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{
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{
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"structure_string": "Li16 V4 P8 O32 F8\n1.0\n10.945369 0.000000 0.000000\n0.000000 6.461838 0.000000\n0.000000 0.034062 10.584063\nLi V P O F\n16 4 8 32 8\ndirect\n0.475926 0.748808 0.960693 Li\n0.524074 0.748808 0.460693 Li\n0.153793 0.728825 0.727076 Li\n0.846207 0.728825 0.227076 Li\n0.245330 0.499612 0.495163 Li\n0.755290 0.501277 0.510182 Li\n0.244710 0.501277 0.010182 Li\n0.754670 0.499612 0.995163 Li\n0.418829 0.494343 0.767131 Li\n0.581171 0.494343 0.267131 Li\n0.661694 0.265438 0.774460 Li\n0.338306 0.265438 0.274460 Li\n0.978314 0.269680 0.538373 Li\n0.021686 0.269680 0.038373 Li\n0.917353 0.031018 0.754790 Li\n0.082647 0.031018 0.254790 Li\n0.253295 0.992564 0.502662 V\n0.748657 0.992750 0.502479 V\n0.251343 0.992750 0.002479 V\n0.746705 0.992564 0.002662 V\n0.007198 0.754631 0.966982 P\n0.992802 0.754631 0.466982 P\n0.667316 0.734431 0.760497 P\n0.332684 0.734431 0.260497 P\n0.171382 0.253794 0.742451 P\n0.828618 0.253794 0.242451 P\n0.508476 0.264252 0.529491 P\n0.491524 0.264252 0.029491 P\n0.917447 0.936695 0.536565 O\n0.082553 0.936695 0.036565 O\n0.730420 0.933149 0.826459 O\n0.269580 0.933149 0.326459 O\n0.699775 0.762039 0.616005 O\n0.300225 0.762039 0.116005 O\n0.126288 0.769915 0.524649 O\n0.873712 0.769915 0.024649 O\n0.006714 0.801372 0.826152 O\n0.993286 0.801372 0.326152 O\n0.530176 0.743762 0.780805 O\n0.469824 0.743762 0.280805 O\n0.936052 0.550318 0.504558 O\n0.063948 0.550318 0.004558 O\n0.728234 0.540142 0.811173 O\n0.271766 0.540142 0.311173 O\n0.234691 0.452021 0.696762 O\n0.765309 0.452021 0.196762 O\n0.432807 0.446254 0.958785 O\n0.567193 0.446254 0.458785 O\n0.035455 0.245940 0.715773 O\n0.964545 0.245940 0.215773 O\n0.510511 0.286045 0.671966 O\n0.489489 0.286045 0.171966 O\n0.624592 0.225192 0.977689 O\n0.375408 0.225192 0.477689 O\n0.201408 0.216536 0.885296 O\n0.798592 0.216536 0.385296 O\n0.232551 0.062155 0.669914 O\n0.767449 0.062155 0.169914 O\n0.417164 0.061132 0.990282 O\n0.582836 0.061132 0.490282 O\n0.365727 0.774481 0.538662 F\n0.634273 0.774481 0.038662 F\n0.264604 0.780481 0.878416 F\n0.735396 0.780481 0.378416 F\n0.771714 0.208833 0.628146 F\n0.228286 0.208833 0.128146 F\n0.866735 0.196977 0.951168 F\n0.133265 0.196977 0.451168 F\n",
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{
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"structure_string": "V8 O12\n1.0\n-0.899840 0.000000 3.668485\n4.646770 -0.000003 2.906353\n-0.000005 12.036362 -0.000002\nV O\n8 12\ndirect\n0.612175 0.327156 0.341024 V\n0.612174 0.827153 0.158977 V\n0.840060 0.288559 0.049753 V\n0.840056 0.788560 0.450248 V\n0.387868 0.172881 0.841025 V\n0.387868 0.672878 0.658973 V\n0.159891 0.211416 0.549818 V\n0.159886 0.711424 0.950181 V\n0.930300 0.086023 0.891683 O\n0.069658 0.413999 0.391735 O\n0.930301 0.586024 0.608317 O\n0.069659 0.914001 0.108265 O\n0.319390 0.041426 0.693780 O\n0.680683 0.458575 0.193764 O\n0.319393 0.541427 0.806221 O\n0.680683 0.958574 0.306236 O\n0.325711 0.318504 0.004900 O\n0.674265 0.181458 0.504972 O\n0.325710 0.818503 0.495100 O\n0.674271 0.681460 0.995030 O\n",
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{
