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{
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"results": [
{
"id": "mp-1026486",
"created_at": "2022-09-04T14:45:43.072859Z",
"structure_string": "La1 Mg14 Ti1\n1.0\n6.573601 0.000000 -0.000000\n-3.286800 5.692905 -0.000000\n-0.000000 0.000000 10.255625\nLa Mg Ti\n1 14 1\ndirect\n0.166667 0.333333 0.625000 La\n0.166907 0.833453 0.125000 Mg\n0.176379 0.838189 0.625000 Mg\n0.666547 0.333093 0.125000 Mg\n0.661811 0.323621 0.625000 Mg\n0.666547 0.833453 0.125000 Mg\n0.661811 0.838189 0.625000 Mg\n0.334240 0.165760 0.364947 Mg\n0.334240 0.165760 0.885053 Mg\n0.334240 0.668482 0.364947 Mg\n0.334240 0.668482 0.885053 Mg\n0.831518 0.165760 0.364947 Mg\n0.831518 0.165760 0.885053 Mg\n0.833333 0.666667 0.379329 Mg\n0.833333 0.666667 0.870671 Mg\n0.166667 0.333333 0.125000 Ti\n",
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{
"id": "mp-19360",
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"structure_string": "Lu2 Cr2 O8\n1.0\n-3.535852 3.535852 3.105161\n3.535852 -3.535852 3.105161\n3.535852 3.535852 -3.105161\nLu Cr O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.321961 0.508646 0.186685 O\n0.385276 0.071961 0.313315 O\n0.758646 0.071961 0.686685 O\n0.321961 0.135276 0.813315 O\n0.864724 0.678039 0.186685 O\n0.928039 0.241354 0.313315 O\n0.928039 0.614724 0.686685 O\n0.491354 0.678039 0.813315 O\n",
"nsites": 12,
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"elements": [
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"volume": 155.28598857311934,
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"formula_full": "Lu2 Cr2 O8",
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"formula_anonymous": "ABC4",
"energy": -101.3658272,
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"updated_at": "2021-11-28T01:37:14.211000Z",
"spacegroup": 141
},
{
"id": "mp-569402",
"created_at": "2022-09-04T14:45:43.080819Z",
"structure_string": "V2 P2\n1.0\n1.666409 -2.886304 0.000000\n1.666409 2.886304 0.000000\n0.000000 0.000000 5.832226\nV P\n2 2\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"P"
],
"chemical_system": "P-V",
"density": 4.849041530675833,
"density_atomic": 0.07129711837803113,
"volume": 56.103249205546085,
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"formula_full": "V2 P2",
"formula_reduced": "VP",
"formula_anonymous": "AB",
"energy": -30.69146532,
"energy_per_atom": -7.67286633,
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"updated_at": "2021-11-28T01:37:15.326000Z",
"spacegroup": 194
},
{
"id": "mp-1218800",
"created_at": "2022-09-04T14:45:43.083589Z",
