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{
"id": "mp-976407",
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"structure_string": "Li3 Ac1\n1.0\n-2.390342 2.390342 4.924086\n2.390342 -2.390342 4.924086\n2.390342 2.390342 -4.924086\nLi Ac\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ac\n",
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{
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"spacegroup": 194
},
{
"id": "mp-1185011",
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"structure_string": "La3 Zr1\n1.0\n5.062080 0.000000 0.000000\n0.000000 5.062080 0.000000\n0.000000 0.000000 5.062080\nLa Zr\n3 1\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Zr\n",
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"formula_full": "La3 Zr1",
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"updated_at": "2021-11-28T01:36:45.047000Z",
"spacegroup": 221
},
{
"id": "mp-30709",
"created_at": "2022-09-04T14:46:58.724452Z",
"structure_string": "La2 Zn17\n1.0\n5.187355 -4.565131 0.000000\n5.187355 4.565131 0.000000\n1.169813 0.000000 6.810331\nLa Zn\n2 17\ndirect\n0.663514 0.663514 0.663514 La\n0.336486 0.336486 0.336486 La\n0.348550 0.348550 0.839732 Zn\n0.839732 0.348550 0.348550 Zn\n0.098378 0.098378 0.098378 Zn\n0.901622 0.901622 0.901622 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.290522 0.709478 0.000000 Zn\n0.709478 0.000000 0.290522 Zn\n0.000000 0.290522 0.709478 Zn\n0.709478 0.290522 0.000000 Zn\n0.290522 0.000000 0.709478 Zn\n0.000000 0.709478 0.290522 Zn\n0.160268 0.651450 0.651450 Zn\n0.651450 0.651450 0.160268 Zn\n0.651450 0.160268 0.651450 Zn\n0.348550 0.839732 0.348550 Zn\n",
"nsites": 19,
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"elements": [
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"chemical_system": "La-Zn",
"density": 7.154721044811085,
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"formula_full": "La2 Zn17",
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"energy": -36.47651627,
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"updated_at": "2021-11-28T01:37:49.174000Z",
"spacegroup": 166
},
{
"id": "mp-567258",
"created_at": "2022-09-04T14:43:23.609906Z",
"structure_string": "La2 Zn4\n1.0\n-2.351194 3.792570 3.813590\n2.351194 -3.792570 3.813590\n2.351194 3.792570 -3.813590\nLa Zn\n2 4\ndirect\n0.207181 0.750000 0.457181 La\n0.792819 0.250000 0.542819 La\n0.397186 0.562083 0.835103 Zn\n0.602814 0.437917 0.164897 Zn\n0.226980 0.062083 0.164897 Zn\n0.773020 0.937917 0.835103 Zn\n",
"nsites": 6,
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"elements": [
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"density": 6.585394093066508,
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"volume": 136.0241628015776,
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"formula_full": "La2 Zn4",
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"energy": -17.14585038,
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"updated_at": "2021-11-28T01:36:18.412000Z",
"spacegroup": 74
},
{
"id": "mp-1185085",
"created_at": "2022-09-04T14:47:59.398158Z",
"structure_string": "La3 Zn1\n1.0\n-2.437615 2.437615 5.088724\n2.437615 -2.437615 5.088724\n2.437615 2.437615 -5.088724\nLa Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 6.619268585939723,
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"volume": 120.94811804526351,
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"formula_full": "La3 Zn1",
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"updated_at": "2021-11-28T01:38:26.307000Z",
"spacegroup": 139
},
{
"id": "mp-2615",
"created_at": "2022-09-04T14:43:35.941352Z",
"structure_string": "La1 Zn1\n1.0\n3.760000 0.000000 0.000000\n0.000000 3.760000 0.000000\n0.000000 0.000000 3.760000\nLa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Zn\n",
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"density": 6.382409833522892,
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"formula_full": "La1 Zn1",
