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{
"id": "mp-1102900",
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"structure_string": "Ag8 S4\n1.0\n4.553498 0.000000 -0.088023\n0.000000 7.021124 0.000000\n0.416492 0.000000 8.289812\nAg S\n8 4\ndirect\n0.744262 0.539734 0.231205 Ag\n0.244262 0.960266 0.731205 Ag\n0.255738 0.460266 0.768795 Ag\n0.755738 0.039734 0.268795 Ag\n0.231660 0.823727 0.071263 Ag\n0.731660 0.676273 0.571263 Ag\n0.768340 0.176273 0.928737 Ag\n0.268340 0.323727 0.428737 Ag\n0.423557 0.784082 0.345072 S\n0.923557 0.715918 0.845072 S\n0.576443 0.215918 0.654928 S\n0.076443 0.284082 0.154928 S\n",
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{
"id": "mp-1094520",
"created_at": "2022-09-04T14:48:16.293708Z",
"structure_string": "Mg3 Sb1\n1.0\n0.000000 3.650817 3.650817\n3.650817 0.000000 3.650817\n3.650817 3.650817 0.000000\nMg Sb\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Sb\n",
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"formula_full": "Mg3 Sb1",
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"spacegroup": 225
},
{
"id": "mp-1209536",
"created_at": "2022-09-04T14:48:16.293476Z",
"structure_string": "Rb3 As1 F6\n1.0\n-4.391672 -7.584608 1.148789\n-2.641888 6.580054 -0.552520\n0.737330 1.368953 -6.963056\nRb As F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 As\n0.050831 0.265582 0.782525 F\n0.949169 0.734418 0.217475 F\n0.790878 0.719333 0.793546 F\n0.209122 0.280667 0.206454 F\n0.783349 0.995579 0.064080 F\n0.216651 0.004421 0.935920 F\n",
"nsites": 10,
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"elements": [
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"As",
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],
"chemical_system": "As-F-Rb",
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"density_atomic": 0.030231768447674685,
"volume": 330.7778708780486,
"volume_molar": 19.919908987207133,
"formula_full": "Rb3 As1 F6",
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"energy": -46.22670178,
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"updated_at": "2021-11-28T01:40:09.172000Z",
"spacegroup": 12
},
{
"id": "mp-767469",
"created_at": "2022-09-04T14:48:16.296654Z",
"structure_string": "Ni9 S10\n1.0\n5.948819 0.000000 0.000000\n-0.100294 6.137827 0.000000\n-2.811009 -1.439637 7.123829\nNi S\n9 10\ndirect\n0.086724 0.720860 0.688259 Ni\n0.186443 0.396955 0.886177 Ni\n0.402900 0.811321 0.312967 Ni\n0.597100 0.188679 0.687033 Ni\n0.500000 0.500000 0.500000 Ni\n0.684114 0.896146 0.900738 Ni\n0.813557 0.603045 0.113823 Ni\n0.913276 0.279140 0.311741 Ni\n0.315886 0.103854 0.099262 Ni\n0.476716 0.546897 0.801311 S\n0.710885 0.847589 0.608545 S\n0.877093 0.364164 0.596803 S\n0.313296 0.052062 0.797754 S\n0.122907 0.635836 0.403197 S\n0.082011 0.751911 0.996803 S\n0.289115 0.152411 0.391455 S\n0.523284 0.453103 0.198689 S\n0.686704 0.947938 0.202246 S\n0.917989 0.248089 0.003197 S\n",
"nsites": 19,
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"elements": [
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"density": 5.419284329152718,
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"formula_full": "Ni9 S10",
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"updated_at": "2021-11-28T01:38:51.872000Z",
"spacegroup": 2
},
{
"id": "mp-1246592",
"created_at": "2022-09-04T14:48:16.300072Z",
"structure_string": "Mg2 Fe10 N8\n1.0\n7.264896 0.000000 0.000000\n0.000000 6.044209 0.000000\n0.000000 0.000000 4.538883\nMg Fe N\n2 10 8\ndirect\n0.750000 0.250000 0.723712 Mg\n0.250000 0.750000 0.276288 Mg\n0.574464 0.466417 0.253713 Fe\n0.925536 0.466417 0.253713 Fe\n0.574464 0.033583 0.253713 Fe\n0.925536 0.033583 0.253713 Fe\n0.425536 0.533583 0.746287 Fe\n0.074464 0.533583 0.746287 Fe\n0.425536 0.966417 0.746287 Fe\n0.074464 0.966417 0.746287 Fe\n0.750000 0.750000 0.687913 Fe\n0.250000 0.250000 0.312087 Fe\n0.750000 0.966007 0.979190 N\n0.750000 0.533993 0.979190 N\n0.250000 0.033993 0.020810 N\n0.250000 0.466007 0.020810 N\n0.526211 0.750000 0.455631 N\n0.973789 0.750000 0.455631 N\n0.473789 0.250000 0.544369 N\n0.026211 0.250000 0.544369 N\n",
"nsites": 20,
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"elements": [
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"Fe",
"N"
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"chemical_system": "Fe-Mg-N",
"density": 5.9914058208084295,
