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{
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"results": [
{
"id": "mp-1173223",
"created_at": "2022-09-04T14:45:09.817916Z",
"structure_string": "Sr6 Y4 Fe2 Cu6 Bi2 O24\n1.0\n5.772165 0.000000 0.000000\n0.000000 10.615526 0.000000\n0.000000 5.303266 10.514042\nSr Y Fe Cu Bi O\n6 4 2 6 2 24\ndirect\n0.750000 0.481354 0.414047 Sr\n0.250000 0.518646 0.585953 Sr\n0.250000 0.412222 0.200654 Sr\n0.250000 0.076056 0.753392 Sr\n0.750000 0.923944 0.246608 Sr\n0.750000 0.587778 0.799346 Sr\n0.750000 0.705463 0.025339 Y\n0.250000 0.734064 0.269257 Y\n0.250000 0.294537 0.974661 Y\n0.750000 0.265936 0.730743 Y\n0.750000 0.308430 0.226756 Fe\n0.250000 0.691570 0.773244 Fe\n0.250000 0.003602 0.042152 Cu\n0.250000 0.762726 0.987713 Cu\n0.250000 0.276077 0.477342 Cu\n0.750000 0.723923 0.522658 Cu\n0.750000 0.237274 0.012287 Cu\n0.750000 0.996398 0.957848 Cu\n0.250000 0.905957 0.480001 Bi\n0.750000 0.094043 0.519999 Bi\n0.750000 0.961382 0.425517 O\n0.750000 0.503598 0.187306 O\n0.021209 0.291886 0.594671 O\n0.750000 0.033650 0.783405 O\n0.974188 0.302378 0.100129 O\n0.987190 0.174555 0.922174 O\n0.982701 0.245629 0.368169 O\n0.017299 0.754371 0.631831 O\n0.250000 0.499450 0.354984 O\n0.012810 0.825445 0.077826 O\n0.025812 0.697622 0.899871 O\n0.250000 0.966350 0.216595 O\n0.978791 0.708114 0.405329 O\n0.482701 0.754371 0.631831 O\n0.250000 0.496402 0.812694 O\n0.487190 0.825445 0.077826 O\n0.474188 0.697622 0.899871 O\n0.250000 0.038618 0.574483 O\n0.521209 0.708114 0.405329 O\n0.478791 0.291886 0.594671 O\n0.525812 0.302378 0.100129 O\n0.512810 0.174555 0.922174 O\n0.517299 0.245629 0.368169 O\n0.750000 0.500550 0.645016 O\n",
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"volume": 644.2433776335087,
"volume_molar": 8.817555235924603,
"formula_full": "Sr6 Y4 Fe2 Cu6 Bi2 O24",
"formula_reduced": "Sr3Y2FeCu3BiO12",
"formula_anonymous": "ABC2D3E3F12",
"energy": -300.18352383,
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"updated_at": "2021-11-28T01:36:47.556000Z",
"spacegroup": 11
},
{
"id": "mp-1249484",
"created_at": "2022-09-04T14:43:24.714532Z",
"structure_string": "K2 Mg6 Al2 Si6 O20 F4\n1.0\n14.146969 -1.407588 -0.608625\n2.853451 5.016419 -0.608625\n0.376691 0.662229 7.161643\nK Mg Al Si O F\n2 6 2 6 20 4\ndirect\n0.003837 0.479801 0.059419 K\n0.503837 0.512526 0.940581 K\n0.979681 0.174456 0.632620 Mg\n0.097349 0.599838 0.596855 Mg\n0.336874 0.445464 0.600565 Mg\n0.479681 0.866181 0.367380 Mg\n0.597349 0.205464 0.403145 Mg\n0.836874 0.880788 0.399435 Mg\n0.269145 0.428558 0.218581 Al\n0.769145 0.033151 0.781419 Al\n0.267903 0.922763 0.246287 Si\n0.170597 0.804261 0.928574 Si\n0.304651 0.946164 0.643228 Si\n0.670597 0.854547 0.071426 Si\n0.804651 0.444534 0.356772 Si\n0.767903 0.541432 0.753713 Si\n0.913608 0.445503 0.430762 O\n0.339454 0.086334 0.214660 O\n0.170011 0.009643 0.094192 O\n0.340130 0.624554 0.204031 O\n0.308475 0.188718 0.736982 O\n0.214676 0.510851 0.436528 O\n0.182775 0.545327 0.032533 O\n0.272367 0.758331 0.790516 O\n0.223119 0.994475 0.460623 O\n0.572894 0.973225 0.209487 O\n0.413608 0.727282 0.569238 O\n0.808475 0.194332 0.263018 O\n0.682775 0.089122 0.967467 O\n0.772367 0.696935 0.209484 O\n0.839454 0.234757 0.785340 O\n0.723119 0.559286 0.539377 O\n0.670011 0.650336 0.905808 O\n0.840130 0.695188 0.795969 O\n0.714676 0.059798 0.563472 O\n0.072894 0.880988 0.790513 O\n0.059015 0.359657 0.714899 F\n0.973440 0.869841 0.485359 F\n0.473440 0.183279 0.514641 F\n0.559015 0.522312 0.285101 F\n",
