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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=164",
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"results": [
{
"id": "mp-1185706",
"created_at": "2022-09-04T14:39:28.215918Z",
"structure_string": "Mg16 Al12 Si1\n1.0\n5.250543 -7.393885 0.000000\n5.250543 7.393885 0.000000\n-5.161625 0.000000 7.456230\nMg Al Si\n16 12 1\ndirect\n0.280930 0.682570 0.682570 Mg\n0.004312 0.004312 0.004312 Mg\n0.345362 0.997147 0.997147 Mg\n0.704503 0.414353 0.414353 Mg\n0.997295 0.595756 0.316684 Mg\n0.414353 0.704503 0.414353 Mg\n0.595756 0.316684 0.997295 Mg\n0.997147 0.345362 0.997147 Mg\n0.316684 0.997295 0.595756 Mg\n0.682570 0.682570 0.280930 Mg\n0.682570 0.280930 0.682570 Mg\n0.316684 0.595756 0.997295 Mg\n0.997147 0.997147 0.345362 Mg\n0.595756 0.997295 0.316684 Mg\n0.414353 0.414353 0.704503 Mg\n0.997295 0.316684 0.595756 Mg\n0.169048 0.357730 0.357730 Al\n0.808329 0.185504 0.185504 Al\n0.999412 0.814703 0.631374 Al\n0.631374 0.999412 0.814703 Al\n0.357730 0.357730 0.169048 Al\n0.814703 0.999412 0.631374 Al\n0.185504 0.185504 0.808329 Al\n0.185504 0.808329 0.185504 Al\n0.814703 0.631374 0.999412 Al\n0.357730 0.169048 0.357730 Al\n0.631374 0.814703 0.999412 Al\n0.999412 0.631374 0.814703 Al\n0.702447 0.702447 0.702447 Si\n",
"nsites": 29,
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"elements": [
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"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.1246676990580133,
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"volume": 578.9301968430439,
"volume_molar": 12.022065984839026,
"formula_full": "Mg16 Al12 Si1",
"formula_reduced": "Mg16Al12Si",
"formula_anonymous": "AB12C16",
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"updated_at": "2021-11-28T01:34:32.988000Z",
"spacegroup": 160
},
{
"id": "mp-774656",
"created_at": "2022-09-04T14:39:28.420909Z",
"structure_string": "Li5 Ti6 Fe1 O16\n1.0\n5.971800 0.000000 0.000000\n0.000000 5.956294 0.000000\n0.000000 0.048507 8.454683\nLi Ti Fe O\n5 6 1 16\ndirect\n0.500000 0.502563 0.998690 Li\n0.000000 0.759971 0.117723 Li\n0.000000 0.995249 0.501591 Li\n0.500000 0.262890 0.622306 Li\n0.000000 0.234153 0.879017 Li\n0.500000 0.006388 0.991810 Ti\n0.758734 0.248505 0.246461 Ti\n0.241266 0.248505 0.246461 Ti\n0.000000 0.478640 0.505281 Ti\n0.248616 0.748525 0.758373 Ti\n0.751384 0.748525 0.758373 Ti\n0.500000 0.737187 0.384176 Fe\n0.726185 0.235821 0.023200 O\n0.273815 0.235821 0.023200 O\n0.500000 0.011397 0.247727 O\n0.500000 0.475916 0.251840 O\n0.000000 0.476915 0.258098 O\n0.000000 0.038498 0.252286 O\n0.770547 0.268680 0.480809 O\n0.229453 0.268680 0.480809 O\n0.237335 0.737864 0.509712 O\n0.762665 0.737864 0.509712 O\n0.000000 0.957598 0.742796 O\n0.000000 0.518707 0.737099 O\n0.500000 0.984557 0.762324 O\n0.500000 0.541830 0.749708 O\n0.270596 0.769374 0.980208 O\n0.729404 0.769374 0.980208 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.499315917193902,
"density_atomic": 0.09310635436122236,
"volume": 300.73135385979253,
"volume_molar": 6.468023371032285,
"formula_full": "Li5 Ti6 Fe1 O16",
"formula_reduced": "Li5Ti6FeO16",
"formula_anonymous": "AB5C6D16",
"energy": -229.51974384,
"energy_per_atom": -8.197133708571428,
"energy_above_hull": null,
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"energy_uncorrected": -216.27174384,
"band_gap": 2.1950000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0005888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.136000Z",
