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{
"id": "mp-570607",
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"structure_string": "Dy20 C8 I36\n1.0\n17.456516 0.000000 0.000000\n0.000000 10.924814 0.000000\n0.000000 7.495562 12.156155\nDy C I\n20 8 36\ndirect\n0.446584 0.512877 0.747490 Dy\n0.179031 0.301777 0.553857 Dy\n0.654948 0.516894 0.783795 Dy\n0.539391 0.349744 0.033742 Dy\n0.946584 0.487123 0.752510 Dy\n0.820969 0.698223 0.446143 Dy\n0.039391 0.650256 0.466258 Dy\n0.460609 0.650256 0.966258 Dy\n0.057659 0.162542 0.800549 Dy\n0.679031 0.698223 0.946143 Dy\n0.442341 0.162542 0.300549 Dy\n0.845052 0.516894 0.283795 Dy\n0.154948 0.483106 0.716205 Dy\n0.557659 0.837458 0.699451 Dy\n0.942341 0.837458 0.199451 Dy\n0.553416 0.487123 0.252510 Dy\n0.320969 0.301777 0.053857 Dy\n0.345052 0.483106 0.216205 Dy\n0.960609 0.349744 0.533742 Dy\n0.053416 0.512877 0.247490 Dy\n0.469566 0.430415 0.162599 C\n0.084288 0.377331 0.616648 C\n0.530434 0.569585 0.837401 C\n0.584288 0.622669 0.883352 C\n0.030434 0.430415 0.662599 C\n0.415712 0.377331 0.116648 C\n0.969566 0.569585 0.337401 C\n0.915712 0.622669 0.383352 C\n0.434796 0.588999 0.345178 I\n0.180775 0.004549 0.749696 I\n0.058459 0.815821 0.043127 I\n0.807129 0.594015 0.857924 I\n0.303058 0.594954 0.832654 I\n0.692871 0.594015 0.357924 I\n0.682955 0.799464 0.560523 I\n0.433791 0.201490 0.943756 I\n0.317045 0.200536 0.439477 I\n0.192871 0.405985 0.142076 I\n0.441541 0.815821 0.543127 I\n0.196942 0.594954 0.332654 I\n0.826617 0.219081 0.466479 I\n0.803058 0.405046 0.667346 I\n0.673383 0.219081 0.966479 I\n0.941541 0.184179 0.956873 I\n0.937363 0.036258 0.734290 I\n0.934796 0.411001 0.154822 I\n0.062637 0.963742 0.265710 I\n0.173383 0.780919 0.533521 I\n0.562637 0.036258 0.234290 I\n0.817045 0.799464 0.060523 I\n0.326617 0.780919 0.033521 I\n0.307129 0.405985 0.642076 I\n0.182955 0.200536 0.939477 I\n0.565204 0.411001 0.654822 I\n0.319225 0.004549 0.249696 I\n0.558459 0.184179 0.456873 I\n0.566209 0.798510 0.056244 I\n0.933791 0.798510 0.556244 I\n0.680775 0.995451 0.750304 I\n0.066209 0.201490 0.443756 I\n0.065204 0.588999 0.845178 I\n0.819225 0.995451 0.250304 I\n0.437363 0.963742 0.765710 I\n0.696942 0.405046 0.167346 I\n",
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"volume": 2318.2904782813303,
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"formula_full": "Dy20 C8 I36",
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"updated_at": "2021-11-28T01:34:55.642000Z",
"spacegroup": 14
},
{
"id": "mp-36029",
"created_at": "2022-09-04T14:40:16.963987Z",
"structure_string": "Er2 Ag2 S4\n1.0\n-2.692749 2.692749 6.062164\n2.692749 -2.692749 6.062164\n2.692749 2.692749 -6.062164\nEr Ag S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Er\n0.250000 0.750000 0.500000 Er\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.724671 0.724671 0.000000 S\n0.025329 0.525329 0.500000 S\n0.474671 0.974671 0.500000 S\n0.275329 0.275329 0.000000 S\n",
"nsites": 8,
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"elements": [
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"Ag",
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],
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"density": 6.408092136224047,
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"volume": 175.8245113364684,
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"formula_full": "Er2 Ag2 S4",
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"spacegroup": 141
},
{
"id": "mp-1179711",
"created_at": "2022-09-04T14:40:16.968869Z",
