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{
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"results": [
{
"id": "mp-829746",
"created_at": "2022-09-04T14:42:54.129113Z",
"structure_string": "Li7 Mn3 Fe1 P6 O24\n1.0\n7.595042 -4.458914 0.000000\n7.595042 4.458914 0.000000\n4.977292 0.000000 7.265889\nLi Mn Fe P O\n7 3 1 6 24\ndirect\n0.648963 0.234592 0.817838 Li\n0.234592 0.817838 0.648963 Li\n0.224576 0.398196 0.722121 Li\n0.015848 0.015848 0.015848 Li\n0.817838 0.648963 0.234592 Li\n0.722121 0.224576 0.398196 Li\n0.398196 0.722121 0.224576 Li\n0.850491 0.850491 0.850491 Mn\n0.352531 0.352531 0.352531 Mn\n0.646139 0.646139 0.646139 Mn\n0.146501 0.146501 0.146501 Fe\n0.245041 0.542100 0.962040 P\n0.962040 0.245041 0.542100 P\n0.542100 0.962040 0.245041 P\n0.447658 0.050234 0.748732 P\n0.050234 0.748732 0.447658 P\n0.748732 0.447658 0.050234 P\n0.127235 0.287864 0.509013 O\n0.509013 0.127235 0.287864 O\n0.287864 0.509013 0.127235 O\n0.077598 0.722917 0.947270 O\n0.401470 0.566973 0.775509 O\n0.201306 0.378742 0.985151 O\n0.947270 0.077598 0.722917 O\n0.775509 0.401470 0.566973 O\n0.566973 0.775509 0.401470 O\n0.608657 0.032472 0.791933 O\n0.256445 0.097379 0.899903 O\n0.032472 0.791933 0.608657 O\n0.985151 0.201306 0.378742 O\n0.722917 0.947270 0.077598 O\n0.378742 0.985151 0.201306 O\n0.444107 0.229886 0.574706 O\n0.229886 0.574706 0.444107 O\n0.097379 0.899903 0.256445 O\n0.791933 0.608657 0.032472 O\n0.574706 0.444107 0.229886 O\n0.899903 0.256445 0.097379 O\n0.717839 0.473877 0.883118 O\n0.473877 0.883118 0.717839 O\n0.883118 0.717839 0.473877 O\n",
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"formula_full": "Li7 Mn3 Fe1 P6 O24",
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"spacegroup": 146
},
{
"id": "mp-829755",
"created_at": "2022-09-04T14:46:36.219522Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.380337 5.873990 0.000000\n-8.380337 5.873990 0.000000\n0.000000 5.730924 8.445729\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.621104 0.378896 0.750000 Li\n0.246929 0.877694 0.377914 Li\n0.122306 0.753071 0.122086 Li\n0.253202 0.374936 0.870881 Li\n0.374936 0.253202 0.370881 Li\n0.123988 0.876012 0.750000 Li\n0.876012 0.123988 0.250000 Li\n0.625064 0.746798 0.629119 Li\n0.746798 0.625064 0.129119 Li\n0.877694 0.246929 0.877914 Li\n0.753071 0.122306 0.622086 Li\n0.378896 0.621104 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.625580 0.248055 0.128563 P\n0.751945 0.374420 0.371437 P\n0.255243 0.127722 0.122210 P\n0.373909 0.121754 0.752924 P\n0.878246 0.626091 0.747076 P\n0.872278 0.744757 0.377790 P\n0.127722 0.255243 0.622210 P\n0.626091 0.878246 0.247076 P\n0.121754 0.373909 0.252924 P\n0.744757 0.872278 0.877790 P\n0.248055 0.625580 0.628563 P\n0.374420 0.751945 0.871437 P\n0.887692 0.493294 0.700740 O\n0.496977 0.108669 0.296989 O\n0.289948 0.799495 0.589857 O\n0.613337 0.200595 0.997329 O\n0.799405 0.386663 0.502671 O\n0.506706 0.112308 0.799260 O\n0.299586 0.995545 0.109154 O\n0.392486 0.298383 0.989932 O\n0.219806 0.093316 0.291724 O\n0.010160 0.795730 0.613002 O\n0.613101 0.405454 0.381049 O\n0.200505 0.710052 0.910143 O\n0.004455 0.700414 0.390846 O\n0.386651 0.090447 0.610497 O\n0.410198 0.292698 0.714105 O\n0.204270 0.989840 0.886998 O\n0.594546 0.386899 0.118951 O\n0.891331 0.503023 0.203011 O\n0.113413 0.115568 0.091929 O\n0.707302 0.589802 0.785895 O\n0.884432 0.886587 0.408071 O\n0.906684 0.780193 0.208276 O\n0.298383 0.392486 0.489932 O\n0.909553 0.613349 0.889503 O\n0.090447 0.386651 0.110497 O\n0.701617 0.607514 0.510068 O\n0.093316 0.219807 0.791724 O\n0.115568 0.113413 0.591929 O\n0.292698 0.410198 0.214105 O\n0.886587 0.884432 0.908071 O\n0.108669 0.496977 0.796989 O\n0.405454 0.613101 0.881049 O\n0.795730 0.010160 0.113002 O\n0.589802 0.707302 0.285895 O\n0.613349 0.909553 0.389503 O\n0.995545 0.299586 0.609154 O\n0.799495 0.289948 0.089857 O\n0.386899 0.594546 0.618951 O\n0.989840 0.204270 0.386998 O\n0.780193 0.906684 0.708276 O\n0.607514 0.701617 0.010068 O\n0.700414 0.004455 0.890846 O\n0.493294 0.887692 0.200740 O\n0.200595 0.613337 0.497329 O\n0.386663 0.799405 0.002671 O\n0.710052 0.200505 0.410143 O\n0.503023 0.891331 0.703011 O\n0.112308 0.506706 0.299260 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
