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"results": [
{
"id": "mp-1185717",
"created_at": "2022-09-04T14:46:56.373447Z",
"structure_string": "Mg16 Al12 W1\n1.0\n7.711180 -4.452052 3.148076\n-0.157324 8.449949 2.891168\n-7.396533 -4.088729 2.891168\nMg Al W\n16 12 1\ndirect\n0.991928 0.999999 0.999999 Mg\n0.008665 0.359292 0.000000 Mg\n0.582369 0.280813 0.000000 Mg\n0.318862 0.605431 0.000000 Mg\n0.680625 0.678042 0.277654 Mg\n0.582370 0.000000 0.280813 Mg\n0.002583 0.599611 0.321958 Mg\n0.008665 0.999999 0.359292 Mg\n0.713432 0.394570 0.394570 Mg\n0.402972 0.722348 0.400391 Mg\n0.002582 0.321958 0.599611 Mg\n0.318862 0.000000 0.605430 Mg\n0.649371 0.640706 0.640706 Mg\n0.680625 0.277654 0.678042 Mg\n0.301556 0.719186 0.719187 Mg\n0.402972 0.400390 0.722349 Mg\n0.646666 0.807926 0.999999 Al\n0.813001 0.619109 0.000000 Al\n0.367544 0.363222 0.181889 Al\n0.185654 0.818111 0.181334 Al\n0.838740 0.192073 0.192074 Al\n0.367544 0.181889 0.363222 Al\n0.193891 0.380892 0.380891 Al\n0.813000 0.000001 0.619109 Al\n0.004322 0.818667 0.636779 Al\n0.646666 0.000000 0.807926 Al\n0.004323 0.636779 0.818667 Al\n0.185655 0.181334 0.818111 Al\n0.284559 0.000001 0.000000 W\n",
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"spacegroup": 160
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{
"id": "mp-1199824",
"created_at": "2022-09-04T14:48:00.613410Z",
"structure_string": "Ga6 P12 O62\n1.0\n-8.705531 0.000000 0.000000\n-4.352766 -7.547885 0.000000\n-0.030735 0.000000 17.288052\nGa P O\n6 12 62\ndirect\n0.997040 0.002287 0.062109 Ga\n0.999327 0.997713 0.562109 Ga\n0.666742 0.666379 0.929171 Ga\n0.333121 0.333621 0.429171 Ga\n0.667149 0.666851 0.202686 Ga\n0.334000 0.333149 0.702686 Ga\n0.541250 0.431923 0.829392 P\n0.432754 0.026938 0.829516 P\n0.027435 0.540346 0.829603 P\n0.973173 0.568077 0.329392 P\n0.459692 0.973062 0.329516 P\n0.567782 0.459654 0.329603 P\n0.678388 0.394980 0.065452 P\n0.392695 0.926428 0.065302 P\n0.926528 0.680842 0.064917 P\n0.073368 0.605020 0.565452 P\n0.319123 0.073572 0.565302 P\n0.607370 0.319158 0.564917 P\n0.399683 0.478189 0.767093 O\n0.478935 0.122551 0.767265 O\n0.123083 0.399129 0.767192 O\n0.877872 0.521811 0.267093 O\n0.601486 0.877449 0.267265 O\n0.522211 0.600871 0.267192 O\n0.733867 0.302356 0.800961 O\n0.303223 0.964141 0.801234 O\n0.963697 0.733368 0.801465 O\n0.036224 0.697644 0.300961 O\n0.267364 0.035859 0.301234 O\n0.697065 0.266632 0.301465 O\n0.517224 0.331801 0.898978 O\n0.331350 0.151088 0.899024 O\n0.151285 0.517081 0.899034 O\n0.849025 0.668199 0.398978 O\n0.482438 0.848912 0.399024 O\n0.668366 0.482919 0.399034 O\n0.523371 0.604963 0.860842 O\n0.605768 0.871545 0.860950 O\n0.871716 0.522794 0.860824 O\n0.128333 0.395037 0.360842 O\n0.477314 0.128455 0.360950 O\n0.394511 0.477206 0.360824 O\n0.735034 0.451367 0.991927 O\n0.451592 0.813124 0.991957 O\n0.812739 0.735431 0.991655 O\n0.186400 0.548633 0.491927 O\n0.264716 0.186876 0.491957 O\n0.548170 0.264569 0.491655 O\n0.775415 0.186093 0.066522 O\n0.183874 0.036123 0.066329 O\n0.036967 0.779476 0.065170 O\n0.961509 0.813907 0.566522 O\n0.219996 0.963877 0.566329 O\n0.816443 0.220524 0.565170 O\n0.730982 0.454638 0.139427 O\n0.453821 0.815860 0.139692 O\n0.815711 0.731543 0.139319 O\n0.185621 0.545362 0.639427 O\n0.269681 0.184140 0.639692 O\n0.547254 0.268457 0.639319 O\n0.475688 0.466666 0.066139 O\n0.462942 0.059136 0.065721 O\n0.058478 0.477778 0.065494 O\n0.942353 0.533335 0.566139 O\n0.522078 0.940864 0.565721 O\n0.536256 0.522222 0.565494 O\n0.094852 0.899666 0.900431 O\n0.904461 0.998635 0.914277 O\n0.008223 0.089473 0.914559 O\n0.994518 0.100334 0.400431 O\n0.903096 0.001365 0.414277 O\n0.097696 0.910527 0.414559 O\n0.767119 0.093515 0.201033 O\n0.092131 0.144014 0.200156 O\n0.141347 0.763195 0.200713 O\n0.860634 0.906485 0.701033 O\n0.236145 0.855986 0.700156 O\n0.904543 0.236805 0.700713 O\n0.331958 0.335153 0.108367 O\n0.667111 0.664847 0.608367 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "Ga-O-P",
