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{
"id": "jvasp-10190",
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{
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"structure_string": "Sr4 P12\n1.0\n6.720868 -0.006347 1.339519\n2.598656 6.198154 1.339519\n0.002508 0.001666 8.613095\nSr P\n4 12\ndirect\n0.042042 0.042042 0.259377 Sr\n0.707045 0.707044 0.225149 Sr\n0.292956 0.292956 0.774851 Sr\n0.957959 0.957958 0.740623 Sr\n0.359969 0.837658 0.977399 P\n0.094624 0.605141 0.487618 P\n0.324993 0.324993 0.161601 P\n0.394860 0.905376 0.512382 P\n0.418931 0.418930 0.365170 P\n0.675008 0.675007 0.838398 P\n0.605142 0.094624 0.487618 P\n0.581071 0.581070 0.634829 P\n0.640033 0.162342 0.022600 P\n0.905377 0.394859 0.512382 P\n0.837659 0.359968 0.977399 P\n0.162343 0.640032 0.022600 P\n",
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{
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"updated_at": "2022-09-04T14:36:43.786650Z",
"structure_string": "Sr2 P6\n1.0\n5.435840 -0.006452 1.776719\n1.488567 5.547171 1.340267\n-0.007643 -0.007316 5.897723\nSr P\n2 6\ndirect\n0.147978 0.662719 0.662719 Sr\n0.852023 0.337281 0.337281 Sr\n0.305554 0.991041 0.991042 P\n0.694447 0.008958 0.008958 P\n0.681330 0.396906 0.883167 P\n0.318672 0.116832 0.603093 P\n0.318672 0.603094 0.116832 P\n0.681330 0.883168 0.396906 P\n",
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"formula_full": "Sr2 P6",
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"spacegroup": 12
},
{
"id": "jvasp-20215",
"created_at": "2022-09-04T14:38:34.468069Z",
"updated_at": "2022-09-04T14:38:34.468088Z",
"structure_string": "Sr6 P28\n1.0\n0.000000 6.376395 -0.011153\n12.764134 0.000000 0.000000\n0.000000 -6.347998 -9.745032\nSr P\n6 28\ndirect\n-0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.184837 0.841981 0.880690 Sr\n0.815163 0.341981 0.619309 Sr\n0.815163 0.158018 0.119310 Sr\n0.184837 0.658018 0.380690 Sr\n0.584513 0.947023 0.178760 P\n0.248685 0.774665 0.635171 P\n0.751314 0.274665 0.864828 P\n0.751315 0.225335 0.364828 P\n0.248686 0.725335 0.135172 P\n0.264912 0.000270 0.185178 P\n0.264912 0.499729 0.685178 P\n0.415487 0.447024 0.321239 P\n0.735088 0.500270 0.314822 P\n0.029785 0.645874 0.643472 P\n0.970215 0.145874 0.856527 P\n0.735088 0.999729 0.814822 P\n0.415487 0.052976 0.821239 P\n0.368221 0.288813 0.227503 P\n0.631779 0.788813 0.272496 P\n0.970215 0.354126 0.356527 P\n0.368221 0.211187 0.727503 P\n0.631779 0.711187 0.772496 P\n0.291415 0.919038 0.364567 P\n0.708585 0.419038 0.135433 P\n0.708585 0.080962 0.635433 P\n0.291415 0.580962 0.864566 P\n0.621971 0.820126 0.457792 P\n0.378029 0.320127 0.042208 P\n0.378029 0.179873 0.542208 P\n0.621971 0.679873 0.957791 P\n0.584513 0.552976 0.678760 P\n0.029785 0.854126 0.143472 P\n",
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"formula_full": "Sr6 P28",
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{
"id": "jvasp-2751",
"created_at": "2022-09-04T14:38:03.939621Z",
"updated_at": "2022-09-04T14:38:03.939650Z",
"structure_string": "Sr1 Zn2 P2\n1.0\n2.058181 -3.564874 0.000000\n2.058181 3.564874 0.000000\n0.000000 0.000000 7.109580\nSr Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.631628 Zn\n0.333333 0.666667 0.368372 Zn\n0.666667 0.333333 0.272566 P\n0.333333 0.666667 0.727434 P\n",
"nsites": 5,
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"elements": [