"structure_string": "Rb2 Sn4 P6 O24\n1.0\n8.482180 -4.228312 0.000000\n8.482180 4.228312 0.000000\n6.374394 0.000000 7.013779\nRb Sn P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.350227 0.350227 0.350227 Sn\n0.649773 0.649773 0.649773 Sn\n0.844566 0.844566 0.844566 Sn\n0.155434 0.155434 0.155434 Sn\n0.248202 0.962114 0.538188 P\n0.538188 0.248202 0.962114 P\n0.962114 0.538188 0.248202 P\n0.751798 0.037886 0.461812 P\n0.461812 0.751798 0.037886 P\n0.037886 0.461812 0.751798 P\n0.043528 0.968350 0.679225 O\n0.679225 0.043528 0.968350 O\n0.968350 0.679225 0.043528 O\n0.956472 0.031650 0.320775 O\n0.320775 0.956472 0.031650 O\n0.031650 0.320775 0.956472 O\n0.262017 0.126355 0.521198 O\n0.521198 0.262017 0.126355 O\n0.126355 0.521198 0.262017 O\n0.737983 0.873645 0.478802 O\n0.478802 0.737983 0.873645 O\n0.873645 0.478802 0.737983 O\n0.394488 0.771501 0.621133 O\n0.621133 0.394488 0.771501 O\n0.771501 0.621133 0.394488 O\n0.605512 0.228499 0.378867 O\n0.378867 0.605512 0.228499 O\n0.228499 0.378867 0.605512 O\n0.291904 0.973135 0.346106 O\n0.346106 0.291904 0.973135 O\n0.973135 0.346106 0.291904 O\n0.708096 0.026865 0.653894 O\n0.653894 0.708096 0.026865 O\n0.026865 0.653894 0.708096 O\n",
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"elements": [
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"P",
"O"
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"density": 4.0122182902407255,
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"volume": 503.1026247555462,
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"formula_full": "Rb2 Sn4 P6 O24",
"formula_reduced": "RbSn2(PO4)3",
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"energy": -260.6884464,
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"spacegroup": 148
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{
"id": "mp-1038041",
"created_at": "2022-09-04T14:40:16.971057Z",
"structure_string": "Cs1 Mg30 Mn1 O32\n1.0\n8.693829 0.000000 0.000000\n0.000000 8.693829 0.000000\n0.000000 0.000000 8.615017\nCs Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Cs\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259236 0.000000 0.248259 Mg\n0.259236 0.000000 0.751741 Mg\n0.740764 0.000000 0.248259 Mg\n0.740764 0.000000 0.751741 Mg\n0.250927 0.500000 0.250349 Mg\n0.250927 0.500000 0.749651 Mg\n0.749073 0.500000 0.250349 Mg\n0.749073 0.500000 0.749651 Mg\n0.000000 0.259236 0.248259 Mg\n0.000000 0.259236 0.751741 Mg\n0.500000 0.250927 0.250349 Mg\n0.500000 0.250927 0.749651 Mg\n0.000000 0.740764 0.248259 Mg\n0.000000 0.740764 0.751741 Mg\n0.500000 0.749073 0.250349 Mg\n0.500000 0.749073 0.749651 Mg\n0.251174 0.251174 0.000000 Mg\n0.255208 0.255208 0.500000 Mg\n0.748826 0.251174 0.000000 Mg\n0.744792 0.255208 0.500000 Mg\n0.251174 0.748826 0.000000 Mg\n0.255208 0.744792 0.500000 Mg\n0.748826 0.748826 0.000000 Mg\n0.744792 0.744792 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.252823 0.000000 O\n0.000000 0.284969 0.500000 O\n0.500000 0.250978 0.000000 O\n0.500000 0.257095 0.500000 O\n0.000000 0.747177 0.000000 O\n0.000000 0.715031 0.500000 O\n0.500000 0.749022 0.000000 O\n0.500000 0.742905 0.500000 O\n0.248831 0.248831 0.249845 O\n0.248831 0.248831 0.750155 O\n0.751169 0.248831 0.249845 O\n0.751169 0.248831 0.750155 O\n0.248831 0.751169 0.249845 O\n0.248831 0.751169 0.750155 O\n0.751169 0.751169 0.249845 O\n0.751169 0.751169 0.750155 O\n0.000000 0.000000 0.212891 O\n0.000000 0.000000 0.787109 O\n0.500000 0.000000 0.241578 O\n0.500000 0.000000 0.758422 O\n0.000000 0.500000 0.241578 O\n0.000000 0.500000 0.758422 O\n0.500000 0.500000 0.247219 O\n0.500000 0.500000 0.752781 O\n0.252823 0.000000 0.000000 O\n0.284969 0.000000 0.500000 O\n0.747177 0.000000 0.000000 O\n0.715031 0.000000 0.500000 O\n0.250978 0.500000 0.000000 O\n0.257095 0.500000 0.500000 O\n0.749022 0.500000 0.000000 O\n0.742905 0.500000 0.500000 O\n",
