 O\n0.754035 0.992018 0.378179 O\n0.300741 0.221907 0.418978 O\n0.238921 0.863679 0.433116 O\n",
"nsites": 28,
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"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.2027828384774772,
"density_atomic": 0.08547453511775047,
"volume": 327.5829457443314,
"volume_molar": 7.045537892313597,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy": -201.21959006,
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"updated_at": "2021-11-28T01:37:07.489000Z",
"spacegroup": 19
},
{
"id": "mp-1175149",
"created_at": "2022-09-04T14:45:36.711837Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.684781 -0.258603 -1.581674\n0.129932 5.757884 -1.468949\n0.113313 0.076170 6.470093\nLi Mn Co O\n7 4 1 12\ndirect\n0.170909 0.157917 0.648299 Li\n0.833333 0.333333 0.333333 Li\n0.495757 0.508749 0.018367 Li\n0.165270 0.662677 0.654166 Li\n0.833333 0.833333 0.333333 Li\n0.501396 0.003990 0.012500 Li\n0.333333 0.833333 0.333333 Li\n0.010482 0.002516 0.002996 Mn\n0.656186 0.664151 0.663670 Mn\n0.660704 0.163341 0.659708 Mn\n0.005964 0.503325 0.006959 Mn\n0.333333 0.333332 0.333333 Co\n0.912812 0.938124 0.674841 O\n0.578998 0.099047 0.349533 O\n0.250016 0.276859 0.015492 O\n0.892929 0.410168 0.681506 O\n0.567698 0.568819 0.353297 O\n0.214491 0.733642 0.989605 O\n0.416651 0.389809 0.651176 O\n0.087669 0.567620 0.317135 O\n0.753855 0.728542 0.991826 O\n0.452176 0.933025 0.677062 O\n0.098969 0.097848 0.313369 O\n0.773738 0.256498 0.985162 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.035024440844702,
"density_atomic": 0.11231017829549367,
"volume": 213.6938999139936,
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"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
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"spacegroup": 2
},
{
"id": "mp-1179137",
"created_at": "2022-09-04T14:45:36.784493Z",
"structure_string": "Tc2 I12 O4\n1.0\n7.446035 0.000000 0.000000\n-0.006446 9.795191 0.000000\n-0.975351 -0.067604 9.801555\nTc I O\n2 12 4\ndirect\n0.507636 0.485517 0.998107 Tc\n0.003095 0.011228 0.494600 Tc\n0.549659 0.477260 0.728130 I\n0.028051 0.019949 0.221144 I\n0.510026 0.489051 0.269956 I\n0.006484 0.004938 0.766298 I\n0.390967 0.230201 0.987271 I\n0.556584 0.769874 0.001512 I\n0.909329 0.272080 0.494359 I\n0.052827 0.729463 0.493428 I\n0.857765 0.401237 0.025083 I\n0.193909 0.637719 0.955898 I\n0.685134 0.863653 0.448822 I\n0.351004 0.100304 0.509410 I\n0.479038 0.034876 0.661622 O\n0.973980 0.470507 0.180582 O\n0.971550 0.514666 0.889685 O\n0.472961 0.987475 0.374094 O\n",
"nsites": 18,
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"elements": [
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"density": 4.141248022311256,
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"formula_full": "Tc2 I12 O4",
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},
{
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