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"formula_full": "Sr1 Zn2 P2",
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"spacegroup": 164
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{
"id": "jvasp-99503",
"created_at": "2022-09-04T14:36:43.619654Z",
"updated_at": "2022-09-04T14:36:43.619673Z",
"structure_string": "Sr2 Zn1 P2\n1.0\n4.231991 0.000000 0.000000\n-2.115996 3.665012 0.000000\n-0.000000 -0.000000 8.320507\nSr Zn P\n2 1 2\ndirect\n0.000000 0.000000 0.705730 Sr\n0.000000 0.000000 0.294271 Sr\n0.666666 0.333333 -0.000000 Zn\n0.666666 0.333333 0.500000 P\n0.333332 0.666666 -0.000000 P\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.038743609400083756,
"volume": 129.05354140776547,
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"formula_full": "Sr2 Zn1 P2",
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"spacegroup": 187
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{
"id": "jvasp-92290",
"created_at": "2022-09-04T14:36:22.441987Z",
"updated_at": "2022-09-04T14:36:22.442012Z",
"structure_string": "Sr1 Zn2 P2\n1.0\n-2.058182 -3.564880 -0.000002\n-2.058186 3.564881 0.000000\n-0.000005 -0.000002 -7.109720\nSr Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333336 0.666668 0.631657 Zn\n0.666664 0.333332 0.368343 Zn\n0.333331 0.666665 0.272584 P\n0.666668 0.333334 0.727416 P\n",
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},
{
"id": "jvasp-4510",
"created_at": "2022-09-04T14:35:50.789330Z",
"updated_at": "2022-09-04T14:35:50.789360Z",
"structure_string": "Sc2 P2 S8\n1.0\n6.238132 -0.025616 0.003045\n1.006789 6.394695 0.076440\n0.146907 0.430979 6.637896\nSc P S\n2 2 8\ndirect\n0.794900 0.303446 0.934684 Sc\n0.205100 0.696552 0.065318 Sc\n0.690539 0.734791 0.192838 P\n0.309461 0.265208 0.807164 P\n0.577953 0.237860 0.630336 S\n0.422048 0.762139 0.369666 S\n0.884587 0.963263 0.218905 S\n0.115414 0.036735 0.781096 S\n0.596057 0.718035 0.898704 S\n0.403943 0.281963 0.101298 S\n0.918488 0.469994 0.256451 S\n0.081512 0.530005 0.743550 S\n",
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"volume": 264.75584197918363,
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"spacegroup": 2
},
{
"id": "jvasp-20934",
"created_at": "2022-09-04T14:38:18.976129Z",
"updated_at": "2022-09-04T14:38:18.976147Z",
"structure_string": "Sm8 P8 S32\n1.0\n9.704437 0.000000 -4.756515\n-2.331350 9.420239 -4.756515\n0.013149 0.016800 12.304780\nSm P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Sm\n0.875000 0.625000 0.750000 Sm\n0.625000 0.875000 0.250000 Sm\n0.375000 0.625000 0.750000 Sm\n0.625000 0.375000 0.250000 Sm\n0.125000 0.875000 0.250000 Sm\n0.875000 0.125000 0.750000 Sm\n0.375000 0.125000 0.750000 Sm\n0.287541 0.250000 0.500000 P\n0.787541 0.250000 0.500000 P\n0.750000 0.787541 -0.000000 P\n0.250000 0.712459 -0.000000 P\n0.712459 0.750000 0.500000 P\n0.212459 0.750000 0.500000 P\n0.250000 0.212459 -0.000000 P\n0.750000 0.287541 -0.000000 P\n0.907943 0.886068 0.994583 S\n0.165139 0.731226 0.824212 S\n0.092058 0.113932 0.005416 S\n0.391484 0.092058 0.505416 S\n0.113933 0.913359 0.505416 S\n0.108516 0.586641 0.494583 S\n0.407943 0.108516 0.994583 S\n0.907014 0.840926 0.675787 S\n0.386068 0.407942 0.494583 S\n0.913359 0.391484 0.005416 S\n0.586641 0.386068 0.994583 S\n0.768774 0.334861 0.675787 S\n0.840926 0.768774 0.175787 S\n0.334861 0.907014 0.175787 S\n0.608516 0.907943 