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{
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"results": [
{
"id": "mp-1182103",
"created_at": "2022-09-04T14:39:58.154099Z",
"structure_string": "Hg4 Pb8 Br12 O8\n1.0\n0.000000 0.000000 -7.854751\n0.000000 -7.365383 3.927376\n-14.850168 0.000000 0.000000\nHg Pb Br O\n4 8 12 8\ndirect\n0.425565 0.330171 0.143669 Hg\n0.095394 0.669829 0.856331 Hg\n0.925565 0.330171 0.356331 Hg\n0.595394 0.669829 0.643669 Hg\n0.306136 0.825272 0.099799 Pb\n0.480864 0.174728 0.900201 Pb\n0.806136 0.825272 0.400201 Pb\n0.980864 0.174728 0.599799 Pb\n0.794875 0.175135 0.076384 Pb\n0.619739 0.824865 0.923616 Pb\n0.294875 0.175135 0.423616 Pb\n0.119739 0.824865 0.576384 Pb\n0.408836 0.545171 0.255402 Br\n0.863665 0.454829 0.744598 Br\n0.908836 0.545171 0.244598 Br\n0.363665 0.454829 0.755402 Br\n0.207430 0.413467 0.999119 Br\n0.793963 0.586533 0.000881 Br\n0.707430 0.413467 0.500881 Br\n0.293963 0.586533 0.499119 Br\n0.017524 0.041394 0.206601 Br\n0.976130 0.958606 0.793399 Br\n0.517524 0.041394 0.293399 Br\n0.476130 0.958606 0.706601 Br\n0.480446 0.149225 0.065490 O\n0.331221 0.850775 0.934510 O\n0.980446 0.149225 0.434510 O\n0.831221 0.850775 0.565490 O\n0.614640 0.874708 0.070751 O\n0.739931 0.125292 0.929249 O\n0.114640 0.874708 0.429249 O\n0.239931 0.125292 0.570751 O\n",
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"formula_full": "Hg4 Pb8 Br12 O8",
"formula_reduced": "HgPb2Br3O2",
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},
{
"id": "mp-735589",
"created_at": "2022-09-04T14:39:49.454764Z",
"structure_string": "Ca4 V8 P12 H4 O48\n1.0\n20.311293 0.000000 0.000000\n0.000000 6.479666 0.000000\n0.000000 6.322075 6.527885\nCa V P H O\n4 8 12 4 48\ndirect\n0.920853 0.794691 0.059356 Ca\n0.579147 0.794691 0.559356 Ca\n0.079147 0.205309 0.940644 Ca\n0.420853 0.205309 0.440644 Ca\n0.903047 0.672525 0.732389 V\n0.596953 0.672525 0.232390 V\n0.096953 0.327475 0.267611 V\n0.403047 0.327475 0.767611 V\n0.789284 0.348987 0.086131 V\n0.710716 0.348987 0.586131 V\n0.210716 0.651013 0.913869 V\n0.289284 0.651013 0.413869 V\n0.878146 0.298794 0.617112 P\n0.621854 0.298794 0.117112 P\n0.121854 0.701206 0.382888 P\n0.378146 0.701206 0.882888 P\n0.747979 0.857672 0.580792 P\n0.752021 0.857672 0.080792 P\n0.252021 0.142328 0.419208 P\n0.247979 0.142328 0.919208 P\n0.949510 0.163574 0.218488 P\n0.550490 0.163574 0.718488 P\n0.050490 0.836426 0.781512 P\n0.449510 0.836426 0.281512 P\n0.943704 0.658958 0.406978 H\n0.556296 0.658958 0.906978 H\n0.056296 0.341042 0.593022 H\n0.443704 0.341042 0.093022 H\n0.894143 0.989823 0.723771 O\n0.605857 0.989823 0.223771 O\n0.105857 0.010177 0.276229 O\n0.394143 0.010177 0.776229 O\n0.927415 0.498051 0.424208 O\n0.572585 0.498051 0.924208 O\n0.072585 0.501949 0.575792 O\n0.427415 0.501949 0.075792 O\n0.899923 0.321302 0.769308 O\n0.600077 0.321302 0.269308 O\n0.100077 0.678698 0.230692 O\n0.399923 0.678698 0.730692 O\n0.808734 0.391592 0.541543 O\n0.691266 0.391592 0.041543 O\n0.191266 0.608408 0.458457 O\n0.308734 0.608408 0.958457 O\n0.799912 0.650434 0.761111 O\n0.700088 0.650434 0.261111 O\n0.200088 0.349566 0.238889 O\n0.299912 0.349566 0.738889 O\n0.788658 0.075286 0.385806 