"spacegroup": 6
},
{
"id": "mp-1213268",
"created_at": "2022-09-04T14:39:28.735158Z",
"structure_string": "Cs4 Lu8 Cl28\n1.0\n6.962723 0.000000 0.000000\n0.000000 12.599084 0.000000\n0.000000 0.000000 13.501506\nCs Lu Cl\n4 8 28\ndirect\n0.250000 0.804178 0.042896 Cs\n0.750000 0.195822 0.957104 Cs\n0.750000 0.304178 0.457104 Cs\n0.250000 0.695822 0.542896 Cs\n0.250000 0.459462 0.237614 Lu\n0.750000 0.540538 0.762386 Lu\n0.750000 0.959462 0.262386 Lu\n0.250000 0.040538 0.737614 Lu\n0.250000 0.157657 0.250783 Lu\n0.750000 0.842343 0.749217 Lu\n0.750000 0.657657 0.249217 Lu\n0.250000 0.342343 0.750783 Lu\n0.013643 0.306712 0.176831 Cl\n0.986357 0.693288 0.823169 Cl\n0.986357 0.806712 0.323169 Cl\n0.513643 0.693288 0.823169 Cl\n0.013643 0.193288 0.676831 Cl\n0.486357 0.306712 0.176831 Cl\n0.486357 0.193288 0.676831 Cl\n0.513643 0.806712 0.323169 Cl\n0.007353 0.575014 0.124514 Cl\n0.992647 0.424986 0.875486 Cl\n0.992647 0.075014 0.375486 Cl\n0.507353 0.424986 0.875486 Cl\n0.007353 0.924986 0.624514 Cl\n0.492647 0.575014 0.124514 Cl\n0.492647 0.924986 0.624514 Cl\n0.507353 0.075014 0.375486 Cl\n0.010327 0.040062 0.136589 Cl\n0.989673 0.959938 0.863411 Cl\n0.989673 0.540062 0.363411 Cl\n0.510327 0.959938 0.863411 Cl\n0.010327 0.459938 0.636589 Cl\n0.489673 0.040062 0.136589 Cl\n0.489673 0.459938 0.636589 Cl\n0.510327 0.540062 0.363411 Cl\n0.250000 0.311558 0.389536 Cl\n0.750000 0.688442 0.610464 Cl\n0.750000 0.811558 0.110464 Cl\n0.250000 0.188442 0.889536 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cs",
"Lu",
"Cl"
],
"chemical_system": "Cl-Cs-Lu",
"density": 4.099513984320457,
"density_atomic": 0.0337722261091214,
"volume": 1184.4051935088924,
"volume_molar": 17.831636980463973,
"formula_full": "Cs4 Lu8 Cl28",
"formula_reduced": "CsLu2Cl7",
"formula_anonymous": "AB2C7",
"energy": -198.12110099,
"energy_per_atom": -4.95302752475,
"energy_above_hull": null,
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"band_gap": 4.658,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.692000Z",
"spacegroup": 62
},
{
"id": "mp-562985",
"created_at": "2022-09-04T14:39:28.830280Z",
"structure_string": "Co4 Si4 C16 Cl12 O16\n1.0\n11.342320 0.000000 0.000000\n0.000000 8.889417 0.000000\n0.000000 1.985520 11.974793\nCo Si C Cl O\n4 4 16 12 16\ndirect\n0.966972 0.775705 0.778071 Co\n0.533028 0.775705 0.278071 Co\n0.033028 0.224295 0.221929 Co\n0.466972 0.224295 0.721929 Co\n0.847474 0.698904 0.646143 Si\n0.347474 0.301096 0.853857 Si\n0.652526 0.698904 0.146143 Si\n0.152526 0.301096 0.353857 Si\n0.908625 0.614286 0.866588 C\n0.091375 0.385714 0.133412 C\n0.591375 0.614286 0.366588 C\n0.612428 0.949346 0.248075 C\n0.414918 0.744432 0.187696 C\n0.085082 0.744432 0.687696 C\n0.945441 0.164652 0.114759 C\n0.585082 0.255568 0.812304 C\n0.914918 0.255568 0.312304 C\n0.554559 0.164652 0.614759 C\n0.887572 0.949346 0.748075 C\n0.112428 0.050654 0.251925 C\n0.408625 0.385714 0.633412 C\n0.054559 0.835348 0.885241 C\n0.445441 0.835348 0.385241 C\n0.387572 0.050654 0.751925 C\n0.378785 0.522552 0.876014 Cl\n0.829891 0.708542 0.185201 Cl\n0.634100 0.831638 0.990474 Cl\n0.670109 0.708542 0.685201 Cl\n0.878785 0.477448 0.623986 Cl\n0.329891 0.291458 0.314799 Cl\n0.134100 0.168362 0.509526 Cl\n0.121215 0.522552 0.376014 Cl\n0.621215 0.477448 0.123986 Cl\n0.170109 0.291458 0.814799 Cl\n0.365900 0.168362 0.009526 Cl\n0.865900 0.831638 0.490474 Cl\n0.625612 0.509259 0.427084 O\n0.663266 0.274510 0.869440 O\n0.125612 0.490741 0.072916 O\n0.891402 0.125419 0.044200 O\n0.836734 0.274510 0.369440 O\n0.608598 0.125419 0.544200 O\n0.162053 0.935455 0.269199 O\n0.336734 0.725490 0.130560 O\n0.108598 0.874581 0.955800 O\n0.374388 0.490741 0.572916 O\n0.163266 0.725490 0.630560 O\n0.662053 0.064545 0.230801 O\n0.391402 0.874581 0.455800 O\n0.874388 0.509259 0.927084 O\n0.337947 0.935455 0.769199 O\n0.837947 0.064545 0.730801 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Co",