"structure_string": "Sr4 Ti10 Bi8 O36\n1.0\n5.507535 0.000000 0.000000\n-0.030730 5.537591 0.000000\n-0.035359 -2.729528 24.711243\nSr Ti Bi O\n4 10 8 36\ndirect\n0.502121 0.384620 0.748723 Sr\n0.504501 0.552281 0.080977 Sr\n0.008103 0.967493 0.918727 Sr\n0.995079 0.054957 0.081801 Sr\n0.498581 0.090390 0.161825 Ti\n0.506758 0.925442 0.833323 Ti\n0.003462 0.590585 0.161330 Ti\n0.009503 0.439491 0.834874 Ti\n0.500418 0.012169 0.001920 Ti\n0.001725 0.516128 0.000772 Ti\n0.497333 0.176055 0.337005 Ti\n0.507916 0.850799 0.662360 Ti\n0.004496 0.675551 0.336778 Ti\n0.997226 0.334015 0.662320 Ti\n0.530108 0.279680 0.551394 Bi\n0.469828 0.729910 0.448793 Bi\n0.971758 0.777553 0.551515 Bi\n0.028456 0.227750 0.448865 Bi\n0.510789 0.582284 0.253526 Bi\n0.017068 0.845826 0.736085 Bi\n0.989987 0.081894 0.253619 Bi\n0.520471 0.424785 0.913094 Bi\n0.207640 0.917759 0.170380 O\n0.788458 0.746123 0.832642 O\n0.290699 0.417915 0.170295 O\n0.702486 0.251270 0.835277 O\n0.456031 0.081555 0.081726 O\n0.541716 0.022643 0.920916 O\n0.040543 0.580447 0.081911 O\n0.935349 0.495032 0.920501 O\n0.254953 0.926562 0.313952 O\n0.746520 0.609633 0.682759 O\n0.244439 0.426573 0.314188 O\n0.757427 0.102174 0.683295 O\n0.242830 0.787157 0.994622 O\n0.747444 0.791212 0.008005 O\n0.249114 0.286513 0.993785 O\n0.748398 0.290500 0.008377 O\n0.558056 0.175175 0.241348 O\n0.446764 0.897536 0.759905 O\n0.940042 0.675125 0.241173 O\n0.034126 0.434206 0.760083 O\n0.284910 0.677105 0.850003 O\n0.716224 0.840258 0.153922 O\n0.221712 0.189606 0.846998 O\n0.781012 0.339774 0.154231 O\n0.442488 0.215739 0.407794 O\n0.553674 0.811716 0.591177 O\n0.058540 0.716513 0.407673 O\n0.945175 0.312944 0.591212 O\n0.234829 0.620478 0.672284 O\n0.771224 0.964308 0.328763 O\n0.253900 0.110442 0.671688 O\n0.728280 0.464086 0.328724 O\n0.248787 0.510064 0.502042 O\n0.751098 0.008408 0.498648 O\n0.250610 0.009773 0.501937 O\n0.748818 0.508017 0.498138 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-O-Sr-Ti",
"density": 6.779534139018601,
"density_atomic": 0.07695826361924364,
"volume": 753.6552576986278,
"volume_molar": 7.825203528233121,
"formula_full": "Sr4 Ti10 Bi8 O36",
"formula_reduced": "Sr2Ti5(Bi2O9)2",
"formula_anonymous": "A2B4C5D18",
"energy": -462.5089459,
"energy_per_atom": -7.9742921706896555,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:11.587000Z",
"spacegroup": 1
},
{
"id": "mp-1220104",
"created_at": "2022-09-04T14:45:43.095669Z",
"structure_string": "Np1 Al8 Cr4\n1.0\n0.000000 0.000000 4.968001\n-4.393149 4.393149 2.484000\n-4.393149 -4.393149 -2.484000\nNp Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.660173 0.339827 0.660173 Al\n0.339827 0.660173 0.339827 Al\n0.000000 0.339827 0.339827 Al\n0.000000 0.660173 0.660173 Al\n0.717020 0.782980 0.217020 Al\n0.282980 0.217020 0.782980 Al\n0.500000 0.782980 0.782980 Al\n0.500000 0.217020 0.217020 Al\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Al",
"Cr"
],
"chemical_system": "Al-Cr-Np",
"density": 5.722419873753018,
"density_atomic": 0.06779221368416892,
"volume": 191.7624354408094,
"volume_molar": 8.8832336823459,
"formula_full": "Np1 Al8 Cr4",
"formula_reduced": "Np(Al2Cr)4",
"formula_anonymous": "AB4C8",
"energy": -82.08083254,
"energy_per_atom": -6.313910195384616,
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"updated_at": "2021-11-28T01:37:15.385000Z",
"spacegroup": 139
},
{
"id": "mp-35530",
"created_at": "2022-09-04T14:45:43.097260Z",