O\n0.711342 0.075286 0.885806 O\n0.211342 0.924714 0.614194 O\n0.288658 0.924714 0.114194 O\n0.702862 0.012258 0.615612 O\n0.797138 0.012258 0.115612 O\n0.297138 0.987742 0.384388 O\n0.202862 0.987742 0.884388 O\n0.701050 0.676141 0.572806 O\n0.798950 0.676141 0.072806 O\n0.298950 0.323859 0.427194 O\n0.201050 0.323859 0.927194 O\n0.920276 0.916395 0.431298 O\n0.579724 0.916395 0.931298 O\n0.079724 0.083605 0.568702 O\n0.420276 0.083605 0.068702 O\n0.894144 0.392541 0.063334 O\n0.605856 0.392541 0.563334 O\n0.105856 0.607459 0.936666 O\n0.394144 0.607459 0.436666 O\n0.978151 0.040219 0.135712 O\n0.521849 0.040219 0.635712 O\n0.021849 0.959781 0.864288 O\n0.478151 0.959781 0.364288 O\n0.998803 0.343895 0.221814 O\n0.501197 0.343895 0.721814 O\n0.001197 0.656105 0.778186 O\n0.498803 0.656105 0.278186 O\n",
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"V",
"P",
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"O"
],
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"density": 3.308045397049281,
"density_atomic": 0.08846080880509638,
"volume": 859.137521198218,
"volume_molar": 6.807693532701516,
"formula_full": "Ca4 V8 P12 H4 O48",
"formula_reduced": "CaV2P3HO12",
"formula_anonymous": "ABC2D3E12",
"energy": -604.05653851,
"energy_per_atom": -7.94811234881579,
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"updated_at": "2021-11-28T01:34:31.943000Z",
"spacegroup": 14
},
{
"id": "mp-1176456",
"created_at": "2022-09-04T14:40:24.041962Z",
"structure_string": "Mn4 Fe4 Co4 P12 O48\n1.0\n5.939364 0.000000 0.000000\n0.000000 9.905906 0.000000\n0.000000 0.030758 14.602701\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.500000 0.780026 0.147430 Mn\n0.500000 0.784645 0.812466 Mn\n0.000000 0.718581 0.647792 Mn\n0.500000 0.283659 0.021374 Mn\n0.500000 0.773974 0.488027 Fe\n0.000000 0.725166 0.987649 Fe\n0.000000 0.722913 0.321590 Fe\n0.500000 0.275983 0.346199 Fe\n0.500000 0.278546 0.683501 Co\n0.000000 0.217014 0.850352 Co\n0.000000 0.222196 0.516469 Co\n0.000000 0.223115 0.182912 Co\n0.000000 0.903734 0.804418 P\n0.000000 0.902551 0.472893 P\n0.000000 0.905239 0.139172 P\n0.500000 0.598476 0.306087 P\n0.500000 0.599778 0.973836 P\n0.500000 0.596224 0.639666 P\n0.000000 0.402362 0.028318 P\n0.000000 0.401083 0.362668 P\n0.000000 0.402536 0.692689 P\n0.500000 0.096937 0.191819 P\n0.500000 0.098019 0.527894 P\n0.500000 0.097313 0.857382 P\n0.500000 0.946373 0.215319 O\n0.500000 0.947955 0.551301 O\n0.500000 0.946557 0.884271 O\n0.000000 0.881955 0.577640 O\n0.000000 0.883407 0.908383 O\n0.000000 0.882694 0.242336 O\n0.201628 0.828694 0.756809 O\n0.798372 0.828694 0.756809 O\n0.199741 0.829354 0.089378 O\n0.800259 0.829354 0.089378 O\n0.201697 0.827298 0.425224 O\n0.798303 0.827298 0.425224 O\n0.704806 0.670464 0.927364 O\n0.295194 0.670464 0.927364 O\n0.704751 0.671556 0.259651 O\n0.295249 0.671556 0.259651 O\n0.699462 0.671818 0.590070 O\n0.300538 0.671818 0.590070 O\n0.500000 0.617604 0.410226 O\n0.500000 0.618287 0.743745 O\n0.500000 0.616890 0.079315 O\n0.000000 0.552042 0.052851 O\n0.000000 0.550941 0.386742 O\n0.000000 0.553686 0.718123 O\n0.500000 0.446845 0.953117 O\n0.500000 0.446876 0.283494 O\n0.500000 0.446590 0.615813 O\n0.000000 0.382887 