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],
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"density": 3.6441411334381377,
"density_atomic": 0.0982882602048205,
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"formula_full": "Cs1 Mg30 Mn1 O32",
"formula_reduced": "CsMg30MnO32",
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"energy": -400.00541975,
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"updated_at": "2021-11-28T01:34:49.411000Z",
"spacegroup": 123
},
{
"id": "mp-571606",
"created_at": "2022-09-04T14:40:19.066910Z",
"structure_string": "Sm4 Mg3 Co2\n1.0\n3.801292 0.000000 0.000000\n0.000000 7.571866 0.000000\n0.000000 2.803748 7.776351\nSm Mg Co\n4 3 2\ndirect\n0.500000 0.602439 0.181241 Sm\n0.500000 0.096492 0.274431 Sm\n0.500000 0.397561 0.818759 Sm\n0.500000 0.903508 0.725569 Sm\n0.000000 0.707595 0.501612 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.292405 0.498388 Mg\n0.000000 0.648361 0.894154 Co\n0.000000 0.351639 0.105846 Co\n",
"nsites": 9,
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"density": 5.8774055042531765,
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"formula_full": "Sm4 Mg3 Co2",
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{
"id": "mp-1175599",
"created_at": "2022-09-04T14:40:16.983790Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.107169 0.000000 0.000000\n-1.603652 5.597337 0.000000\n-1.624707 -0.583604 9.933906\nLi Mn Co O\n9 2 5 16\ndirect\n0.505108 0.125000 0.874820 Li\n0.498879 0.624783 0.871991 Li\n0.498045 0.376020 0.622614 Li\n0.500625 0.874318 0.622719 Li\n0.500637 0.620526 0.374547 Li\n0.498542 0.133514 0.374469 Li\n0.497326 0.876665 0.128919 Li\n0.498989 0.367914 0.131998 Li\n0.000467 0.255301 0.249137 Li\n0.998626 0.003671 0.003853 Mn\n0.003377 0.746474 0.249003 Mn\n0.999207 0.496438 0.002639 Co\n0.997909 0.249868 0.749024 Co\n0.999063 0.744654 0.746671 Co\n0.003340 0.492386 0.492722 Co\n0.993824 0.007263 0.492368 Co\n0.213188 0.801470 0.938390 O\n0.222063 0.300661 0.946729 O\n0.225731 0.063067 0.685989 O\n0.237246 0.559196 0.689841 O\n0.238435 0.319490 0.444143 O\n0.232518 0.810347 0.423762 O\n0.221482 0.570380 0.179244 O\n0.222607 0.042233 0.179690 O\n0.777434 0.434147 0.821341 O\n0.772702 0.937654 0.823564 O\n0.778213 0.690203 0.568143 O\n0.762032 0.194302 0.563775 O\n0.776933 0.930660 0.317859 O\n0.767843 0.462343 0.309617 O\n0.775980 0.191514 0.055139 O\n0.781632 0.697539 0.065280 O\n",
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{
"id": "mp-1094380",
"created_at": "2022-09-04T14:40:16.986311Z",
"structure_string": "Mg2 Ti4\n1.0\n1.439658 -7.748361 0.000000\n1.439658 7.748361 0.000000\n0.000000 0.000000 4.979529\nMg Ti\n2 4\ndirect\n0.109136 0.890864 0.500000 Mg\n0.777482 0.222518 0.500000 Mg\n0.997308 0.002692 0.000000 Ti\n0.337361 0.662639 0.000000 Ti\n0.665147 0.334853 0.000000 Ti\n0.446898 0.553102 0.500000 Ti\n",
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{
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{
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{
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{
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}