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{
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"results": [
{
"id": "mp-23321",
"created_at": "2022-09-04T14:39:11.578704Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n4.788088 -8.293212 0.000000\n4.788088 8.293212 0.000000\n0.000000 0.000000 7.306594\nSr Cl O\n8 12 2\ndirect\n0.197038 0.394076 0.895709 Sr\n0.802962 0.605924 0.395709 Sr\n0.394076 0.197038 0.395709 Sr\n0.197038 0.802962 0.895709 Sr\n0.605924 0.802962 0.895709 Sr\n0.802962 0.197038 0.395709 Sr\n0.333333 0.666667 0.326327 Sr\n0.666667 0.333333 0.826327 Sr\n0.858617 0.717234 0.784130 Cl\n0.141383 0.282766 0.284130 Cl\n0.717234 0.858617 0.284130 Cl\n0.858617 0.141383 0.784130 Cl\n0.534804 0.465196 0.108107 Cl\n0.069608 0.534804 0.608107 Cl\n0.465196 0.930392 0.608107 Cl\n0.534804 0.069608 0.108107 Cl\n0.930392 0.465196 0.108107 Cl\n0.465196 0.534804 0.608107 Cl\n0.141383 0.858617 0.284130 Cl\n0.282766 0.141383 0.784130 Cl\n0.666667 0.333333 0.501282 O\n0.333333 0.666667 0.001282 O\n",
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{
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{
"id": "mp-676935",
"created_at": "2022-09-04T14:39:11.584345Z",
"structure_string": "Cr10 Sb3 Te7\n1.0\n7.167046 0.000000 0.000000\n-3.570563 -6.222751 0.000000\n-2.372728 1.349558 -9.742835\nCr Sb Te\n10 3 7\ndirect\n0.004853 0.005045 0.001409 Cr\n0.807653 0.400456 0.803037 Cr\n0.594704 0.794193 0.602024 Cr\n0.400440 0.198431 0.897717 Cr\n0.420203 0.211019 0.397280 Cr\n0.200941 0.603598 0.701950 Cr\n0.205619 0.605909 0.200232 Cr\n0.003006 0.001707 0.501629 Cr\n0.797702 0.397257 0.307605 Cr\n0.603443 0.801019 0.103623 Cr\n0.205268 0.769837 0.950636 Sb\n0.800560 0.570431 0.555967 Sb\n0.598637 0.963049 0.353342 Sb\n0.603500 0.634689 0.852787 Te\n0.000329 0.165153 0.749777 Te\n0.412377 0.039918 0.647305 Te\n0.204874 0.436598 0.449471 Te\n0.002699 0.830834 0.253436 Te\n0.393510 0.366566 0.152005 Te\n0.798041 0.234245 0.054002 Te\n",
"nsites": 20,
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"formula_full": "Cr10 Sb3 Te7",
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{
"id": "mp-1218499",
"created_at": "2022-09-04T14:39:11.589598Z",
"structure_string": "Sr3 La1 Ta3 O12\n1.0\n9.315356 -2.843560 0.000000\n9.315356 2.843560 0.000000\n8.447345 0.000000 4.848099\nSr La Ta O\n3 1 3 12\ndirect\n0.138345 0.138345 0.138345 Sr\n0.713581 0.713581 0.713581 Sr\n0.285959 0.285959 0.285959 Sr\n0.855992 0.855992 0.855992 La\n0.576976 0.576976 0.576976 Ta\n0.423032 0.423032 0.423032 Ta\n0.000135 0.000135 0.000135 Ta\n0.792732 0.792732 0.293163 O\n0.293163 0.792732 0.792732 O\n0.792732 0.293163 0.792732 O\n0.209257 0.209257 0.705742 O\n0.705742 0.209257 0.209257 O\n0.209257 0.705742 0.209257 O\n0.374850 0.374850 0.882743 O\n0.882743 0.374850 0.374850 O\n0.374850 0.882743 0.374850 O\n0.627389 0.627389 0.115878 O\n0.115878 0.627389 0.627389 O\n0.627389 0.115878 0.627389 O\n",
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"chemical_system": "La-O-Sr-Ta",
"density": 7.348423044377441,
"density_atomic": 0.0739759025302598,
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"formula_full": "Sr3 La1 Ta3 O12",
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"updated_at": "2021-11-28T01:34:35.030000Z",
"spacegroup": 160
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{
"id": "mp-979234",