0.257936 O\n0.000000 0.386710 0.588517 O\n0.000000 0.381618 0.924699 O\n0.199570 0.326393 0.078485 O\n0.800430 0.326393 0.078485 O\n0.202392 0.325398 0.409937 O\n0.797608 0.325398 0.409937 O\n0.203957 0.328145 0.740715 O\n0.796043 0.328145 0.740715 O\n0.703775 0.173551 0.575276 O\n0.296225 0.173551 0.575276 O\n0.702125 0.171713 0.240271 O\n0.297875 0.171713 0.240271 O\n0.704797 0.171355 0.904223 O\n0.295203 0.171355 0.904223 O\n0.500000 0.117934 0.423881 O\n0.500000 0.112685 0.752918 O\n0.500000 0.116631 0.087474 O\n0.000000 0.053971 0.778256 O\n0.000000 0.055253 0.113836 O\n0.000000 0.052931 0.449655 O\n",
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"elements": [
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"P",
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],
"chemical_system": "Co-Fe-Mn-O-P",
"density": 3.5147962390784953,
"density_atomic": 0.08380407923596207,
"volume": 859.1467224080341,
"volume_molar": 7.185975688658094,
"formula_full": "Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -564.11661337,
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"updated_at": "2021-11-28T01:34:51.310000Z",
"spacegroup": 6
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{
"id": "mp-1247257",
"created_at": "2022-09-04T14:43:15.130821Z",
"structure_string": "In3 C24 N18\n1.0\n13.204790 0.024066 -0.003812\n-6.581553 11.399584 0.007624\n-0.001174 0.002034 5.701589\nIn C N\n3 24 18\ndirect\n0.000000 0.997677 0.350830 In\n0.334745 0.667796 0.814756 In\n0.665255 0.333051 0.814756 In\n0.000000 0.631756 0.217884 C\n0.633965 0.001007 0.211495 C\n0.366035 0.367042 0.211495 C\n0.000000 0.711856 0.382281 C\n0.715941 0.000154 0.369350 C\n0.284059 0.284214 0.369350 C\n0.103844 0.643165 0.131245 C\n0.538105 0.897738 0.131828 C\n0.357492 0.462957 0.134469 C\n0.896156 0.539321 0.131245 C\n0.642508 0.105467 0.134469 C\n0.461895 0.359632 0.131828 C\n0.668591 0.667641 0.739107 C\n0.000000 0.329129 0.739618 C\n0.331409 0.999049 0.739107 C\n0.752233 0.751269 0.895180 C\n0.000000 0.244798 0.894716 C\n0.247767 0.999036 0.895180 C\n0.574268 0.679918 0.667567 C\n0.105682 0.424982 0.669479 C\n0.319550 0.892567 0.666706 C\n0.425732 0.105651 0.667567 C\n0.680450 0.573016 0.666706 C\n0.894318 0.319301 0.669479 C\n0.000000 0.778537 0.518526 N\n0.783567 0.999774 0.502111 N\n0.216433 0.216206 0.502111 N\n0.189236 0.648286 0.058447 N\n0.453243 0.814155 0.066602 N\n0.356657 0.547525 0.072113 N\n0.810764 0.459050 0.058447 N\n0.643343 0.190868 0.072113 N\n0.546757 0.360913 0.066602 N\n0.819646 0.818915 0.028011 N\n0.000000 0.176406 0.026090 N\n0.180354 0.999269 0.028011 N\n0.495722 0.692972 0.608354 N\n0.196019 0.505765 0.612409 N\n0.306823 0.800996 0.607079 N\n0.504278 0.197250 0.608354 N\n0.693177 0.494173 0.607079 N\n0.803981 0.309746 0.612409 N\n",
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{
"id": "mp-1203691",
"created_at": "2022-09-04T14:39:14.337595Z",