"structure_string": "Li1 Mn4 O8\n1.0\n4.177159 4.177158 0.000425\n4.177189 -0.000455 -4.177187\n-0.000413 4.177146 -4.177145\nLi Mn O\n1 4 8\ndirect\n0.999992 0.000004 0.000003 Li\n0.375872 0.375871 0.375870 Mn\n0.375869 0.375868 0.872392 Mn\n0.375868 0.872391 0.375868 Mn\n0.872415 0.375860 0.375861 Mn\n0.609596 0.609610 0.609609 O\n0.609602 0.609616 0.171177 O\n0.609602 0.171177 0.609615 O\n0.171119 0.609632 0.609630 O\n0.583643 0.138782 0.138783 O\n0.138805 0.138787 0.583610 O\n0.138805 0.583610 0.138788 O\n0.138810 0.138792 0.138793 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Li-Mn-O",
"density": 4.039747980667818,
"density_atomic": 0.08916646854286277,
"volume": 145.7947164718185,
"volume_molar": 6.7538177281352425,
"formula_full": "Li1 Mn4 O8",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy": -102.95416953,
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"updated_at": "2021-11-28T01:37:12.757000Z",
"spacegroup": 216
},
{
"id": "mp-555082",
"created_at": "2022-09-04T14:45:43.099489Z",
"structure_string": "Cs2 Li10 B4 O12\n1.0\n4.775699 5.951749 0.000000\n-4.775699 5.951749 0.000000\n0.000000 5.546785 6.012404\nCs Li B O\n2 10 4 12\ndirect\n0.691721 0.308279 0.750000 Cs\n0.308279 0.691721 0.250000 Cs\n0.529899 0.266197 0.229230 Li\n0.703800 0.070570 0.460471 Li\n0.470101 0.733803 0.770770 Li\n0.733803 0.470101 0.270770 Li\n0.000000 0.000000 0.000000 Li\n0.296200 0.929430 0.539529 Li\n0.266197 0.529899 0.729230 Li\n0.070570 0.703800 0.960471 Li\n0.000000 0.000000 0.500000 Li\n0.929430 0.296200 0.039529 Li\n0.831464 0.688136 0.811363 B\n0.688136 0.831464 0.311363 B\n0.168536 0.311864 0.188637 B\n0.311864 0.168536 0.688637 B\n0.167096 0.270041 0.798279 O\n0.044331 0.735024 0.715679 O\n0.955669 0.264976 0.284321 O\n0.270041 0.167096 0.298279 O\n0.735024 0.044331 0.215679 O\n0.264976 0.955669 0.784321 O\n0.504776 0.730601 0.506978 O\n0.832904 0.729959 0.201721 O\n0.730601 0.504776 0.006978 O\n0.269399 0.495224 0.993022 O\n0.495224 0.269399 0.493022 O\n0.729959 0.832904 0.701721 O\n",
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"B",
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"volume": 341.7902776520453,
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"formula_full": "Cs2 Li10 B4 O12",
"formula_reduced": "CsLi5(BO3)2",
"formula_anonymous": "AB2C5D6",
"energy": -176.95689614,
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"updated_at": "2021-11-28T01:37:20.359000Z",
"spacegroup": 15
},
{
"id": "mp-1235217",
"created_at": "2022-09-04T14:45:43.103741Z",
"structure_string": "Li1 Zn4 Sn4 O8\n1.0\n3.320589 -0.169444 0.633503\n1.105665 8.105707 0.194029\n-0.482468 -0.260064 9.953755\nLi Zn Sn O\n1 4 4 8\ndirect\n0.746857 0.681762 0.631345 Li\n0.660897 0.050201 0.293773 Zn\n0.345029 0.963089 0.735572 Zn\n0.303711 0.792440 0.101337 Zn\n0.750721 0.231203 0.925284 Zn\n0.912786 0.272617 0.569498 Sn\n0.096384 0.381797 0.175928 Sn\n0.968812 0.618691 0.874563 Sn\n0.304252 0.696384 0.405411 Sn\n0.239135 0.785283 0.609476 O\n0.216794 0.364477 0.956564 O\n0.835177 0.651223 0.087426 O\n0.486929 0.148403 0.481111 O\n0.814643 0.108957 0.748553 O\n0.680685 0.202943 0.135774 O\n0.202218 0.916104 0.275197 O\n0.367530 0.809702 0.897372 O\n",