"created_at": "2022-09-04T14:39:11.590090Z",
"structure_string": "Sm6 Y2\n1.0\n3.672624 -6.361171 0.000000\n3.672624 6.361171 0.000000\n0.000000 0.000000 5.818866\nSm Y\n6 2\ndirect\n0.166592 0.333185 0.250000 Sm\n0.666815 0.833408 0.250000 Sm\n0.166592 0.833408 0.250000 Sm\n0.833408 0.666815 0.750000 Sm\n0.333185 0.166592 0.750000 Sm\n0.833408 0.166592 0.750000 Sm\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
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"elements": [
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],
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"density": 6.5959838340259145,
"density_atomic": 0.029424432594236008,
"volume": 271.88289780538133,
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"formula_full": "Sm6 Y2",
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"formula_anonymous": "AB3",
"energy": -41.08065155,
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{
"id": "mp-579224",
"created_at": "2022-09-04T14:39:11.622110Z",
"structure_string": "P32 S72\n1.0\n-9.418380 9.418380 9.418380\n9.418380 -9.418380 9.418380\n9.418380 9.418380 -9.418380\nP S\n32 72\ndirect\n0.755346 0.396552 0.853612 P\n0.853612 0.755346 0.396552 P\n0.141206 0.542939 0.896552 P\n0.244654 0.603448 0.146388 P\n0.042939 0.901734 0.646388 P\n0.662597 0.500000 0.000000 P\n0.858794 0.457061 0.103448 P\n0.901734 0.646388 0.042939 P\n0.000000 0.662597 0.500000 P\n0.000000 0.337403 0.500000 P\n0.641206 0.744654 0.598266 P\n0.162597 0.162597 0.162597 P\n0.103448 0.858794 0.457061 P\n0.603448 0.146388 0.244654 P\n0.337403 0.500000 0.000000 P\n0.646388 0.042939 0.901734 P\n0.401734 0.358794 0.255346 P\n0.396552 0.853612 0.755346 P\n0.358794 0.255346 0.401734 P\n0.744654 0.598266 0.641206 P\n0.837403 0.837403 0.837403 P\n0.542939 0.896552 0.141206 P\n0.255346 0.401734 0.358794 P\n0.353612 0.957061 0.098266 P\n0.457061 0.103448 0.858794 P\n0.500000 0.000000 0.662597 P\n0.146388 0.244654 0.603448 P\n0.896552 0.141206 0.542939 P\n0.500000 0.000000 0.337403 P\n0.957061 0.098266 0.353612 P\n0.598266 0.641206 0.744654 P\n0.098266 0.353612 0.957061 P\n0.722132 0.721740 0.303425 S\n0.581293 0.803425 0.081685 S\n0.145560 0.964796 0.602786 S\n0.464796 0.319236 0.362010 S\n0.303425 0.722132 0.721740 S\n0.227491 0.354643 0.956472 S\n0.854643 0.627152 0.398171 S\n0.771019 0.872848 0.727491 S\n0.898171 0.271019 0.543528 S\n0.897214 0.862010 0.542774 S\n0.918707 0.000392 0.222132 S\n0.957226 0.819236 0.354440 S\n0.872848 0.727491 0.771019 S\n0.398171 0.854643 0.627152 S\n0.277868 0.278260 0.696575 S\n0.221740 0.499608 0.418315 S\n0.627152 0.398171 0.854643 S\n0.271019 0.543528 0.898171 S\n0.854440 0.035204 0.397214 S\n0.803425 0.081685 0.581293 S\n0.354440 0.957226 0.819236 S\n0.727491 0.771019 0.872848 S\n0.101829 0.728981 0.456472 S\n0.081293 0.999608 0.777868 S\n0.081685 0.581293 0.803425 S\n0.862010 0.542774 0.897214 S\n0.721740 0.303425 0.722132 S\n0.228981 0.127152 0.272509 S\n0.637990 0.535204 0.680764 S\n0.542774 0.897214 0.862010 S\n0.137990 0.457226 0.102786 S\n0.535204 0.680764 0.637990 S\n0.180764 0.645560 0.042774 S\n0.696575 0.277868 0.278260 S\n0.145357 0.372848 0.601829 S\n0.772509 0.645357 0.043528 S\n0.819236 0.354440 0.957226 S\n0.581685 0.778260 0.500392 S\n0.601829 0.145357 0.372848 S\n0.222132 0.918707 0.000392 S\n0.035204 0.397214 0.854440 S\n0.196575 0.918315 0.418707 S\n0.645560 