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"V",
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],
"chemical_system": "Li-Mn-O-P-V",
"density": 3.2880633675015356,
"density_atomic": 0.09621176085927745,
"volume": 831.4991772888419,
"volume_molar": 6.259256359322001,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -605.00780846,
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"updated_at": "2021-11-28T01:37:43.691000Z",
"spacegroup": 15
},
{
"id": "mp-8298",
"created_at": "2022-09-04T14:47:02.566469Z",
"structure_string": "Sr4 P2 O1\n1.0\n-2.417519 2.417519 8.023919\n2.417519 -2.417519 8.023919\n2.417519 2.417519 -8.023919\nSr P O\n4 2 1\ndirect\n0.675929 0.675929 0.000000 Sr\n0.324071 0.324071 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.864843 0.864843 0.000000 P\n0.135157 0.135157 0.000000 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
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"elements": [
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"density": 3.792621772957955,
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"volume": 187.57990832563726,
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"formula_full": "Sr4 P2 O1",
"formula_reduced": "Sr4P2O",
"formula_anonymous": "AB2C4",
"energy": -33.98256387,
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"updated_at": "2021-11-28T01:37:52.563000Z",
"spacegroup": 139
},
{
"id": "mp-8299",
"created_at": "2022-09-04T14:40:35.180575Z",
"structure_string": "Sr4 As2 O1\n1.0\n-2.441749 2.441749 8.229768\n2.441749 -2.441749 8.229768\n2.441749 2.441749 -8.229768\nSr As O\n4 2 1\ndirect\n0.673824 0.673824 0.000000 Sr\n0.326176 0.326176 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.863941 0.863941 0.000000 As\n0.136059 0.136059 0.000000 As\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.368382027072182,
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"formula_full": "Sr4 As2 O1",
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},
{
"id": "mp-829913",
"created_at": "2022-09-04T14:46:07.647405Z",
"structure_string": "Fe3 Co1 Sb2 P6 O24\n1.0\n7.677553 -4.317429 0.000000\n7.677553 4.317429 0.000000\n5.249672 0.000000 7.072903\nFe Co Sb P O\n3 1 2 6 24\ndirect\n0.852549 0.852549 0.852549 Fe\n0.649140 0.649140 0.649140 Fe\n0.351283 0.351283 0.351283 Fe\n0.146045 0.146045 0.146045 Co\n0.001687 0.001687 0.001687 Sb\n0.501074 0.501074 0.501074 Sb\n0.248812 0.533983 0.963209 P\n0.963209 0.248812 0.533983 P\n0.533983 0.963209 0.248812 P\n0.459070 0.041756 0.752825 P\n0.041756 0.752825 0.459070 P\n0.752825 0.459070 0.041756 P\n0.703920 0.487615 0.883576 O\n0.487615 0.883576 0.703920 O\n0.082107 0.729212 0.941904 O\n0.883576 0.703920 0.487615 O\n0.200939 0.375228 0.991714 O\n0.417477 0.557176 0.768049 O\n0.941904 0.082107 0.729211 O\n0.768049 0.417477 0.557176 O\n0.616738 0.008554 0.803195 O\n0.557176 0.768049 0.417477 O\n0.264844 0.061375 0.923921 O\n0.008554 0.803195 0.616738 O\n0.991714 0.200939 0.375228 O\n0.729211 0.941904 0.082107 O\n0.437106 0.233857 0.584759 O\n0.375228 0.991714 0.200939 O\n0.233857 0.584759 0.437106 O\n0.061375 0.923921 0.264844 O\n0.584759 0.437106 0.233857 O\n0.803195 0.616738 0.008554 O\n0.116909 0.302327 0.506064 O\n0.923921 0.264844 0.061375 O\n0.506064 0.116909 0.302327 O\n0.302327 0.506064 0.116909 O\n",