"nsites": 40,
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"elements": [
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"Al",
"Si",
"O",
"F"
],
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"density_atomic": 0.07366069288239187,
"volume": 543.0304608166638,
"volume_molar": 8.175514680014034,
"formula_full": "K2 Mg6 Al2 Si6 O20 F4",
"formula_reduced": "KMg3AlSi3(O5F)2",
"formula_anonymous": "ABC2D3E3F10",
"energy": -284.09984947000004,
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"updated_at": "2021-11-28T01:36:16.353000Z",
"spacegroup": 4
},
{
"id": "mp-777400",
"created_at": "2022-09-04T14:43:51.830236Z",
"structure_string": "Li1 Mn1 V1 P2 O8 F2\n1.0\n5.180054 0.038951 0.032135\n-0.685291 5.233925 0.055846\n-1.877822 -2.730400 6.596609\nLi Mn V P O F\n1 1 1 2 8 2\ndirect\n0.919864 0.563792 0.172967 Li\n0.507370 0.500660 0.504313 Mn\n0.998967 0.998035 0.993747 V\n0.440804 0.118089 0.758841 P\n0.555229 0.884829 0.242074 P\n0.271586 0.135170 0.910257 O\n0.362245 0.824959 0.602152 O\n0.365810 0.329881 0.665691 O\n0.242109 0.801239 0.132658 O\n0.746663 0.207360 0.893435 O\n0.644763 0.671883 0.335349 O\n0.647829 0.181858 0.392578 O\n0.719810 0.848419 0.086480 O\n0.118469 0.315604 0.246082 F\n0.877537 0.690696 0.751961 F\n",
"nsites": 15,
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"elements": [
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"Mn",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P-V",
"density": 3.140354901390997,
"density_atomic": 0.08324768931719151,
"volume": 180.18518139100283,
"volume_molar": 7.234003501351677,
"formula_full": "Li1 Mn1 V1 P2 O8 F2",
"formula_reduced": "LiMnVP2(O4F)2",
"formula_anonymous": "ABCD2E2F8",
"energy": -114.47293926,
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"updated_at": "2021-11-28T01:36:18.954000Z",
"spacegroup": 1
},
{
"id": "mp-1220995",
"created_at": "2022-09-04T14:45:14.815657Z",
"structure_string": "Na2 Nd2 Ti2 Nb2 O12 F2\n1.0\n-3.613599 3.799198 5.171183\n3.613599 -3.799198 5.171183\n3.613599 3.799198 -5.171183\nNa Nd Ti Nb O F\n2 2 2 2 12 2\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.921322 0.171322 0.750000 O\n0.316529 0.566529 0.750000 O\n0.936735 0.582520 0.765306 O\n0.317214 0.171429 0.734694 O\n0.936735 0.171429 0.354216 O\n0.317214 0.582520 0.145784 O\n0.078678 0.828678 0.250000 O\n0.683471 0.433471 0.250000 O\n0.063265 0.417480 0.234694 O\n0.682787 0.828571 0.265306 O\n0.063265 0.828571 0.645784 O\n0.682787 0.417480 0.854216 O\n0.622518 0.872518 0.750000 F\n0.377483 0.127483 0.250000 F\n",
"nsites": 22,
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"elements": [
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"Nd",
"Ti",
"Nb",
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"F"
],
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"density": 4.946951220620154,
"density_atomic": 0.0774713095379021,
"volume": 283.9760955536283,
"volume_molar": 7.773381908632545,
"formula_full": "Na2 Nd2 Ti2 Nb2 O12 F2",
"formula_reduced": "NaNdTiNbO6F",
"formula_anonymous": "ABCDEF6",
"energy": -185.43659092,