0.042774 0.180764 S\n0.956472 0.227491 0.354643 S\n0.500392 0.581685 0.778260 S\n0.272509 0.228981 0.127152 S\n0.499608 0.418315 0.221740 S\n0.372848 0.601829 0.145357 S\n0.354643 0.956472 0.227491 S\n0.127152 0.272509 0.228981 S\n0.999608 0.777868 0.081293 S\n0.728981 0.456472 0.101829 S\n0.418707 0.196575 0.918315 S\n0.418315 0.221740 0.499608 S\n0.602786 0.145560 0.964796 S\n0.680764 0.637990 0.535204 S\n0.397214 0.854440 0.035204 S\n0.362010 0.464796 0.319236 S\n0.964796 0.602786 0.145560 S\n0.102786 0.137990 0.457226 S\n0.645357 0.043528 0.772509 S\n0.456472 0.101829 0.728981 S\n0.278260 0.696575 0.277868 S\n0.000392 0.222132 0.918707 S\n0.543528 0.898171 0.271019 S\n0.778260 0.500392 0.581685 S\n0.777868 0.081293 0.999608 S\n0.042774 0.180764 0.645560 S\n0.319236 0.362010 0.464796 S\n0.043528 0.772509 0.645357 S\n0.918315 0.418707 0.196575 S\n0.457226 0.102786 0.137990 S\n",
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"formula_full": "P32 S72",
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{
"id": "mp-1096607",
"created_at": "2022-09-04T14:39:11.634538Z",
"structure_string": "Zn2 Cu1 Pd1\n1.0\n-4.764092 4.900938 6.916237\n4.764092 -4.900938 6.916237\n4.764092 4.900938 -6.916237\nZn Cu Pd\n2 1 1\ndirect\n0.000000 0.247263 0.247263 Zn\n0.000000 0.752737 0.752737 Zn\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
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"formula_full": "Zn2 Cu1 Pd1",
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{
"id": "mp-767407",
"created_at": "2022-09-04T14:39:11.646440Z",
"structure_string": "Li20 Sb4 S4\n1.0\n8.724637 0.000000 0.000000\n0.000000 6.255739 0.000000\n0.000000 0.232385 9.070272\nLi Sb S\n20 4 4\ndirect\n0.747622 0.935467 0.488816 Li\n0.521710 0.227964 0.995623 Li\n0.295841 0.196061 0.219700 Li\n0.528485 0.283623 0.473608 Li\n0.255639 0.292857 0.742808 Li\n0.988058 0.276658 0.505565 Li\n0.750595 0.188486 0.211630 Li\n0.781056 0.279100 0.735887 Li\n0.027307 0.449921 0.209983 Li\n0.023295 0.229514 0.961105 Li\n0.523295 0.770486 0.038895 Li\n0.527307 0.550079 0.790017 Li\n0.281056 0.720900 0.264113 Li\n0.250595 0.811514 0.788370 Li\n0.488058 0.723342 0.494435 Li\n0.755639 0.707143 0.257192 Li\n0.028485 0.716377 0.526392 Li\n0.795841 0.803939 0.780300 Li\n0.021710 0.772036 0.004377 Li\n0.247622 0.064533 0.511184 Li\n0.518659 0.012250 0.723868 Sb\n0.273589 0.502670 0.001747 Sb\n0.773589 0.497330 0.998253 Sb\n0.018659 0.987750 0.276132 Sb\n0.024810 0.023391 0.725406 S\n0.261836 0.472046 0.489209 S\n0.761836 0.527954 0.510791 S\n0.524810 0.976609 0.274594 S\n",
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{
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"structure_string": "Mn1 Fe4\n1.0\n0.000000 1.997135 10.038394\n1.406455 0.000000 10.038394\n1.406455 1.997135 0.000000\nMn Fe\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.400737 0.400737 0.599263 Fe\n0.800271 0.800271 0.199729 Fe\n0.199729 0.199729 0.800271 Fe\n0.599263 0.599263 0.400737 Fe\n",
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{