"structure_string": "Fe7 Sb10 Br8 O18\n1.0\n10.120841 0.000000 0.000000\n4.324349 9.202427 0.000000\n4.455540 1.312809 9.224862\nFe Sb Br O\n7 10 8 18\ndirect\n0.854405 0.734558 0.699637 Fe\n0.145595 0.265442 0.300363 Fe\n0.517006 0.638305 0.868223 Fe\n0.482994 0.361695 0.131777 Fe\n0.158392 0.532691 0.405450 Fe\n0.841608 0.467309 0.594550 Fe\n0.500000 0.000000 0.000000 Fe\n0.165809 0.914876 0.521255 Sb\n0.834191 0.085124 0.478745 Sb\n0.170944 0.860264 0.133680 Sb\n0.829056 0.139736 0.866320 Sb\n0.481767 0.673180 0.230339 Sb\n0.518233 0.326820 0.769661 Sb\n0.823499 0.431734 0.966134 Sb\n0.176501 0.568266 0.033866 Sb\n0.813460 0.788361 0.348029 Sb\n0.186540 0.211639 0.651971 Sb\n0.141237 0.556933 0.682953 Br\n0.858763 0.443067 0.317047 Br\n0.522156 0.642099 0.606823 Br\n0.477844 0.357901 0.393177 Br\n0.782210 0.781051 0.986721 Br\n0.217790 0.218949 0.013279 Br\n0.567245 0.934855 0.716329 Br\n0.432755 0.065145 0.283671 Br\n0.759693 0.562227 0.795069 O\n0.240307 0.437773 0.204931 O\n0.061921 0.086223 0.388776 O\n0.938079 0.913777 0.611224 O\n0.905923 0.654707 0.497611 O\n0.094077 0.345293 0.502389 O\n0.567081 0.547450 0.074850 O\n0.432919 0.452550 0.925150 O\n0.246790 0.699882 0.293394 O\n0.753210 0.300118 0.706606 O\n0.597610 0.150122 0.906898 O\n0.402390 0.849878 0.093102 O\n0.022592 0.730376 0.187566 O\n0.977408 0.269624 0.812434 O\n0.872469 0.956497 0.346663 O\n0.127531 0.043503 0.653337 O\n0.281624 0.721826 0.980704 O\n0.718376 0.278174 0.019296 O\n",
"nsites": 43,
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"elements": [
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],
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"formula_full": "Fe7 Sb10 Br8 O18",
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{
"id": "mp-622000",
"created_at": "2022-09-04T14:41:52.183777Z",
"structure_string": "Cs6 Sb4 N6 O18 F12\n1.0\n3.830167 11.235959 0.000000\n-3.830167 11.235959 0.000000\n0.000000 0.055347 9.983000\nCs Sb N O F\n6 4 6 18 12\ndirect\n0.443873 0.181006 0.340453 Cs\n0.556127 0.818994 0.659547 Cs\n0.181006 0.443873 0.840453 Cs\n0.500000 0.500000 0.500000 Cs\n0.818994 0.556127 0.159547 Cs\n0.500000 0.500000 0.000000 Cs\n0.263639 0.964036 0.282806 Sb\n0.035964 0.736361 0.217194 Sb\n0.964036 0.263639 0.782806 Sb\n0.736361 0.035964 0.717194 Sb\n0.116357 0.883643 0.750000 N\n0.050605 0.321037 0.504656 N\n0.883643 0.116357 0.250000 N\n0.949395 0.678963 0.495344 N\n0.321037 0.050605 0.004656 N\n0.678963 0.949395 0.995344 N\n0.241768 0.849496 0.790573 O\n0.097562 0.286205 0.380852 O\n0.286205 0.097562 0.880852 O\n0.150504 0.758232 0.709427 O\n0.163664 0.262077 0.593154 O\n0.053554 0.946446 0.250000 O\n0.587356 0.109253 0.962726 O\n0.849496 0.241768 0.290573 O\n0.836336 0.737923 0.406846 O\n0.758232 0.150504 0.209427 O\n0.262077 0.163664 0.093154 O\n0.412644 0.890747 0.037274 O\n0.902438 0.713795 0.619148 O\n0.737923 0.836336 0.906846 O\n0.109253 0.587356 0.462726 O\n0.890747 0.412644 0.537274 O\n0.946446 0.053554 0.750000 O\n0.713795 0.902438 0.119148 O\n0.920858 0.257434 0.974306 F\n0.257434 0.920858 0.474306 F\n0.521947 0.113256 0.658773 F\n0.447916 0.696564 0.250045 F\n0.113256 0.521947 0.158773 F\n0.742566 0.079142 0.525694 F\n0.696564 0.447916 0.750045 F\n0.478053 0.886744 0.341227 F\n0.552084 0.303436 0.749955 F\n0.886744 0.478053 0.841227 F\n0.303436 0.552084 0.249955 F\n0.079142 0.742566 0.025694 F\n",
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"formula_full": "Cs6 Sb4 N6 O18 F12",
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