"Si",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-O-Si",
"density": 1.6801987714576003,
"density_atomic": 0.043068540398667185,
"volume": 1207.377810314863,
"volume_molar": 13.982690623493625,
"formula_full": "Co4 Si4 C16 Cl12 O16",
"formula_reduced": "CoSiC4Cl3O4",
"formula_anonymous": "ABC3D4E4",
"energy": -355.61352302,
"energy_per_atom": -6.838721596538462,
"energy_above_hull": null,
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"energy_uncorrected": -330.70152302,
"band_gap": 3.6211,
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"updated_at": "2021-11-28T01:34:37.431000Z",
"spacegroup": 14
},
{
"id": "mp-1027955",
"created_at": "2022-09-04T14:39:29.366419Z",
"structure_string": "Li1 Mg14 Zn1\n1.0\n6.305231 0.000000 0.000000\n-3.152616 5.460490 0.000000\n0.000000 -0.000000 10.190652\nLi Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Li\n0.165183 0.832591 0.125000 Mg\n0.167083 0.833541 0.625000 Mg\n0.667409 0.334817 0.125000 Mg\n0.666459 0.332917 0.625000 Mg\n0.667409 0.832591 0.125000 Mg\n0.666459 0.833541 0.625000 Mg\n0.331202 0.168798 0.372764 Mg\n0.331202 0.168798 0.877236 Mg\n0.331202 0.662406 0.372764 Mg\n0.331202 0.662406 0.877236 Mg\n0.837594 0.168798 0.372764 Mg\n0.837594 0.168798 0.877236 Mg\n0.833333 0.666667 0.375976 Mg\n0.833333 0.666667 0.874024 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 1.9528315494771864,
"density_atomic": 0.04560215782302208,
"volume": 350.86059002064286,
"volume_molar": 13.205824126506018,
"formula_full": "Li1 Mg14 Zn1",
"formula_reduced": "LiMg14Zn",
"formula_anonymous": "ABC14",
"energy": -25.71544157,
"energy_per_atom": -1.607215098125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:23.749000Z",
"spacegroup": 187
},
{
"id": "mp-1216353",
"created_at": "2022-09-04T14:39:28.202085Z",
"structure_string": "U1 Al7 Fe3 Cu2\n1.0\n0.000000 0.000000 5.017845\n-4.405379 4.375383 2.508923\n-4.328007 -4.297766 -2.508923\nU Al Fe Cu\n1 7 3 2\ndirect\n0.008027 0.993070 0.009124 U\n0.656430 0.334014 0.646874 Al\n0.346068 0.660532 0.352667 Al\n0.995724 0.352078 0.343527 Al\n0.984586 0.669050 0.638222 Al\n0.277474 0.219293 0.774242 Al\n0.503154 0.788548 0.794856 Al\n0.506967 0.201525 0.215459 Al\n0.725873 0.781870 0.233617 Fe\n0.494249 0.000702 0.497025 Fe\n0.002074 0.000702 0.497025 Fe\n0.498339 0.499307 0.998681 Cu\n0.001034 0.499307 0.998681 Cu\n",
"nsites": 13,
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"elements": [
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"Fe",
"Cu"
],
"chemical_system": "Al-Cu-Fe-U",
"density": 6.305059896499074,
"density_atomic": 0.06841180933102671,
"volume": 190.025671402673,
"volume_molar": 8.80277954769541,
"formula_full": "U1 Al7 Fe3 Cu2",
"formula_reduced": "UAl7Fe3Cu2",
"formula_anonymous": "AB2C3D7",
"energy": -74.53777271,
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"updated_at": "2021-11-28T01:34:38.355000Z",
"spacegroup": 8
},
{
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