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"spacegroup": 74
},
{
"id": "mp-1198949",
"created_at": "2022-09-04T14:45:15.080229Z",
"structure_string": "P4 H48 Pt2 C24 I4 N12\n1.0\n12.306201 0.000000 0.000000\n0.000000 7.626120 0.000000\n0.000000 6.621068 10.727603\nP H Pt C I N\n4 48 2 24 4 12\ndirect\n0.670189 0.927708 0.449030 P\n0.829811 0.927708 0.949030 P\n0.329811 0.072292 0.550970 P\n0.170189 0.072292 0.050970 P\n0.654339 0.107334 0.221393 H\n0.845661 0.107334 0.721393 H\n0.345661 0.892666 0.778607 H\n0.154339 0.892666 0.278607 H\n0.615259 0.842220 0.294340 H\n0.884741 0.842220 0.794340 H\n0.384741 0.157780 0.705660 H\n0.115259 0.157780 0.205660 H\n0.813730 0.067807 0.518936 H\n0.686270 0.067807 0.018936 H\n0.186270 0.932193 0.481064 H\n0.313730 0.932193 0.981064 H\n0.776693 0.247829 0.360643 H\n0.723307 0.247829 0.860643 H\n0.223307 0.752171 0.639357 H\n0.276693 0.752171 0.139357 H\n0.676968 0.551671 0.552136 H\n0.823032 0.551671 0.052136 H\n0.323032 0.448329 0.447864 H\n0.176968 0.448329 0.947864 H\n0.751612 0.637139 0.638152 H\n0.748388 0.637139 0.138152 H\n0.248388 0.362861 0.361848 H\n0.251612 0.362861 0.861848 H\n0.941240 0.016841 0.226453 H\n0.558760 0.016841 0.726453 H\n0.058760 0.983159 0.773547 H\n0.441240 0.983159 0.273547 H\n0.838585 0.200704 0.197794 H\n0.661415 0.200704 0.697794 H\n0.161415 0.799296 0.802206 H\n0.338585 0.799296 0.302206 H\n0.994667 0.768239 0.447008 H\n0.505333 0.768239 0.947008 H\n0.005333 0.231761 0.552992 H\n0.494667 0.231761 0.052992 H\n0.929977 0.784599 0.567839 H\n0.570023 0.784599 0.067839 H\n0.070023 0.215401 0.432161 H\n0.429977 0.215401 0.932161 H\n0.751989 0.578656 0.370893 H\n0.748011 0.578656 0.870893 H\n0.248011 0.421344 0.629107 H\n0.251989 0.421344 0.129107 H\n0.891258 0.648852 0.330476 H\n0.608742 0.648852 0.830476 H\n0.108742 0.351148 0.669524 H\n0.391258 0.351148 0.169524 H\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.675916 0.948277 0.294278 C\n0.824084 0.948277 0.794278 C\n0.324084 0.051723 0.705722 C\n0.175916 0.051723 0.205722 C\n0.794809 0.085027 0.428611 C\n0.705191 0.085027 0.928611 C\n0.205191 0.914973 0.571389 C\n0.294809 0.914973 0.071389 C\n0.735169 0.667375 0.544096 C\n0.764831 0.667375 0.044096 C\n0.264831 0.332625 0.455904 C\n0.235169 0.332625 0.955904 C\n0.865728 0.042027 0.263562 C\n0.634272 0.042027 0.763562 C\n0.134272 0.957973 0.736438 C\n0.365728 0.957973 0.236438 C\n0.917246 0.802882 0.476238 C\n0.582754 0.802882 0.976238 C\n0.082754 0.197118 0.523762 C\n0.417246 0.197118 0.023762 C\n0.816269 0.685347 0.362992 C\n0.683731 0.685347 0.862992 C\n0.183731 0.314653 0.637008 C\n0.316269 0.314653 0.137008 C\n0.459771 0.603481 0.648791 I\n0.040229 0.603481 0.148791 I\n0.540229 0.396519 0.351209 I\n0.959771 0.396519 0.851209 I\n0.783776 0.897765 0.268281 N\n0.716224 0.897765 0.768281 N\n0.216224 0.102235 0.731719 N\n0.283776 0.102235 0.231719 N\n0.887710 0.018242 0.385226 N\n0.612290 0.018242 0.885226 N\n0.112290 0.981758 0.614774 N\n0.387710 0.981758 0.114774 N\n0.836163 0.653205 0.487010 N\n0.663837 0.653205 0.987010 N\n0.163837 0.346795 0.512990 N\n0.336163 0.346795 0.012990 N\n",
"nsites": 94,
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"elements": [
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"Pt",
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"I",
