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{
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"results": [
{
"id": "mp-1049228",
"created_at": "2022-09-04T14:47:42.924605Z",
"structure_string": "Ho2 Mg2 Sb4 O12\n1.0\n5.595600 0.000000 0.000000\n0.000000 5.860174 0.000000\n0.000000 0.000000 8.290657\nHo Mg Sb O\n2 2 4 12\ndirect\n0.023377 0.680386 0.000000 Ho\n0.523377 0.319614 0.500000 Ho\n0.505598 0.234316 0.000000 Mg\n0.005598 0.765684 0.500000 Mg\n0.009170 0.235203 0.751563 Sb\n0.009170 0.235203 0.248437 Sb\n0.509170 0.764797 0.251563 Sb\n0.509170 0.764797 0.748437 Sb\n0.150133 0.155791 0.500000 O\n0.165421 0.926520 0.820935 O\n0.165421 0.926520 0.179065 O\n0.313498 0.427973 0.832513 O\n0.313498 0.427973 0.167487 O\n0.351861 0.673836 0.500000 O\n0.650133 0.844209 0.000000 O\n0.665421 0.073480 0.320935 O\n0.665421 0.073480 0.679065 O\n0.813498 0.572027 0.667487 O\n0.813498 0.572027 0.332513 O\n0.851861 0.326164 0.000000 O\n",
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{
"id": "mp-735524",
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"structure_string": "V2 P4 H12 O12\n1.0\n4.088294 6.097059 0.000000\n-4.088294 6.097059 0.000000\n0.000000 4.116123 6.494351\nV P H O\n2 4 12 12\ndirect\n0.758409 0.241591 0.250000 V\n0.241591 0.758409 0.750000 V\n0.432663 0.108689 0.710795 P\n0.891311 0.567337 0.789205 P\n0.567337 0.891311 0.289205 P\n0.108689 0.432663 0.210795 P\n0.086469 0.860392 0.370800 H\n0.139608 0.913531 0.129200 H\n0.913531 0.139608 0.629200 H\n0.860392 0.086469 0.870800 H\n0.455401 0.173579 0.846321 H\n0.826421 0.544599 0.653679 H\n0.544599 0.826421 0.153679 H\n0.173579 0.455401 0.346321 H\n0.298045 0.279753 0.614137 H\n0.720247 0.701955 0.885863 H\n0.701955 0.720247 0.385863 H\n0.279753 0.298045 0.114137 H\n0.645575 0.062561 0.549092 O\n0.937439 0.354425 0.950908 O\n0.354425 0.937439 0.450908 O\n0.062561 0.645575 0.049092 O\n0.671518 0.078440 0.152066 O\n0.921560 0.328482 0.347934 O\n0.328482 0.921560 0.847934 O\n0.078440 0.671518 0.652066 O\n0.043705 0.956295 0.250000 O\n0.956295 0.043705 0.750000 O\n0.559098 0.440902 0.250000 O\n0.440902 0.559098 0.750000 O\n",
"nsites": 30,
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"elements": [
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"P",
"H",
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],
"chemical_system": "H-O-P-V",
"density": 2.204723102651639,
"density_atomic": 0.09266014696729305,
"volume": 323.7637860707185,
"volume_molar": 6.4991703090279795,
"formula_full": "V2 P4 H12 O12",
"formula_reduced": "VP2(HO)6",
"formula_anonymous": "AB2C6D6",
"energy": -184.15886192,
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"updated_at": "2021-11-28T01:38:17.301000Z",
"spacegroup": 15
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{
"id": "mp-1182736",
"created_at": "2022-09-04T14:47:43.071166Z",
