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{
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{
"id": "mp-631504",
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{
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"formula_full": "Ca12 Ga12 Ir8",
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"spacegroup": 62
},
{
"id": "mp-1207219",
"created_at": "2022-09-04T14:40:41.598599Z",
"structure_string": "Sr8 Fe4 Sb4 O24\n1.0\n8.022955 -0.000068 -0.000088\n4.011501 -8.026970 4.011499\n0.000088 0.000069 -8.022949\nSr Fe Sb O\n8 4 4 24\ndirect\n0.625003 0.249999 0.875001 Sr\n0.375000 0.749999 0.624999 Sr\n0.124999 0.250000 0.375001 Sr\n0.874999 0.749999 0.125000 Sr\n0.375000 0.750001 0.125000 Sr\n0.124999 0.250000 0.875000 Sr\n0.874999 0.750000 0.625001 Sr\n0.624998 0.250000 0.375000 Sr\n0.750000 0.499997 0.249996 Fe\n0.500000 0.000008 0.000002 Fe\n0.000007 0.000003 0.499995 Fe\n0.250006 0.499991 0.750003 Fe\n0.750001 0.500000 0.749999 Sb\n0.500001 0.000001 0.500001 Sb\n0.249999 0.500003 0.250002 Sb\n0.000001 0.999998 0.999998 Sb\n0.748771 0.999882 0.499935 O\n0.498658 0.500105 0.250047 O\n0.248770 0.999883 0.999936 O\n0.998658 0.500107 0.750046 O\n0.251340 0.999893 0.499953 O\n0.001228 0.500117 0.250064 O\n0.751341 0.999895 0.999952 O\n0.501227 0.500119 0.750065 O\n0.874352 0.251290 0.625648 O\n0.624351 0.751292 0.375650 O\n0.374349 0.251294 0.125649 O\n0.124354 0.751288 0.875647 O\n0.125648 0.748709 0.374353 O\n0.875649 0.248706 0.124352 O\n0.625649 0.748706 0.874351 O\n0.375646 0.248710 0.624352 O\n0.999952 0.000108 0.751343 O\n0.750065 0.499883 0.501229 O\n0.499952 0.000106 0.251340 O\n0.250065 0.499882 0.001229 O\n0.999934 0.000120 0.248772 O\n0.750046 0.499894 0.998658 O\n0.499934 0.000118 0.748770 O\n0.250048 0.499892 0.498659 O\n",
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"formula_full": "Sr8 Fe4 Sb4 O24",
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"updated_at": "2021-11-28T01:35:03.539000Z",
"spacegroup": 225
},
{
"id": "mp-1518824",
"created_at": "2022-09-04T14:40:41.613044Z",
"structure_string": "Na1 Sr1 Nd1 W1 O6\n1.0\n0.000000 -4.260139 -4.260139\n4.260139 -0.000000 -4.260139\n4.260139 -4.260139 -0.000000\nNa Sr Nd W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728723 0.271277 0.271277 O\n0.271277 0.728723 0.728723 O\n0.728723 0.271277 0.728723 O\n0.271277 0.728723 0.271277 O\n0.728723 0.728723 0.271277 O\n0.271277 0.271277 0.728723 O\n",
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"density": 5.741804060726759,
"density_atomic": 0.06466937977802555,
"volume": 154.6326875922501,
"volume_molar": 9.312198107776355,
"formula_full": "Na1 Sr1 Nd1 W1 O6",
"formula_reduced": "NaSrNdWO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:35:06.917000Z",
"spacegroup": 216
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{
"id": "mp-1080386",
"created_at": "2022-09-04T14:40:41.618236Z",
"structure_string": "Pr2 Si2 Pt2\n1.0\n-2.123986 2.123986 7.256005\n2.123986 -2.123986 7.256005\n2.123986 2.123986 -7.256005\nPr Si Pt\n2 2 2\ndirect\n0.748820 0.248820 0.500000 Pr\n0.998820 0.998820 0.000000 Pr\n0.168522 0.668522 0.500000 Si\n0.418522 0.418522 0.000000 Si\n0.336658 0.836658 0.500000 Pt\n0.586658 0.586658 0.000000 Pt\n",
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"volume": 130.93654114069125,
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"formula_full": "Pr2 Si2 Pt2",
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"formula_anonymous": "ABC",
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"spacegroup": 109
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{
"id": "mp-1018752",
"created_at": "2022-09-04T14:40:41.725161Z",
"structure_string": "La2 Te2 Cl2\n1.0\n4.556934 0.000000 0.000000\n0.000000 4.556934 0.000000\n0.000000 0.000000 8.336637\nLa Te Cl\n2 2 2\ndirect\n0.000000 0.500000 0.758364 La\n0.500000 0.000000 0.241636 La\n0.000000 0.500000 0.361869 Te\n0.500000 0.000000 0.638131 Te\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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"formula_full": "La2 Te2 Cl2",