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{
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"structure_string": "Li8 Co4 P4 H4 O20\n1.0\n-1.014808 5.121705 -1.764577\n-0.098096 -0.081514 7.519289\n10.157023 -0.010455 -3.525401\nLi Co P H O\n8 4 4 4 20\ndirect\n0.866879 0.158884 0.241441 Li\n0.867368 0.158819 0.741526 Li\n0.132636 0.841183 0.258475 Li\n0.133115 0.841113 0.758556 Li\n0.606859 0.298423 0.113801 Li\n0.606916 0.298062 0.613710 Li\n0.393088 0.701940 0.386291 Li\n0.393137 0.701571 0.886199 Li\n0.000000 0.500001 0.500000 Co\n0.000001 0.999999 0.000000 Co\n0.000000 0.500000 0.000001 Co\n0.000001 0.000001 0.500000 Co\n0.622916 0.756750 0.164522 P\n0.623210 0.756604 0.664502 P\n0.376792 0.243398 0.335499 P\n0.377082 0.243249 0.835478 P\n0.897665 0.631490 0.348005 H\n0.897801 0.631375 0.847857 H\n0.102194 0.368624 0.152142 H\n0.102338 0.368512 0.651994 H\n0.944621 0.274310 0.082619 O\n0.944640 0.274176 0.582560 O\n0.055363 0.725826 0.417439 O\n0.055376 0.725689 0.917379 O\n0.750815 0.593275 0.132230 O\n0.750961 0.593046 0.632140 O\n0.249041 0.406955 0.367861 O\n0.249183 0.406724 0.867772 O\n0.669685 0.335754 0.325414 O\n0.669975 0.335673 0.825461 O\n0.330022 0.664325 0.174540 O\n0.330317 0.664247 0.674587 O\n0.773754 0.925059 0.305511 O\n0.774241 0.924931 0.805458 O\n0.225762 0.075070 0.194543 O\n0.226243 0.074943 0.694489 O\n0.647808 0.857121 0.059332 O\n0.648022 0.856969 0.559304 O\n0.351982 0.143033 0.440698 O\n0.352188 0.142876 0.940666 O\n",
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"elements": [
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"formula_full": "Li8 Co4 P4 H4 O20",
"formula_reduced": "Li2CoPHO5",
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"updated_at": "2021-11-28T01:37:18.219000Z",
"spacegroup": 2
},
{
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"elements": [
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"chemical_system": "La-P",
"density": 5.093164792301468,
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"volume_molar": 16.67717802868591,
"formula_full": "La1 P1",
"formula_reduced": "LaP",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:25.579000Z",
"spacegroup": 225
},
{
"id": "mp-1054609",
"created_at": "2022-09-04T14:44:18.357697Z",
"structure_string": "Ca3 Sn3 S9\n1.0\n-3.418516 5.921042 0.000000\n-6.837031 0.000000 0.000000\n-3.418516 1.973681 9.584231\nCa Sn S\n3 3 9\ndirect\n0.000000 0.000000 0.000000 Ca\n0.258458 0.258458 0.224624 Ca\n0.741542 0.741542 0.775376 Ca\n0.500000 0.500000 0.500000 Sn\n0.391757 0.391757 0.824727 Sn\n0.608243 0.608243 0.175273 Sn\n0.000000 0.500000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n0.781564 0.271711 0.675014 S\n0.271711 0.271711 0.675014 S\n0.271711 0.781564 0.675014 S\n0.218436 0.728289 0.324986 S\n0.728289 0.728289 0.324986 S\n0.728289 0.218436 0.324986 S\n",
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"elements": [
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"density": 3.273848780077953,
"density_atomic": 0.0386605738174643,
"volume": 387.99217183951856,
"volume_molar": 15.576956483971262,
"formula_full": "Ca3 Sn3 S9",
"formula_reduced": "CaSnS3",
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"updated_at": "2021-11-28T01:36:26.585000Z",
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}
]
}