"structure_string": "Eu6 C60\n1.0\n-6.271098 6.271098 6.271098\n6.271098 -6.271098 6.271098\n6.271098 6.271098 -6.271098\nEu C\n6 60\ndirect\n0.377242 0.500000 0.877242 Eu\n0.500000 0.877241 0.377242 Eu\n0.122758 0.622758 0.500000 Eu\n0.500000 0.122758 0.622758 Eu\n0.877241 0.377241 0.500000 Eu\n0.622758 0.500000 0.122758 Eu\n0.543560 0.136341 0.407219 C\n0.863659 0.407219 0.270879 C\n0.592781 0.456440 0.863659 C\n0.136341 0.592781 0.729121 C\n0.407219 0.270879 0.863659 C\n0.863659 0.592781 0.456440 C\n0.592781 0.729121 0.136341 C\n0.407219 0.543560 0.136341 C\n0.136341 0.407219 0.543560 C\n0.270879 0.863659 0.407219 C\n0.456440 0.863659 0.592781 C\n0.729121 0.136341 0.592781 C\n0.580902 0.280431 0.414766 C\n0.719569 0.300471 0.134336 C\n0.699529 0.419098 0.833865 C\n0.166135 0.585234 0.865664 C\n0.300471 0.134336 0.719569 C\n0.833865 0.699529 0.419098 C\n0.585234 0.865664 0.166135 C\n0.414766 0.580902 0.280431 C\n0.280431 0.414766 0.580902 C\n0.134336 0.719569 0.300471 C\n0.419098 0.833865 0.699529 C\n0.865664 0.166135 0.585234 C\n0.419098 0.719569 0.585234 C\n0.280431 0.699529 0.865664 C\n0.300471 0.580902 0.166135 C\n0.833865 0.414766 0.134336 C\n0.699529 0.865664 0.280431 C\n0.166135 0.300471 0.580902 C\n0.414766 0.134336 0.833865 C\n0.585234 0.419098 0.719569 C\n0.719569 0.585234 0.419098 C\n0.865664 0.280431 0.699529 C\n0.580902 0.166135 0.300471 C\n0.134336 0.833865 0.414766 C\n0.409868 0.479110 0.572758 C\n0.520890 0.930759 0.093649 C\n0.069241 0.590132 0.162890 C\n0.837110 0.427242 0.906351 C\n0.930759 0.093649 0.520890 C\n0.162890 0.069241 0.590132 C\n0.427242 0.906351 0.837110 C\n0.572758 0.409868 0.479110 C\n0.479110 0.572758 0.409868 C\n0.093649 0.520890 0.930759 C\n0.590132 0.162890 0.069241 C\n0.906351 0.837110 0.427242 C\n0.590132 0.520890 0.427242 C\n0.479110 0.069241 0.906351 C\n0.930759 0.409868 0.837110 C\n0.162890 0.572758 0.093649 C\n0.069241 0.906351 0.479110 C\n0.837110 0.930759 0.409868 C\n0.572758 0.093649 0.162890 C\n0.427242 0.590132 0.520890 C\n0.520890 0.427242 0.590132 C\n0.906351 0.479110 0.069241 C\n0.409868 0.837110 0.930759 C\n0.093649 0.162890 0.572758 C\n",
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"chemical_system": "C-Eu",
"density": 2.7478425638137547,
"density_atomic": 0.06690416906784165,
"volume": 986.4856094853401,
"volume_molar": 9.001144239447134,
"formula_full": "Eu6 C60",
"formula_reduced": "EuC10",
"formula_anonymous": "AB10",
"energy": -573.96196208,
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"updated_at": "2021-11-28T01:38:22.060000Z",
"spacegroup": 204
},
{
"id": "mp-1046678",
"created_at": "2022-09-04T14:47:43.113010Z",
"structure_string": "Zn2 Cr2 P2 O10\n1.0\n-3.634931 0.014146 -4.048018\n3.678620 0.004582 -4.013431\n3.408422 -6.404468 0.001367\nZn Cr P O\n2 2 2 10\ndirect\n0.674849 0.184507 0.222598 Zn\n0.302775 0.819033 0.721604 Zn\n0.995664 0.495330 0.986559 Cr\n0.995636 0.494904 0.486573 Cr\n0.346833 0.843904 0.237289 P\n0.648271 0.142367 0.737877 P\n0.270446 0.703359 0.080472 O\n0.790612 0.217561 0.582186 O\n0.209150 0.771105 0.397809 O\n0.721947 0.278341 0.899303 O\n0.338025 0.201473 0.623061 O\n0.290368 0.154054 0.123839 O\n0.697749 0.832922 0.846601 O\n0.656725 0.791524 0.347394 O\n0.083539 0.580872 0.737011 O\n0.909429 0.407486 0.236951 O\n",
