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{
"id": "mp-1187247",
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"structure_string": "Sr2 Mo2 O6\n1.0\n-2.889069 2.889069 4.028850\n2.889069 -2.889069 4.028850\n2.889069 2.889069 -4.028850\nSr Mo O\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.196323 0.303677 0.500000 O\n0.303677 0.803677 0.107354 O\n0.696323 0.196323 0.892646 O\n0.803677 0.696323 0.500000 O\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n",
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{
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"structure_string": "Sr2 Mo2 O8\n1.0\n-2.744394 2.744394 6.110874\n2.744394 -2.744394 6.110874\n2.744394 2.744394 -6.110874\nSr Mo O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Mo\n0.750000 0.250000 0.500000 Mo\n0.533011 0.930383 0.127451 O\n0.947067 0.844440 0.627451 O\n0.594440 0.466989 0.397373 O\n0.069617 0.197067 0.602627 O\n0.680383 0.052933 0.897373 O\n0.216989 0.319617 0.372549 O\n0.802933 0.405560 0.872549 O\n0.155560 0.783011 0.102627 O\n",
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"formula_full": "Sr2 Mo2 O8",
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"updated_at": "2021-11-28T01:35:29.745000Z",
"spacegroup": 88
},
{
"id": "mp-1179149",
"created_at": "2022-09-04T14:47:35.716956Z",
"structure_string": "Sr2 Mo2 O8\n1.0\n5.022820 0.039705 -2.097161\n-0.940739 4.977978 -2.140657\n0.077258 0.094380 7.241640\nSr Mo O\n2 2 8\ndirect\n0.375934 0.625934 0.751868 Sr\n0.624066 0.374066 0.248132 Sr\n0.871925 0.121925 0.743850 Mo\n0.128075 0.878075 0.256150 Mo\n0.807398 0.660228 0.093667 O\n0.713731 0.066561 0.906333 O\n0.348831 0.719990 0.416402 O\n0.067571 0.196411 0.416402 O\n0.932430 0.803589 0.583598 O\n0.192602 0.339772 0.906333 O\n0.286269 0.933439 0.093667 O\n0.651169 0.280010 0.583598 O\n",
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"updated_at": "2021-11-28T01:38:16.213000Z",
"spacegroup": 15
},
{
"id": "mp-1046415",
"created_at": "2022-09-04T14:48:03.319200Z",
"structure_string": "Sr2 Mo2 P4 O16\n1.0\n5.619491 0.010295 -1.070068\n-1.498422 6.517223 -2.488291\n-0.012139 -0.130964 9.336613\nSr Mo P O\n2 2 4 16\ndirect\n0.243958 0.758890 0.025850 Sr\n0.756042 0.241110 0.974150 Sr\n0.663672 0.843625 0.562726 Mo\n0.336328 0.156375 0.437274 Mo\n0.392032 0.440288 0.230146 P\n0.607968 0.559712 0.769854 P\n0.845483 0.033531 0.302329 P\n0.154517 0.966469 0.697671 P\n0.830126 0.557427 0.887605 O\n0.626731 0.475751 0.183100 O\n0.645471 0.773776 0.748663 O\n0.951838 0.099423 0.705967 O\n0.373269 0.524249 0.816900 O\n0.992426 0.752400 0.573988 O\n0.007574 0.247600 0.426012 O\n0.281294 0.987484 0.861892 O\n0.354529 0.226224 0.251337 O\n0.718706 0.012516 0.138108 O\n0.169874 0.442573 0.112395 O\n0.407422 0.610461 0.400147 O\n0.592578 0.389539 0.599853 O\n0.639540 0.970625 0.382561 O\n0.048162 0.900577 0.294033 O\n0.360460 0.029376 0.617439 O\n",
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],
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"formula_full": "Sr2 Mo2 P4 O16",
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{
"id": "mp-1346970",
"created_at": "2022-09-04T14:46:05.915334Z",
"structure_string": "Sr2 Mo2 P4 O16\n1.0\n5.720474 0.000000 0.000000\n-0.994783 7.065512 0.000000\n-1.758661 -3.653951 8.411028\nSr Mo P O\n2 2 4 16\ndirect\n0.243958 0.733041 0.025850 Sr\n0.756042 0.266959 0.974150 Sr\n0.663672 0.280899 0.562726 Mo\n0.336328 0.719101 0.437274 Mo\n0.392032 0.210142 0.230146 P\n0.607968 0.789858 0.769854 P\n0.845483 0.731202 0.302329 P\n0.154517 0.268798 0.697671 P\n0.830126 0.669822 0.887605 O\n0.626731 0.292651 0.183100 O\n0.645471 0.025113 0.748663 O\n0.951838 0.393455 0.705967 O\n0.373269 0.707349 0.816900 O\n0.992426 0.178412 0.573988 O\n0.007574 0.821588 0.426012 O\n0.281294 0.125592 0.861892 O\n0.354529 0.974887 0.251337 O\n0.718706 0.874408 0.138108 O\n0.169874 0.330178 0.112395 O\n0.407422 0.210313 0.400147 O\n0.592578 0.789687 0.599853 O\n0.639540 0.588064 0.382561 O\n0.048162 0.606545 0.294033 O\n0.360460 0.411936 0.617439 O\n",