"density": 2.6048742966147422,
"density_atomic": 0.07042443733996606,
"volume": 1135.9693172102886,
"volume_molar": 8.55120890910181,
"formula_full": "Ga6 P12 O62",
"formula_reduced": "Ga3P6O31",
"formula_anonymous": "A3B6C31",
"energy": -459.75297704,
"energy_per_atom": -5.746912213,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:25.770000Z",
"spacegroup": 9
},
{
"id": "mp-557055",
"created_at": "2022-09-04T14:41:58.168173Z",
"structure_string": "Cu2 Cl2 F20\n1.0\n9.312312 0.000000 0.000000\n0.000000 5.148387 0.000000\n0.000000 1.771659 7.684736\nCu Cl F\n2 2 20\ndirect\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cl\n0.500000 0.000000 0.000000 Cl\n0.096957 0.408488 0.841774 F\n0.596957 0.091512 0.158226 F\n0.903043 0.591512 0.158226 F\n0.403043 0.908488 0.841774 F\n0.097743 0.785411 0.974026 F\n0.597743 0.714589 0.025974 F\n0.902257 0.214589 0.025974 F\n0.402257 0.285411 0.974026 F\n0.120656 0.341064 0.154097 F\n0.620656 0.158936 0.845903 F\n0.879344 0.658936 0.845903 F\n0.379344 0.841064 0.154097 F\n0.104320 0.780451 0.408777 F\n0.604320 0.719549 0.591223 F\n0.895680 0.219549 0.591223 F\n0.395680 0.280451 0.408777 F\n0.157918 0.112452 0.588387 F\n0.657918 0.387548 0.411613 F\n0.842082 0.887548 0.411613 F\n0.342082 0.612452 0.588387 F\n",
"nsites": 24,
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"elements": [
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"Cl",
"F"
],
"chemical_system": "Cl-Cu-F",
"density": 2.6049163454854716,
"density_atomic": 0.06514087473188163,
"volume": 368.4322646692028,
"volume_molar": 9.244795659847975,
"formula_full": "Cu2 Cl2 F20",
"formula_reduced": "CuClF10",
"formula_anonymous": "ABC10",
"energy": -74.98418312999999,
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"updated_at": "2021-11-28T01:35:28.800000Z",
"spacegroup": 14
},
{
"id": "mp-3417",
"created_at": "2022-09-04T14:42:06.777199Z",
"structure_string": "Ca4 B8 O16\n1.0\n4.331570 0.000000 0.000000\n0.000000 6.353957 0.000000\n0.000000 0.000000 11.645333\nCa B O\n4 8 16\ndirect\n0.780480 0.250000 0.500000 Ca\n0.719520 0.750000 0.000000 Ca\n0.219520 0.750000 0.500000 Ca\n0.280480 0.250000 0.000000 Ca\n0.326381 0.124595 0.307674 B\n0.326381 0.375405 0.692326 B\n0.173619 0.624595 0.192326 B\n0.173619 0.875405 0.807674 B\n0.826381 0.124595 0.192326 B\n0.826381 0.375405 0.807674 B\n0.673619 0.624595 0.307674 B\n0.673619 0.875405 0.692326 B\n0.851790 0.851140 0.791799 O\n0.851790 0.648860 0.208201 O\n0.648210 0.351140 0.708201 O\n0.648210 0.148860 0.291799 O\n0.726916 0.087173 0.085990 O\n0.726916 0.412827 0.914010 O\n0.773084 0.587173 0.414010 O\n0.773084 0.912827 0.585990 O\n0.273084 0.912827 0.914010 O\n0.273084 0.587173 0.085990 O\n0.226916 0.412827 0.585990 O\n0.226916 0.087173 0.414010 O\n0.148210 0.148860 0.208201 O\n0.148210 0.351140 0.791799 O\n0.351790 0.648860 0.291799 O\n0.351790 0.851140 0.708201 O\n",
"nsites": 28,
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"elements": [
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"B",
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],
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"density": 2.6049209826694146,
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"volume": 320.50995291836705,
"volume_molar": 6.8934144694834965,
"formula_full": "Ca4 B8 O16",
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"formula_anonymous": "AB2C4",
"energy": -227.85261171,
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"spacegroup": 60
