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{
"id": "mp-546707",
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{
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],
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"formula_full": "Mg30 Mn1 V1 O32",
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"formula_anonymous": "ABC30D32",
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"updated_at": "2021-11-28T01:35:10.552000Z",
"spacegroup": 123
},
{
"id": "mp-865398",
"created_at": "2022-09-04T14:41:00.434620Z",
"structure_string": "Ac2 Zn1 Ir1\n1.0\n0.000000 3.794774 3.794774\n3.794774 0.000000 3.794774\n3.794774 3.794774 0.000000\nAc Zn Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ir\n",
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"density": 10.812177329088218,
"density_atomic": 0.03659925512578324,
"volume": 109.29184176707743,
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"formula_full": "Ac2 Zn1 Ir1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:11.403000Z",
"spacegroup": 225
},
{
"id": "mp-1222171",
"created_at": "2022-09-04T14:41:00.737040Z",
"structure_string": "Mg1 Te1 Pb2 O6\n1.0\n5.708671 0.000000 0.000000\n2.847903 4.949248 0.000000\n2.843864 1.645946 4.674350\nMg Te Pb O\n1 1 2 6\ndirect\n0.990397 0.999929 0.005282 Mg\n0.495979 0.499980 0.501951 Te\n0.728615 0.742588 0.759390 Pb\n0.224401 0.257478 0.264886 Pb\n0.252282 0.742558 0.740129 O\n0.271439 0.739389 0.245697 O\n0.742671 0.735232 0.274384 O\n0.752494 0.261555 0.258960 O\n0.733313 0.263893 0.746535 O\n0.258409 0.257396 0.728785 O\n",
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"density": 8.327397808149264,
"density_atomic": 0.07571894273894135,
"volume": 132.06734851643827,
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"formula_full": "Mg1 Te1 Pb2 O6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:09.750000Z",
"spacegroup": 1
},
{
"id": "mp-1223131",
"created_at": "2022-09-04T14:41:01.200322Z",
"structure_string": "La4 Mn3 Ni1 O12\n1.0\n5.585920 0.000000 0.000000\n0.053141 5.605524 0.000000\n0.049005 0.023747 7.878559\nLa Mn Ni O\n4 3 1 12\ndirect\n0.495981 0.529816 0.752389 La\n0.013870 0.033879 0.753899 La\n0.504019 0.470184 0.247611 La\n0.986130 0.966121 0.246101 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.584558 0.985926 0.758467 O\n0.922716 0.485708 0.743045 O\n0.415442 0.014074 0.241533 O\n0.077284 0.514292 0.256955 O\n0.231627 0.785563 0.957732 O\n0.279596 0.283644 0.544655 O\n0.767790 0.209313 0.454016 O\n0.712498 0.727668 0.044735 O\n0.768373 0.214437 0.042268 O\n0.720404 0.716356 0.455345 O\n0.232210 0.790687 0.545984 O\n0.287502 0.272332 0.955265 O\n",
"nsites": 20,
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"elements": [
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"Ni",
"O"
],
"chemical_system": "La-Mn-Ni-O",
"density": 6.5368010445610265,
"density_atomic": 0.0810722593223046,
"volume": 246.69350733756596,
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"formula_full": "La4 Mn3 Ni1 O12",
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"energy": -170.70853613,
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{
"id": "mp-1101492",
"created_at": "2022-09-04T14:41:00.297909Z",
"structure_string": "Li2 V4 P6 O24\n1.0\n4.298874 7.447778 0.000000\n-4.298874 7.447778 0.000000\n0.000000 4.870596 7.025967\nLi V P O\n2 4 6 24\ndirect\n0.018196 0.433598 0.982455 Li\n0.433598 0.018196 0.482455 Li\n0.360945 0.855831 0.918115 V\n0.855831 0.360945 0.418115 V\n0.140708 0.641187 0.572055 V\n0.641187 0.140708 0.072055 V\n0.037153 0.962655 0.742160 P\n0.750033 0.533892 0.751675 P\n0.533892 0.750033 0.251675 P\n0.962655 0.037153 0.242160 P\n0.461970 0.247639 0.743963 P\n0.247639 0.461970 0.243963 P\n0.945876 0.229582 0.232571 O\n0.698648 0.371562 0.933565 O\n0.500908 0.798331 0.069789 O\n0.371562 0.698648 0.433565 O\n0.229582 0.945876 0.732571 O\n0.919703 0.549882 0.755294 O\n0.549882 0.919703 0.255294 O\n0.723986 0.580800 0.251453 O\n0.128515 0.999045 0.060601 O\n0.994221 0.875563 0.424024 O\n0.580800 0.723986 0.751453 O\n0.197988 0.502489 0.424542 O\n0.798331 0.500908 0.569789 O\n0.058934 0.773917 0.739477 O\n0.999045 0.128515 0.560601 O\n0.268515 0.413089 0.754698 O\n0.875563 0.994221 0.924024 O\n0.773917 0.058934 0.239477 O\n0.079910 0.439490 0.245241 O\n0.623548 0.299110 0.562235 O\n0.502489 0.197988 0.924542 O\n0.299110 0.623548 0.062235 O\n0.413089 0.268515 0.254698 O\n0.439490 0.079910 0.745241 O\n",