"nsites": 17,
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"elements": [
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"Zn",
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],
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"density": 5.314901298407121,
"density_atomic": 0.06244122171399277,
"volume": 272.2560438978468,
"volume_molar": 9.644495406550424,
"formula_full": "Li1 Zn4 Sn4 O8",
"formula_reduced": "LiZn4(SnO2)4",
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"energy": -88.68848756999999,
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"updated_at": "2021-11-28T01:37:14.677000Z",
"spacegroup": 1
},
{
"id": "mp-752936",
"created_at": "2022-09-04T14:45:43.109276Z",
"structure_string": "Li6 Mn3 F18\n1.0\n4.288609 -7.428088 0.000000\n4.288609 7.428088 0.000000\n0.000000 0.000000 4.659197\nLi Mn F\n6 3 18\ndirect\n0.000000 0.643826 0.000000 Li\n0.000000 0.308139 0.500000 Li\n0.356174 0.356174 0.000000 Li\n0.308139 0.000000 0.500000 Li\n0.691861 0.691861 0.500000 Li\n0.643826 0.000000 0.000000 Li\n0.333333 0.666667 0.512017 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.487983 Mn\n0.098511 0.892243 0.779378 F\n0.229320 0.768318 0.288922 F\n0.127740 0.556317 0.734255 F\n0.428578 0.872260 0.734255 F\n0.231682 0.461002 0.288922 F\n0.107757 0.206268 0.779378 F\n0.206268 0.107757 0.220622 F\n0.443683 0.571422 0.734255 F\n0.538998 0.770680 0.288922 F\n0.461002 0.231682 0.711078 F\n0.571422 0.443683 0.265745 F\n0.793732 0.901489 0.779378 F\n0.556317 0.127740 0.265745 F\n0.770680 0.538998 0.711078 F\n0.901489 0.793732 0.220622 F\n0.768318 0.229320 0.711078 F\n0.872260 0.428578 0.265745 F\n0.892243 0.098511 0.220622 F\n",
"nsites": 27,
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],
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"density": 3.067869215234326,
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"volume": 296.8482972611278,
"volume_molar": 6.62097122397346,
"formula_full": "Li6 Mn3 F18",
"formula_reduced": "Li2MnF6",
"formula_anonymous": "AB2C6",
"energy": -150.77993737,
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"updated_at": "2021-11-28T01:37:12.566000Z",
"spacegroup": 150
},
{
"id": "mp-1304638",
"created_at": "2022-09-04T14:45:43.110715Z",
"structure_string": "Li6 Cr6 Fe2 O16\n1.0\n2.930291 1.705242 4.852873\n5.930494 3.449074 -4.855778\n-2.988689 5.139936 0.000731\nLi Cr Fe O\n6 6 2 16\ndirect\n0.500008 0.000000 0.999990 Li\n0.000009 0.499998 0.499991 Li\n0.748520 0.751139 0.747678 Li\n0.251478 0.248846 0.252317 Li\n0.748613 0.751312 0.252234 Li\n0.251401 0.248690 0.747747 Li\n0.252965 0.750574 0.747869 Cr\n0.747052 0.249421 0.252111 Cr\n0.253055 0.750452 0.252253 Cr\n0.746932 0.249554 0.747752 Cr\n0.499997 0.500002 0.999999 Cr\n0.999985 0.999988 0.500039 Cr\n0.499996 0.000002 0.500000 Fe\n0.000000 0.500003 0.999995 Fe\n0.515498 0.259361 0.000028 O\n0.017525 0.757480 0.500085 O\n0.484504 0.740649 0.999964 O\n0.982471 0.242501 0.499930 O\n0.983545 0.272048 0.999835 O\n0.481154 0.758048 0.500030 O\n0.757690 0.492299 0.223848 O\n0.254595 0.991149 0.729142 O\n0.757240 0.492274 0.775779 O\n0.254800 0.991110 0.271038 O\n0.242753 0.507736 0.224210 O\n0.745148 0.008894 0.729011 O\n0.242311 0.507702 0.776137 O\n0.745412 0.008842 0.270882 O\n0.016462 0.727959 0.000150 O\n0.518855 0.241956 0.499952 O\n",