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"formula_full": "Zn2 Cr2 P2 O10",
"formula_reduced": "ZnCrPO5",
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{
"id": "mp-1198445",
"created_at": "2022-09-04T14:47:43.221650Z",
"structure_string": "U8 Cl8 O40\n1.0\n10.982040 0.000000 0.000000\n0.000000 5.386918 0.000000\n-9.147214 0.000000 18.898064\nU Cl O\n8 8 40\ndirect\n0.632036 0.698377 0.667641 U\n0.632036 0.801623 0.167641 U\n0.367964 0.301623 0.332359 U\n0.367964 0.198377 0.832359 U\n0.874091 0.423370 0.836070 U\n0.874091 0.076630 0.336070 U\n0.125909 0.576630 0.163930 U\n0.125909 0.923370 0.663930 U\n0.377955 0.526738 0.568654 Cl\n0.377955 0.973262 0.068654 Cl\n0.622045 0.473262 0.431346 Cl\n0.622045 0.026738 0.931346 Cl\n0.130588 0.585639 0.935833 Cl\n0.130588 0.914361 0.435833 Cl\n0.869412 0.414361 0.064167 Cl\n0.869412 0.085639 0.564167 Cl\n0.693696 0.550391 0.607757 O\n0.693696 0.949609 0.107757 O\n0.306304 0.449609 0.392243 O\n0.306304 0.050391 0.892243 O\n0.533372 0.828622 0.711442 O\n0.533372 0.671378 0.211442 O\n0.466628 0.171378 0.288558 O\n0.466628 0.328622 0.788558 O\n0.686258 0.996404 0.645530 O\n0.686258 0.503596 0.145530 O\n0.313742 0.003596 0.354470 O\n0.313742 0.496404 0.854470 O\n0.444444 0.789593 0.562333 O\n0.444444 0.710407 0.062333 O\n0.555556 0.210407 0.437667 O\n0.555556 0.289593 0.937667 O\n0.973386 0.297117 0.792080 O\n0.973386 0.202883 0.292080 O\n0.026614 0.702883 0.207920 O\n0.026614 0.797117 0.707920 O\n0.814296 0.566102 0.897248 O\n0.814296 0.933898 0.397248 O\n0.185704 0.433898 0.102752 O\n0.185704 0.066102 0.602752 O\n0.063383 0.323256 0.940799 O\n0.063383 0.176744 0.440799 O\n0.936617 0.676744 0.059201 O\n0.936617 0.823256 0.559201 O\n0.816811 0.125331 0.856493 O\n0.816811 0.374669 0.356493 O\n0.183189 0.874669 0.143507 O\n0.183189 0.625331 0.643507 O\n0.851922 0.714195 0.780733 O\n0.851922 0.785805 0.280733 O\n0.148078 0.285805 0.219267 O\n0.148078 0.214195 0.719267 O\n0.654981 0.410183 0.724022 O\n0.654981 0.089817 0.224022 O\n0.345019 0.589817 0.275978 O\n0.345019 0.910183 0.775978 O\n",
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{
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{
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"structure_string": "Ba2 Er2 Ag2 S6\n1.0\n2.029142 8.766896 0.000000\n-2.029142 8.766896 0.000000\n0.000000 1.936677 8.382430\nBa Er Ag S\n2 2 2 6\ndirect\n0.135853 0.135853 0.431112 Ba\n0.864147 0.864147 0.568888 Ba\n0.836174 0.836174 0.080438 Er\n0.163826 0.163826 0.919562 Er\n0.485369 0.485369 0.208687 Ag\n0.514631 0.514631 0.791313 Ag\n0.674710 0.674710 0.129439 S\n0.325290 0.325290 0.870561 S\n0.675956 0.675956 0.700916 S\n0.324044 0.324044 0.299084 S\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
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{
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{
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