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],
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"formula_full": "Li2 V4 P6 O24",
"formula_reduced": "LiV2(PO4)3",
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{
"id": "mp-1174762",
"created_at": "2022-09-04T14:41:00.327376Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.970887 0.000000 0.000000\n0.114702 5.083345 0.000000\n0.668435 0.311635 16.765827\nLi Mn Co O\n8 2 4 14\ndirect\n0.918036 0.624916 0.143918 Li\n0.364842 0.788445 0.285817 Li\n0.787607 0.931021 0.427676 Li\n0.216422 0.072658 0.570847 Li\n0.645214 0.215105 0.712816 Li\n0.073984 0.361389 0.855491 Li\n0.489664 0.492348 0.005399 Li\n0.442658 0.158773 0.141649 Li\n0.996703 0.011929 0.005832 Mn\n0.142750 0.708043 0.713109 Mn\n0.868443 0.282506 0.280721 Co\n0.284106 0.426928 0.427155 Co\n0.714356 0.568703 0.567399 Co\n0.560940 0.850888 0.858647 Co\n0.486648 0.845768 0.063442 O\n0.888602 0.998877 0.225092 O\n0.298777 0.135300 0.357395 O\n0.713912 0.267021 0.499164 O\n0.190922 0.410956 0.640681 O\n0.568272 0.541917 0.785288 O\n0.018087 0.707503 0.926640 O\n0.426032 0.458886 0.221042 O\n0.851354 0.570460 0.356244 O\n0.237913 0.725799 0.496547 O\n0.718156 0.873322 0.639763 O\n0.111825 0.011487 0.788211 O\n0.510372 0.154523 0.937129 O\n0.973404 0.304530 0.066886 O\n",
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],
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"volume": 253.19824995869465,
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "mp-1211794",
"created_at": "2022-09-04T14:41:00.343276Z",
"structure_string": "K2 Na1 O2\n1.0\n4.548084 0.000000 0.000000\n0.000000 4.548084 0.000000\n0.000000 0.000000 13.357015\nK Na O\n2 1 2\ndirect\n0.500000 0.500000 0.663331 K\n0.500000 0.500000 0.336669 K\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.162925 O\n0.500000 0.500000 0.837075 O\n",
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"formula_full": "K2 Na1 O2",
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"energy": -15.44426203,
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{
"id": "mp-1247407",
"created_at": "2022-09-04T14:41:00.350324Z",
"structure_string": "Sr2 Sn14 N20\n1.0\n7.845100 0.000000 -0.030175\n0.000000 8.049880 0.000000\n-3.063881 0.000000 11.033210\nSr Sn N\n2 14 20\ndirect\n0.968961 0.971973 0.678904 Sr\n0.968961 0.028027 0.178904 Sr\n0.542267 0.969821 0.822089 Sn\n0.542267 0.030179 0.322089 Sn\n0.341600 0.024196 0.016679 Sn\n0.341600 0.975804 0.516679 Sn\n0.114160 0.394137 0.070653 Sn\n0.114160 0.605863 0.570653 Sn\n0.665505 0.351342 0.996551 Sn\n0.665505 0.648658 0.496551 Sn\n0.844382 0.619768 0.812174 Sn\n0.844382 0.380232 0.312174 Sn\n0.300673 0.623584 0.881420 Sn\n0.300673 0.376416 0.381420 Sn\n0.487642 0.364413 0.687131 Sn\n0.487642 0.635587 0.187131 Sn\n0.764791 0.860658 0.805908 N\n0.764791 0.139342 0.305908 N\n0.577125 0.110696 0.982024 N\n0.577125 0.889304 0.482024 N\n0.302814 0.878164 0.856183 N\n0.302814 0.121836 0.356183 N\n0.125588 0.149089 0.029083 N\n0.125588 0.850911 0.529083 N\n0.290304 0.506198 0.722334 N\n0.290304 0.493802 0.222334 N\n0.422638 0.118588 0.673604 N\n0.422638 0.881412 0.173604 N\n0.893303 0.359894 0.138470 N\n0.893303 0.640106 0.638470 N\n0.080773 0.585299 0.944505 N\n0.080773 0.414701 0.444505 N\n0.712748 0.400880 0.828580 N\n0.712748 0.599120 0.328580 N\n0.507025 0.543768 0.023009 N\n0.507025 0.456232 0.523009 N\n",
"nsites": 36,
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"elements": [
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"formula_full": "Sr2 Sn14 N20",
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{
"id": "mp-1097575",
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"structure_string": "Sc2 Al1 Au1\n1.0\n-5.423112 5.757413 8.132102\n5.423112 -5.757413 8.132102\n5.423112 5.757413 -8.132102\nSc Al Au\n2 1 1\ndirect\n0.000000 0.257289 0.257289 Sc\n0.000000 0.742711 0.742711 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Sc2 Al1 Au1",
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