"nsites": 30,
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{
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"structure_string": "Na12 Ga12 Te8 O48\n1.0\n-6.272554 6.272554 6.272554\n6.272554 -6.272554 6.272554\n6.272554 6.272554 -6.272554\nNa Ga Te O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.250000 0.875000 Na\n0.250000 0.375000 0.125000 Na\n0.125000 0.375000 0.750000 Na\n0.375000 0.125000 0.250000 Na\n0.750000 0.625000 0.875000 Na\n0.875000 0.750000 0.625000 Na\n0.250000 0.875000 0.625000 Na\n0.750000 0.125000 0.375000 Na\n0.625000 0.875000 0.750000 Na\n0.125000 0.250000 0.375000 Na\n0.375000 0.625000 0.750000 Ga\n0.250000 0.625000 0.375000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.750000 0.875000 0.125000 Ga\n0.750000 0.375000 0.625000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.375000 0.250000 0.625000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.000000 0.500000 0.500000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.923420 0.115395 0.598849 O\n0.115395 0.016546 0.191975 O\n0.483454 0.598849 0.175429 O\n0.076580 0.884605 0.401151 O\n0.675429 0.076580 0.691975 O\n0.098849 0.983454 0.675429 O\n0.824571 0.808025 0.423420 O\n0.175429 0.483454 0.598849 O\n0.598849 0.923420 0.115395 O\n0.576580 0.901151 0.384605 O\n0.384605 0.576580 0.901151 O\n0.808025 0.884605 0.983454 O\n0.115395 0.598849 0.923420 O\n0.615395 0.423420 0.098849 O\n0.824571 0.516546 0.401151 O\n0.598849 0.175429 0.483454 O\n0.175429 0.191975 0.576580 O\n0.923420 0.308025 0.324571 O\n0.901151 0.384605 0.576580 O\n0.308025 0.324571 0.923420 O\n0.308025 0.483454 0.384605 O\n0.191975 0.115395 0.016546 O\n0.516546 0.615395 0.691975 O\n0.576580 0.175429 0.191975 O\n0.098849 0.615395 0.423420 O\n0.884605 0.401151 0.076580 O\n0.691975 0.675429 0.076580 O\n0.401151 0.824571 0.516546 O\n0.423420 0.824571 0.808025 O\n0.191975 0.576580 0.175429 O\n0.401151 0.076580 0.884605 O\n0.615395 0.691975 0.516546 O\n0.324571 0.923420 0.308025 O\n0.016546 0.324571 0.901151 O\n0.675429 0.098849 0.983454 O\n0.983454 0.675429 0.098849 O\n0.016546 0.191975 0.115395 O\n0.884605 0.983454 0.808025 O\n0.483454 0.384605 0.308025 O\n0.808025 0.423420 0.824571 O\n0.423420 0.098849 0.615395 O\n0.691975 0.516546 0.615395 O\n0.901151 0.016546 0.324571 O\n0.076580 0.691975 0.675429 O\n0.384605 0.308025 0.483454 O\n0.516546 0.401151 0.824571 O\n0.983454 0.808025 0.884605 O\n0.324571 0.901151 0.016546 O\n",
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"formula_full": "Na12 Ga12 Te8 O48",
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{
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}