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{
"id": "mp-829947",
"created_at": "2022-09-04T14:44:04.895199Z",
"structure_string": "V5 Fe1 P6 O24\n1.0\n7.415208 -4.312928 0.000000\n7.415208 4.312928 0.000000\n4.906667 0.000000 7.036425\nV Fe P O\n5 1 6 24\ndirect\n0.000495 0.000495 0.000495 V\n0.644271 0.644271 0.644271 V\n0.500204 0.500204 0.500204 V\n0.856427 0.856427 0.856427 V\n0.356298 0.356298 0.356298 V\n0.145209 0.145209 0.145209 Fe\n0.956921 0.249679 0.543223 P\n0.543223 0.956921 0.249679 P\n0.249679 0.543223 0.956921 P\n0.749880 0.456317 0.042718 P\n0.456317 0.042718 0.749880 P\n0.042718 0.749880 0.456317 P\n0.504771 0.116377 0.311562 O\n0.311562 0.504771 0.116377 O\n0.116377 0.311562 0.504771 O\n0.940453 0.087734 0.740761 O\n0.991956 0.188738 0.387079 O\n0.760575 0.413727 0.562195 O\n0.740761 0.940453 0.087734 O\n0.562195 0.760575 0.413727 O\n0.810498 0.615546 0.005315 O\n0.413727 0.562195 0.760575 O\n0.910621 0.261360 0.056532 O\n0.615546 0.005315 0.810498 O\n0.387079 0.991956 0.188738 O\n0.087734 0.740761 0.940453 O\n0.586020 0.440095 0.239393 O\n0.188738 0.387079 0.991956 O\n0.440095 0.239393 0.586020 O\n0.261360 0.056532 0.910621 O\n0.239393 0.586020 0.440095 O\n0.005315 0.810498 0.615546 O\n0.056532 0.910621 0.261360 O\n0.885083 0.683016 0.498965 O\n0.683016 0.498965 0.885083 O\n0.498965 0.885083 0.683016 O\n",
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"formula_full": "V5 Fe1 P6 O24",
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{
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"structure_string": "S56\n1.0\n6.677540 0.000000 0.000000\n0.000000 16.643974 0.000000\n0.000000 15.732278 16.677552\nS\n56\ndirect\n0.084379 0.697093 0.786514 S\n0.584379 0.302907 0.713486 S\n0.915621 0.302907 0.213486 S\n0.415621 0.697093 0.286514 S\n0.813808 0.955757 0.426855 S\n0.313808 0.044243 0.073145 S\n0.186192 0.044243 0.573145 S\n0.686192 0.955757 0.926855 S\n0.125190 0.761166 0.417384 S\n0.625190 0.238834 0.082616 S\n0.874810 0.238834 0.582616 S\n0.374810 0.761166 0.917384 S\n0.131415 0.941607 0.441832 S\n0.631415 0.058393 0.058168 S\n0.868585 0.058393 0.558168 S\n0.368585 0.941607 0.941832 S\n0.245171 0.900304 0.319460 S\n0.745171 0.099696 0.180540 S\n0.754829 0.099696 0.680540 S\n0.254829 0.900304 0.819460 S\n0.251179 0.017982 0.336013 S\n0.751179 0.982018 0.163987 S\n0.748821 0.982018 0.663987 S\n0.248821 0.017982 0.836013 S\n0.173347 0.540658 0.886172 S\n0.673347 0.459342 0.613828 S\n0.826653 0.459342 0.113828 S\n0.326653 0.540658 0.386172 S\n0.149051 0.719331 0.688801 S\n0.649051 0.280669 0.811199 S\n0.850949 0.280669 0.311199 S\n0.350949 0.719331 0.188801 S\n0.491686 0.556532 0.882678 S\n0.991686 0.443468 0.617322 S\n0.508314 0.443468 0.117322 S\n0.008314 0.556532 0.382678 S\n0.466647 0.741770 0.678293 S\n0.966647 0.258230 0.821707 S\n0.533353 0.258230 0.321707 S\n0.033353 0.741770 0.178293 S\n0.603633 0.483599 0.849053 S\n0.103633 0.516401 0.650947 S\n0.396367 0.516401 0.150947 S\n0.896367 0.483599 0.349053 S\n0.587816 0.604932 0.715289 S\n0.087816 0.395068 0.784711 S\n0.412184 0.395068 0.284711 S\n0.912184 0.604932 0.215289 S\n0.731051 0.799504 0.480625 S\n0.231051 0.200496 0.019375 S\n0.268949 0.200496 0.519375 S\n0.768949 0.799504 0.980625 S\n0.807253 0.780653 0.403988 S\n0.307253 0.219347 0.096012 S\n0.192747 0.219347 0.596012 S\n0.692747 0.780653 0.903988 S\n",
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{
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"structure_string": "Ga1 N1\n1.0\n0.000000 2.272788 2.272788\n2.272788 0.000000 2.272788\n2.272788 2.272788 0.000000\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 N\n",
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