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"structure_string": "Mg16 Al12 Os1\n1.0\n7.666378 -4.426185 3.129786\n-0.138607 8.452246 2.903441\n-7.389164 -4.106085 2.903441\nMg Al Os\n16 12 1\ndirect\n0.005100 0.358752 0.000000 Mg\n0.318942 0.590874 0.000000 Mg\n0.562591 0.247708 0.000000 Mg\n0.984416 0.999999 0.000000 Mg\n0.562591 0.000000 0.247708 Mg\n0.680815 0.671105 0.272640 Mg\n0.009711 0.601535 0.328895 Mg\n0.005101 0.000000 0.358752 Mg\n0.408176 0.727360 0.398465 Mg\n0.728069 0.409127 0.409126 Mg\n0.318943 0.000000 0.590873 Mg\n0.009711 0.328895 0.601535 Mg\n0.646348 0.641247 0.641247 Mg\n0.680815 0.272640 0.671104 Mg\n0.408176 0.398465 0.727360 Mg\n0.314883 0.752291 0.752291 Mg\n0.811040 0.608002 0.000000 Al\n0.654030 0.806315 0.000001 Al\n0.184048 0.817800 0.178989 Al\n0.366248 0.361189 0.182199 Al\n0.847714 0.193685 0.193684 Al\n0.366248 0.182199 0.361189 Al\n0.203038 0.392000 0.391999 Al\n0.811040 0.000000 0.608001 Al\n0.005059 0.821011 0.638811 Al\n0.654030 0.000000 0.806315 Al\n0.184048 0.178989 0.817800 Al\n0.005059 0.638811 0.821011 Al\n0.264014 0.000000 0.000000 Os\n",
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"elements": [
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],
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"density": 2.6304819031813804,
"density_atomic": 0.05088035291432599,
"volume": 569.9646000653956,
"volume_molar": 11.835886378658339,
"formula_full": "Mg16 Al12 Os1",
"formula_reduced": "Mg16Al12Os",
"formula_anonymous": "AB12C16",
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"energy_uncorrected": -82.14400498,
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"updated_at": "2021-11-28T01:34:42.526000Z",
"spacegroup": 160
},
{
"id": "mp-570686",
"created_at": "2022-09-04T14:39:11.662073Z",
"structure_string": "Sn4 Bi4\n1.0\n3.303002 -5.612953 0.000000\n3.303002 5.612953 0.000000\n0.000000 0.000000 6.526946\nSn Bi\n4 4\ndirect\n0.340712 0.340712 0.822757 Sn\n0.659288 0.659288 0.177243 Sn\n0.840712 0.840712 0.677243 Sn\n0.159288 0.159288 0.322757 Sn\n0.790607 0.209393 0.000000 Bi\n0.290607 0.709393 0.500000 Bi\n0.709393 0.290607 0.500000 Bi\n0.209393 0.790607 0.000000 Bi\n",
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"elements": [
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"volume": 242.0138706567046,
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"formula_full": "Sn4 Bi4",
"formula_reduced": "SnBi",
"formula_anonymous": "AB",
"energy": -31.11701022,
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"updated_at": "2021-11-28T01:34:40.062000Z",
"spacegroup": 64
},
{
"id": "mp-39387",
"created_at": "2022-09-04T14:39:06.498898Z",
"structure_string": "Sr2 Li2 Ta4 O12 F2\n1.0\n-3.710337 3.763242 5.267826\n3.710337 -3.763242 5.267826\n3.710337 3.763242 -5.267826\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.063512 0.930541 0.745370 O\n0.071113 0.321113 0.750000 O\n0.063512 0.318142 0.132971 O\n0.685171 0.930541 0.367029 O\n0.936488 0.069459 0.254630 O\n0.688605 0.938605 0.750000 O\n0.928887 0.678887 0.250000 O\n0.685171 0.318142 0.754630 O\n0.936488 0.681858 0.867029 O\n0.314829 0.069459 0.632971 O\n0.314829 0.681858 0.245370 O\n0.311395 0.061395 0.250000 O\n0.600630 0.350630 0.250000 F\n0.399370 0.649370 0.750000 F\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "F-Li-O-Sr-Ta",
"density": 6.450473584815776,
"density_atomic": 0.0747748867140229,
"volume": 294.21642702233925,
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"formula_full": "Sr2 Li2 Ta4 O12 F2",
"formula_reduced": "SrLiTa2O6F",
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"updated_at": "2021-11-28T01:34:26.934000Z",
"spacegroup": 74
}
]
}