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"updated_at": "2021-11-28T01:36:18.226000Z",
"spacegroup": 221
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{
"id": "mp-1200584",
"created_at": "2022-09-04T14:44:59.593684Z",
"structure_string": "La6 Zn44\n1.0\n-4.497553 4.497553 10.707506\n4.497553 -4.497553 10.707506\n4.497553 4.497553 -10.707506\nLa Zn\n6 44\ndirect\n0.620175 0.620175 0.000000 La\n0.370175 0.870175 0.500000 La\n0.129825 0.629825 0.500000 La\n0.379825 0.379825 0.000000 La\n0.750000 0.250000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.070487 0.546053 0.989178 Zn\n0.556875 0.546053 0.475567 Zn\n0.296053 0.320487 0.489178 Zn\n0.831308 0.320487 0.024433 Zn\n0.070487 0.081308 0.524433 Zn\n0.556875 0.081308 0.010822 Zn\n0.296053 0.806875 0.975567 Zn\n0.831308 0.806875 0.510822 Zn\n0.679513 0.703947 0.510822 Zn\n0.193125 0.703947 0.024433 Zn\n0.453947 0.929513 0.010822 Zn\n0.918692 0.929513 0.475567 Zn\n0.679513 0.168692 0.975567 Zn\n0.193125 0.168692 0.489178 Zn\n0.453947 0.443125 0.524433 Zn\n0.918692 0.443125 0.989178 Zn\n0.498183 0.271880 0.773697 Zn\n0.021880 0.748183 0.273697 Zn\n0.474486 0.748183 0.726303 Zn\n0.498183 0.724486 0.226303 Zn\n0.251817 0.978120 0.726303 Zn\n0.728120 0.501817 0.226303 Zn\n0.275514 0.501817 0.773697 Zn\n0.251817 0.525514 0.273697 Zn\n0.758316 0.611403 0.853087 Zn\n0.361403 0.008316 0.353087 Zn\n0.655229 0.008316 0.646913 Zn\n0.758316 0.905229 0.146913 Zn\n0.991684 0.638597 0.646913 Zn\n0.388597 0.241684 0.146913 Zn\n0.094771 0.241684 0.853087 Zn\n0.991684 0.344771 0.353087 Zn\n0.611699 0.961388 0.349689 Zn\n0.711388 0.861699 0.849689 Zn\n0.012009 0.861699 0.150311 Zn\n0.611699 0.262009 0.650311 Zn\n0.138301 0.288612 0.150311 Zn\n0.038612 0.388301 0.650311 Zn\n0.737991 0.388301 0.349689 Zn\n0.138301 0.987991 0.849689 Zn\n0.875000 0.625000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.875000 0.125000 0.750000 Zn\n0.875000 0.125000 0.250000 Zn\n",
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"formula_full": "La6 Zn44",
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{
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"structure_string": "La1 Zn5\n1.0\n2.730869 -4.730004 0.000000\n2.730869 4.730004 0.000000\n0.000000 0.000000 4.298658\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:39:06.476600Z",
"structure_string": "La2 Zn22\n1.0\n-5.350288 5.350288 3.442904\n5.350288 -5.350288 3.442904\n5.350288 5.350288 -3.442904\nLa Zn\n2 22\ndirect\n0.250000 0.750000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.902922 0.575081 0.084311 Zn\n0.625000 0.875000 0.250000 Zn\n0.424919 0.509230 0.327841 Zn\n0.490770 0.575081 0.672159 Zn\n0.424919 0.097078 0.915689 Zn\n0.759230 0.174919 0.827841 Zn\n0.490770 0.818611 0.915689 Zn\n0.500000 0.500000 0.000000 Zn\n0.759230 0.931389 0.584311 Zn\n0.750000 0.250000 0.500000 Zn\n0.068611 0.652922 0.827841 Zn\n0.125000 0.375000 0.750000 Zn\n0.347078 0.174919 0.415689 Zn\n0.825081 0.652922 0.584311 Zn\n0.902922 0.818611 0.327841 Zn\n0.181389 0.097078 0.672159 Zn\n0.068611 0.240770 0.415689 Zn\n0.347078 0.931389 0.172159 Zn\n0.825081 0.240770 0.172159 Zn\n0.181389 0.509230 0.084311 Zn\n0.625000 0.375000 0.250000 Zn\n0.625000 0.375000 0.750000 Zn\n",
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{
"id": "mp-1184975",
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"structure_string": "La3 Zn1\n1.0\n4.963663 0.000000 0.000000\n0.000000 4.963663 0.000000\n0.000000 0.000000 4.963663\nLa Zn\n3 1\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Zn\n",
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{
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"structure_string": "La2 Zn6\n1.0\n3.313848 -5.739753 0.000000\n3.313848 5.739753 0.000000\n0.000000 0.000000 4.463609\nLa Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.857184 0.714367 0.750000 Zn\n0.285633 0.142816 0.750000 Zn\n0.857184 0.142816 0.750000 Zn\n0.142816 0.285633 0.250000 Zn\n0.714367 0.857184 0.250000 Zn\n0.142816 0.857184 0.250000 Zn\n",
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]
}