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{
"id": "mp-1196048",
"created_at": "2022-09-04T14:40:41.565907Z",
"structure_string": "Ce2 H16 S4 O24\n1.0\n5.847789 0.000000 0.000000\n2.923895 6.094502 0.000000\n2.923895 0.000000 13.534016\nCe H S O\n2 16 4 24\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.500000 0.500000 Ce\n0.736887 0.744919 0.139298 H\n0.621103 0.255081 0.860702 H\n0.518195 0.744919 0.860702 H\n0.123815 0.255081 0.139298 H\n0.013113 0.755081 0.360702 H\n0.128897 0.244919 0.639298 H\n0.231805 0.755081 0.639298 H\n0.626185 0.244919 0.360702 H\n0.669418 0.952871 0.203666 H\n0.825955 0.047129 0.796334 H\n0.377711 0.952871 0.796334 H\n0.126917 0.047129 0.203666 H\n0.080582 0.547129 0.296334 H\n0.924045 0.452871 0.703666 H\n0.372289 0.547129 0.703666 H\n0.623083 0.452871 0.296334 H\n0.057687 0.500000 0.884626 S\n0.442313 0.500000 0.115374 S\n0.692313 0.000000 0.615374 S\n0.307687 0.000000 0.384626 S\n0.084521 0.305265 0.950662 O\n0.340448 0.694735 0.049338 O\n0.610214 0.305265 0.049338 O\n0.964817 0.694735 0.950662 O\n0.665479 0.194735 0.549338 O\n0.409552 0.805265 0.450662 O\n0.139786 0.194735 0.450662 O\n0.785183 0.805265 0.549338 O\n0.314528 0.456567 0.823773 O\n0.594868 0.543433 0.176227 O\n0.228905 0.456567 0.176227 O\n0.861699 0.543433 0.823773 O\n0.435472 0.043433 0.676227 O\n0.155132 0.956567 0.323773 O\n0.521095 0.043433 0.323773 O\n0.888301 0.956567 0.676227 O\n0.766108 0.878374 0.139174 O\n0.783657 0.121626 0.860826 O\n0.355518 0.878374 0.860826 O\n0.094718 0.121626 0.139174 O\n0.983892 0.621626 0.360826 O\n0.966343 0.378374 0.639174 O\n0.394482 0.621626 0.639174 O\n0.655282 0.378374 0.360826 O\n",
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"formula_full": "Ce2 H16 S4 O24",
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{
"id": "mp-807564",
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"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.282218 0.000000 0.000000\n-2.114963 -4.922086 0.000000\n0.912828 2.465225 -7.374653\nLi Fe O F\n8 2 6 2\ndirect\n0.760618 0.127887 0.921569 Li\n0.256662 0.576928 0.916903 Li\n0.216405 0.461110 0.714878 Li\n0.746699 0.753914 0.504250 Li\n0.237709 0.262727 0.500352 Li\n0.784884 0.534160 0.279153 Li\n0.743738 0.434990 0.081746 Li\n0.260331 0.877694 0.051862 Li\n0.780845 0.856903 0.737993 Fe\n0.235015 0.117178 0.288997 Fe\n0.970969 0.946942 0.878806 O\n0.506835 0.407678 0.896611 O\n0.002060 0.727316 0.697617 O\n0.342817 0.676835 0.491925 O\n0.998063 0.271672 0.306572 O\n0.488761 0.577188 0.110310 O\n0.657468 0.331903 0.499088 F\n0.010121 0.056978 0.121366 F\n",
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"spacegroup": 1
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{
"id": "mp-706642",
"created_at": "2022-09-04T14:40:41.597457Z",
"structure_string": "H12 Cl4 O20\n1.0\n6.941559 0.000000 0.000000\n0.000000 8.141117 0.000000\n0.000000 0.000000 9.747288\nH Cl O\n12 4 20\ndirect\n0.640353 0.214094 0.091268 H\n0.859647 0.285906 0.591268 H\n0.140353 0.785906 0.908732 H\n0.359647 0.714094 0.408732 H\n0.359647 0.785906 0.908732 H\n0.140353 0.714094 0.408732 H\n0.859647 0.214094 0.091268 H\n0.640353 0.285906 0.591268 H\n0.750000 0.833746 0.386456 H\n0.750000 0.666254 0.886456 H\n0.250000 0.166254 0.613544 H\n0.250000 0.333746 0.113544 H\n0.250000 0.250550 0.906496 Cl\n0.250000 0.249450 0.406496 Cl\n0.750000 0.749450 0.093504 Cl\n0.750000 0.750550 0.593504 Cl\n0.250000 0.345886 0.783453 O\n0.250000 0.154114 0.283453 O\n0.750000 0.654114 0.216547 O\n0.750000 0.845886 0.716547 O\n0.250000 0.396151 0.026084 O\n0.250000 0.103849 0.526084 O\n0.750000 0.603849 0.973916 O\n0.750000 0.896151 0.473916 O\n0.077086 0.158256 0.928016 O\n0.422914 0.341744 0.428016 O\n0.577086 0.841744 0.071984 O\n0.922914 0.658256 0.571984 O\n0.922914 0.841744 0.071984 O\n0.577086 0.658256 0.571984 O\n0.422914 0.158256 0.928016 O\n0.077086 0.341744 0.428016 O\n0.750000 0.225704 0.152849 O\n0.750000 0.274296 0.652849 O\n0.250000 0.774296 0.847151 O\n0.250000 0.725704 0.347151 O\n",
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{
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