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"formula_full": "Sr2 Mo2 P4 O16",
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"updated_at": "2021-11-28T01:37:24.125000Z",
"spacegroup": 2
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{
"id": "mp-29973",
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"structure_string": "Sr4 N4\n1.0\n1.898704 6.845901 0.000000\n-1.898704 6.845901 0.000000\n0.000000 0.570278 6.736417\nSr N\n4 4\ndirect\n0.646397 0.646397 0.093565 Sr\n0.353603 0.353603 0.906435 Sr\n0.847060 0.847060 0.389368 Sr\n0.152940 0.152940 0.610632 Sr\n0.977441 0.977441 0.082422 N\n0.022559 0.022559 0.917578 N\n0.753512 0.753512 0.749120 N\n0.246488 0.246488 0.250880 N\n",
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{
"id": "mp-1078609",
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"structure_string": "Sr4 N4\n1.0\n3.814031 0.000000 0.000000\n0.000000 5.460992 0.000000\n0.000000 0.000000 7.526129\nSr N\n4 4\ndirect\n0.250000 0.757799 0.626285 Sr\n0.250000 0.742201 0.126285 Sr\n0.750000 0.242201 0.373715 Sr\n0.750000 0.257799 0.873715 Sr\n0.250000 0.264365 0.622759 N\n0.250000 0.235635 0.122759 N\n0.750000 0.735635 0.377241 N\n0.750000 0.764365 0.877241 N\n",
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{
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"structure_string": "Sr1 N1\n1.0\n0.000000 2.694342 2.694342\n2.694342 0.000000 2.694342\n2.694342 2.694342 0.000000\nSr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 N\n",
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{
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{
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"structure_string": "Sr1 N2\n1.0\n-1.932224 1.932224 3.143913\n1.932224 -1.932224 3.143913\n1.932224 1.932224 -3.143913\nSr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.599616 0.599616 0.000000 N\n0.400384 0.400384 0.000000 N\n",
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"spacegroup": 139
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{
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"structure_string": "Sr2 N12\n1.0\n0.000000 5.823578 6.051865\n3.092147 0.000000 6.051865\n3.092147 5.823578 0.000000\nSr N\n2 12\ndirect\n0.495282 0.496574 0.505590 Sr\n0.757348 0.748747 0.740867 Sr\n0.342248 0.905832 0.293372 N\n0.465139 0.289350 0.902507 N\n0.367902 0.385754 0.128905 N\n0.127485 0.128009 0.369227 N\n0.882602 0.871888 0.121260 N\n0.133868 0.116187 0.869203 N\n0.339814 0.913589 0.780763 N\n0.958051 0.787783 0.907879 N\n0.788712 0.965544 0.343360 N\n0.917688 0.339536 0.952403 N\n0.911157 0.343213 0.465912 N\n0.287622 0.454488 0.339271 N\n",
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"volume": 217.95621427776118,
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"formula_full": "Sr2 N12",
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"formula_anonymous": "AB6",
"energy": -109.59591584,
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"spacegroup": 2
},
{
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"structure_string": "Sr2 N12\n1.0\n0.000000 5.823578 6.051865\n3.092147 0.000000 6.051865\n3.092147 5.823578 0.000000\nSr N\n2 12\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n0.289555 0.460473 0.337814 N\n0.912157 0.337814 0.460473 N\n0.123997 0.123997 0.376003 N\n0.376003 0.376003 0.123997 N\n0.126003 0.126003 0.873997 N\n0.873997 0.873997 0.126003 N\n0.789527 0.960445 0.337843 N\n0.912186 0.337843 0.960445 N\n0.337843 0.912186 0.789527 N\n0.960445 0.789527 0.912186 N\n0.460473 0.289555 0.912157 N\n0.337814 0.912157 0.289555 N\n",
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"formula_full": "Sr2 N12",
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"updated_at": "2021-11-28T01:37:58.991000Z",
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]
}