},
{
"id": "mp-1104700",
"created_at": "2022-09-04T14:47:18.394909Z",
"structure_string": "K1 Ca1 As1 O12\n1.0\n-3.552756 -7.833449 0.000000\n-3.552756 7.833449 0.000000\n0.000000 0.000000 -3.963583\nK Ca As O\n1 1 1 12\ndirect\n0.287590 0.712410 0.500000 K\n0.630877 0.369123 0.500000 Ca\n0.999518 0.000482 0.000000 As\n0.912829 0.087171 0.716286 O\n0.912829 0.087171 0.283714 O\n0.876313 0.737063 0.000000 O\n0.262937 0.123687 0.000000 O\n0.445933 0.554067 0.842246 O\n0.445933 0.554067 0.157754 O\n0.285876 0.172203 0.500000 O\n0.827797 0.714124 0.500000 O\n0.923333 0.444499 0.837118 O\n0.555501 0.076667 0.162882 O\n0.923333 0.444499 0.162882 O\n0.555501 0.076667 0.837118 O\n",
"nsites": 15,
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"elements": [
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"As",
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],
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"formula_full": "K1 Ca1 As1 O12",
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"energy": -75.28391376,
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{
"id": "mp-555554",
"created_at": "2022-09-04T14:45:31.247253Z",
"structure_string": "K2 Ga2 P8 O24\n1.0\n6.213812 8.496908 0.000000\n-6.213812 8.496908 0.000000\n0.000000 0.983682 5.127514\nK Ga P O\n2 2 8 24\ndirect\n0.407052 0.407052 0.739738 K\n0.592948 0.592948 0.260262 K\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.799344 0.354992 0.836150 P\n0.068600 0.308842 0.533534 P\n0.308842 0.068600 0.533534 P\n0.645008 0.200656 0.163850 P\n0.354992 0.799344 0.836150 P\n0.691158 0.931400 0.466466 P\n0.931400 0.691158 0.466466 P\n0.200656 0.645008 0.163850 P\n0.426797 0.849401 0.014198 O\n0.399297 0.100390 0.698601 O\n0.430327 0.677293 0.711069 O\n0.150599 0.573203 0.985802 O\n0.573203 0.150599 0.985802 O\n0.912394 0.656724 0.757143 O\n0.215430 0.784570 0.000000 O\n0.569673 0.322707 0.288931 O\n0.600703 0.899610 0.301399 O\n0.708422 0.077358 0.378060 O\n0.322707 0.569673 0.288931 O\n0.899610 0.600703 0.301399 O\n0.849401 0.426797 0.014198 O\n0.077358 0.708422 0.378060 O\n0.157188 0.157188 0.602456 O\n0.100390 0.399297 0.698601 O\n0.677293 0.430327 0.711069 O\n0.291578 0.922642 0.621940 O\n0.784570 0.215430 0.000000 O\n0.343276 0.087606 0.242857 O\n0.656724 0.912394 0.757143 O\n0.842812 0.842812 0.397544 O\n0.922642 0.291578 0.621940 O\n0.087606 0.343276 0.242857 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 2.605042618574818,
"density_atomic": 0.06648851371692216,
"volume": 541.4469054500394,
"volume_molar": 9.057415218573745,
"formula_full": "K2 Ga2 P8 O24",
"formula_reduced": "KGa(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -264.55957711,
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"spacegroup": 12
},
{
"id": "mp-1103940",
"created_at": "2022-09-04T14:44:04.424957Z",
"structure_string": "Li6 P1 Br1 O5\n1.0\n0.000000 4.200380 4.200380\n4.200380 0.000000 4.200380\n4.200380 4.200380 0.000000\nLi P Br O\n6 1 1 5\ndirect\n0.981908 0.518092 0.981908 Li\n0.518092 0.981908 0.981908 Li\n0.518092 0.518092 0.981908 Li\n0.518092 0.981908 0.518092 Li\n0.981908 0.981908 0.518092 Li\n0.981908 0.518092 0.518092 Li\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Br\n0.822303 0.392566 0.392566 O\n0.392566 0.822303 0.392566 O\n0.392566 0.392566 0.392566 O\n0.392566 0.392566 0.822303 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Br-Li-O-P",
"density": 2.605044182754809,
"density_atomic": 0.08770969702906382,
"volume": 148.21622283898975,
"volume_molar": 6.865991975784025,
"formula_full": "Li6 P1 Br1 O5",
"formula_reduced": "Li6PBrO5",
"formula_anonymous": "ABC5D6",
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{
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