"density_atomic": 0.1003487883295784,
"volume": 199.3048479500662,
"volume_molar": 6.00120924252848,
"formula_full": "Mg2 Fe10 N8",
"formula_reduced": "MgFe5N4",
"formula_anonymous": "AB4C5",
"energy": -157.6058717,
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"updated_at": "2021-11-28T01:38:53.517000Z",
"spacegroup": 59
},
{
"id": "mp-777288",
"created_at": "2022-09-04T14:48:16.390738Z",
"structure_string": "Li5 V6 O5 F19\n1.0\n-0.080766 5.184056 -0.003301\n5.385568 0.096537 -0.022046\n2.744201 0.064479 -15.943088\nLi V O F\n5 6 5 19\ndirect\n0.714636 0.023864 0.506295 Li\n0.958444 0.220506 0.789016 Li\n0.827153 0.625373 0.173821 Li\n0.291953 0.518720 0.488285 Li\n0.033286 0.652755 0.890431 Li\n0.508714 0.491889 0.999933 V\n0.027265 0.360800 0.334182 V\n0.982634 0.032475 0.000699 V\n0.465846 0.188816 0.671782 V\n0.521831 0.809685 0.327761 V\n0.975492 0.699833 0.663639 V\n0.209470 0.360145 0.687724 O\n0.284006 0.549585 0.353709 O\n0.781954 0.611113 0.313094 O\n0.791428 0.303625 0.979018 O\n0.781605 0.948451 0.645319 O\n0.299645 0.190184 0.023021 F\n0.220388 0.044707 0.354579 F\n0.719509 0.109624 0.320640 F\n0.430915 0.205746 0.551687 F\n0.082751 0.016431 0.885868 F\n0.074625 0.371249 0.221093 F\n0.931757 0.282978 0.449621 F\n0.585365 0.476317 0.111638 F\n0.616712 0.120282 0.777591 F\n0.186846 0.687056 0.018686 F\n0.716318 0.456755 0.639833 F\n0.919934 0.580246 0.782734 F\n0.384574 0.536746 0.890612 F\n0.908514 0.945160 0.112675 F\n0.096525 0.715787 0.553266 F\n0.570755 0.772522 0.449391 F\n0.424507 0.884315 0.220327 F\n0.281397 0.865999 0.697233 F\n0.702182 0.806239 0.972967 F\n",
"nsites": 35,
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"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.916015983910116,
"density_atomic": 0.07866463617590312,
"volume": 444.926738385162,
"volume_molar": 7.655461275551831,
"formula_full": "Li5 V6 O5 F19",
"formula_reduced": "Li5V6O5F19",
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"energy": -227.78090393,
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"updated_at": "2021-11-28T01:38:31.539000Z",
"spacegroup": 1
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{
"id": "mp-24071",
"created_at": "2022-09-04T14:48:16.320052Z",
"structure_string": "Mn2 H12 S8 O32\n1.0\n15.473892 0.000000 0.000000\n0.000000 5.277104 0.000000\n0.000000 2.019716 8.135681\nMn H S O\n2 12 8 32\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.732401 0.824506 0.297987 H\n0.232401 0.175494 0.202013 H\n0.267599 0.175494 0.702013 H\n0.767599 0.824506 0.797987 H\n0.737329 0.430928 0.159871 H\n0.237329 0.569072 0.340129 H\n0.262671 0.569072 0.840129 H\n0.762671 0.430928 0.659871 H\n0.023222 0.717099 0.611498 H\n0.523222 0.282901 0.888502 H\n0.976778 0.282901 0.388502 H\n0.476778 0.717099 0.111498 H\n0.831939 0.126323 0.249265 S\n0.331939 0.873677 0.250735 S\n0.168061 0.873677 0.750735 S\n0.668061 0.126323 0.749265 S\n0.913941 0.578930 0.766219 S\n0.413941 0.421070 0.733781 S\n0.086059 0.421070 0.233781 S\n0.586059 0.578930 0.266219 S\n0.179502 0.379073 0.272706 O\n0.820498 0.620927 0.727294 O\n0.559510 0.712042 0.392101 O\n0.059510 0.287958 0.107899 O\n0.440490 0.287958 0.607899 O\n0.940490 0.712042 0.892101 O\n0.563676 0.301459 0.307163 O\n0.063676 0.698541 0.192837 O\n0.436324 0.698541 0.692837 O\n0.320498 0.379073 0.772706 O\n0.541893 0.712908 0.099060 O\n0.041893 0.287092 0.400940 O\n0.458107 0.287092 0.900940 O\n0.958107 0.712908 0.599060 O\n0.613367 0.979717 0.663281 O\n0.113367 0.020283 0.836719 O\n0.386633 0.020283 0.336719 O\n0.886633 0.979717 0.163281 O\n0.626824 0.268161 0.855950 O\n0.126824 0.731839 0.644050 O\n0.373176 0.731839 0.144050 O\n0.873176 0.268161 0.355950 O\n0.721209 0.313238 0.613680 O\n0.221209 0.686762 0.886320 O\n0.278791 0.686762 0.386320 O\n0.778791 0.313238 0.113680 O\n0.733997 0.941851 0.857906 O\n0.233997 0.058149 0.642094 O\n0.266003 0.058149 0.142094 O\n0.766003 0.941851 0.357906 O\n0.936324 0.301459 0.807163 O\n0.679502 0.620927 0.227294 O\n",
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{
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"structure_string": "Ca1 Pd5\n1.0\n2.673066 -4.629887 0.000000\n2.673066 4.629887 0.000000\n0.000000 0.000000 4.493409\nCa Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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},
{
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