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],
"chemical_system": "C-H-I-N-P-Pt",
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"density_atomic": 0.09336788508083033,
"volume": 1006.7701535557161,
"volume_molar": 6.449905933701422,
"formula_full": "P4 H48 Pt2 C24 I4 N12",
"formula_reduced": "P2H24PtC12(IN3)2",
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"energy": -537.59617377,
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"updated_at": "2021-11-28T01:36:57.827000Z",
"spacegroup": 14
},
{
"id": "mp-1201712",
"created_at": "2022-09-04T14:43:13.369328Z",
"structure_string": "H28 C8 S8 N16 Cl4 O12\n1.0\n5.358927 0.000000 0.000000\n0.000000 10.159083 0.000000\n0.000000 0.000000 17.224718\nH C S N Cl O\n28 8 8 16 4 12\ndirect\n0.285916 0.028550 0.701905 H\n0.214084 0.971450 0.201905 H\n0.714084 0.528550 0.798095 H\n0.785916 0.471450 0.298095 H\n0.457342 0.167207 0.736343 H\n0.042658 0.832793 0.236343 H\n0.542658 0.667207 0.763657 H\n0.957342 0.332793 0.263657 H\n0.902255 0.085013 0.616029 H\n0.597745 0.914987 0.116029 H\n0.097745 0.585013 0.883971 H\n0.402255 0.414987 0.383971 H\n0.196661 0.688662 0.590617 H\n0.303339 0.311338 0.090617 H\n0.803339 0.188662 0.909383 H\n0.696661 0.811338 0.409383 H\n0.230070 0.623021 0.494867 H\n0.269930 0.376979 0.994867 H\n0.769930 0.123021 0.005133 H\n0.730070 0.876979 0.505133 H\n0.139689 0.599085 0.355482 H\n0.360311 0.400915 0.855482 H\n0.860311 0.099085 0.144518 H\n0.639689 0.900915 0.644518 H\n0.431855 0.622664 0.354623 H\n0.068145 0.377336 0.854623 H\n0.568145 0.122664 0.145377 H\n0.931855 0.877336 0.645377 H\n0.189224 0.210813 0.658415 C\n0.310776 0.789187 0.158415 C\n0.810776 0.710813 0.841585 C\n0.689224 0.289187 0.341585 C\n0.992303 0.388452 0.588909 C\n0.507697 0.611548 0.088909 C\n0.007697 0.888452 0.911091 C\n0.492303 0.111548 0.411091 C\n0.255505 0.376900 0.648071 S\n0.244495 0.623100 0.148071 S\n0.744495 0.876900 0.851929 S\n0.755505 0.123100 0.351929 S\n0.883723 0.545635 0.553912 S\n0.616277 0.454365 0.053912 S\n0.116277 0.045635 0.946088 S\n0.383723 0.954365 0.446088 S\n0.322042 0.128931 0.700651 N\n0.177958 0.871069 0.200651 N\n0.677958 0.628931 0.799349 N\n0.822042 0.371069 0.299349 N\n0.985112 0.179484 0.616077 N\n0.514888 0.820516 0.116077 N\n0.014888 0.679484 0.883923 N\n0.485112 0.320516 0.383923 N\n0.873306 0.279213 0.577012 N\n0.626694 0.720787 0.077012 N\n0.126694 0.779213 0.922988 N\n0.373306 0.220787 0.422988 N\n0.125839 0.636329 0.544221 N\n0.374161 0.363671 0.044221 N\n0.874161 0.136329 0.955779 N\n0.625839 0.863671 0.455779 N\n0.793846 0.684012 0.299102 Cl\n0.706154 0.315988 0.799102 Cl\n0.206154 0.184012 0.200898 Cl\n0.293846 0.815988 0.700898 Cl\n0.733772 0.599596 0.615822 O\n0.766228 0.400404 0.115822 O\n0.266228 0.099596 0.884178 O\n0.233772 0.900404 0.384178 O\n0.778977 0.518636 0.478806 O\n0.721023 0.481364 0.978806 O\n0.221023 0.018636 0.021194 O\n0.278977 0.981364 0.521194 O\n0.298838 0.568718 0.378480 O\n0.201162 0.431282 0.878480 O\n0.701162 0.068718 0.121520 O\n0.798838 0.931282 0.621520 O\n",
"nsites": 76,
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"formula_full": "H28 C8 S8 N16 Cl4 O12",
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},
{
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},
{
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}