0.494583 S\n0.886068 0.086641 0.494583 S\n0.413359 0.613933 0.005416 S\n0.592058 0.891484 0.005416 S\n0.891484 0.413359 0.505416 S\n0.613933 0.592058 0.505416 S\n0.340926 0.407014 0.175787 S\n0.086641 0.608516 0.994583 S\n0.268774 0.340926 0.675787 S\n0.665139 0.092986 0.824213 S\n0.159074 0.231226 0.824213 S\n0.231226 0.665139 0.324212 S\n0.092986 0.159074 0.324213 S\n0.659074 0.592987 0.824212 S\n0.731227 0.659074 0.324212 S\n0.592987 0.165139 0.324213 S\n0.407014 0.834861 0.675787 S\n0.834862 0.268774 0.175787 S\n",
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"formula_full": "Sm8 P8 S32",
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{
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"created_at": "2022-09-04T14:37:00.283514Z",
"updated_at": "2022-09-04T14:37:00.283539Z",
"structure_string": "Sn4 P4 S12\n1.0\n0.000000 6.622364 -0.005029\n7.462293 0.000000 0.000000\n0.000000 -6.373421 -9.360468\nSn P S\n4 4 12\ndirect\n0.266433 0.626128 0.229431 Sn\n0.733567 0.126129 0.270569 Sn\n0.733567 0.373871 0.770569 Sn\n0.266433 0.873871 0.729431 Sn\n0.628967 0.610094 0.068369 P\n0.371033 0.110094 0.431632 P\n0.371033 0.389905 0.931632 P\n0.628967 0.889905 0.568369 P\n0.592683 0.305684 0.439365 S\n0.407317 0.805684 0.060635 S\n0.789296 0.806723 0.466418 S\n0.210704 0.306723 0.033582 S\n0.210704 0.193276 0.533582 S\n0.127921 0.001863 0.235868 S\n0.872079 -0.001863 0.764132 S\n0.127921 0.498136 0.735868 S\n0.592683 0.194316 0.939365 S\n0.872079 0.501863 0.264132 S\n0.789296 0.693276 0.966418 S\n0.407317 0.694315 0.560635 S\n",
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},
{
"id": "jvasp-29284",
"created_at": "2022-09-04T14:38:00.038551Z",
"updated_at": "2022-09-04T14:38:00.038577Z",
"structure_string": "Sn1 P2 S6\n1.0\n7.375764 -0.021281 -0.013935\n4.898355 5.514385 -0.013935\n4.898355 2.192189 5.059936\nSn P S\n1 2 6\ndirect\n0.666253 0.666254 0.666256 Sn\n0.275894 0.275895 0.275896 P\n0.391504 0.391505 0.391506 P\n0.249762 0.570309 0.922451 S\n0.922449 0.249762 0.570311 S\n0.570309 0.922450 0.249763 S\n0.740773 0.425501 0.091585 S\n0.091584 0.740774 0.425502 S\n0.425500 0.091584 0.740775 S\n",
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"volume": 206.78277116855526,
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"formula_full": "Sn1 P2 S6",
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"formula_anonymous": "AB2C6",
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},
{
"id": "jvasp-49176",
"created_at": "2022-09-04T14:37:09.720358Z",
"updated_at": "2022-09-04T14:37:09.720368Z",
"structure_string": "Sn4 P4 S12\n1.0\n0.000000 6.625905 -0.061615\n7.508434 0.000000 0.000000\n0.000000 -6.472264 -9.366669\nSn P S\n4 4 12\ndirect\n0.753386 0.132137 0.466089 Sn\n0.753387 0.867863 0.966089 Sn\n0.200429 0.379274 0.971368 Sn\n0.200429 0.620725 0.471368 Sn\n0.870082 0.643459 0.683205 P\n0.870082 0.356541 0.183205 P\n0.129583 0.863448 0.816708 P\n0.129583 0.136551 0.316708 P\n0.900958 0.054463 0.808414 S\n0.900958 0.945537 0.308414 S\n0.293975 0.948660 0.719989 S\n0.293974 0.051340 0.219988 S\n0.365432 0.750884 0.010659 S\n0.717788 0.561173 0.789247 S\n0.092327 0.446192 0.694857 S\n0.092327 0.553808 0.194857 S\n0.630943 0.255771 0.986167 S\n0.717788 0.438826 0.289247 S\n0.365432 0.249115 0.510659 S\n0.630942 0.744228 0.486167 S\n",
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}
]
}