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{
"id": "jvasp-99529",
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"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n4.405356 -0.004299 -7.377230\n-0.338915 4.392302 -7.377230\n0.003984 0.004299 8.592477\nSr Cu S Cl\n2 1 2 2\ndirect\n0.374283 0.374283 -0.000000 Sr\n0.625717 0.625717 -0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 S\n-0.000001 0.500000 0.499999 S\n0.189565 0.189565 -0.000000 Cl\n0.810435 0.810434 -0.000001 Cl\n",
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{
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{
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"updated_at": "2022-09-04T14:37:07.246916Z",
"structure_string": "Sr6 Cu2 Pt2 O12\n1.0\n6.733078 0.033209 -0.124149\n-0.131215 6.781741 -0.264387\n0.032151 0.024720 6.788039\nSr Cu Pt O\n6 2 2 12\ndirect\n0.377631 0.611636 0.758701 Sr\n0.122370 0.241299 0.388364 Sr\n0.622370 0.388364 0.241299 Sr\n0.877631 0.758701 0.611635 Sr\n0.750001 0.899434 0.100566 Sr\n0.250000 0.100566 0.899434 Sr\n0.750000 0.304825 0.695175 Cu\n0.250001 0.695175 0.304824 Cu\n0.000000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.214749 0.896907 0.524721 O\n0.462281 0.283341 0.604206 O\n0.785251 0.103093 0.475279 O\n0.928782 0.216788 0.074361 O\n0.571219 0.925639 0.783212 O\n0.071219 0.783212 0.925639 O\n0.428782 0.074361 0.216788 O\n0.962281 0.604206 0.283341 O\n0.537720 0.716659 0.395794 O\n0.037720 0.395794 0.716659 O\n0.714749 0.524721 0.896907 O\n0.285252 0.475279 0.103092 O\n",
"nsites": 22,
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"formula_full": "Sr6 Cu2 Pt2 O12",
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{
"id": "jvasp-10715",
"created_at": "2022-09-04T14:37:20.027239Z",
"updated_at": "2022-09-04T14:37:20.027262Z",
"structure_string": "Sr2 Cu1 P2 O8\n1.0\n5.115194 0.000000 0.000000\n-2.557597 5.548845 -1.643199\n0.000000 -0.016327 6.607234\nSr Cu P O\n2 1 2 8\ndirect\n0.170384 0.340768 0.217472 Sr\n0.829614 0.659231 0.782527 Sr\n0.499999 -0.000000 0.500000 Cu\n0.856094 0.712190 0.290030 P\n0.143904 0.287809 0.709969 P\n0.376570 0.263293 0.561412 O\n0.113276 0.736706 0.438586 O\n0.623428 0.736706 0.438586 O\n0.886722 0.263293 0.561412 O\n0.726715 0.453431 0.138516 O\n0.050027 0.100054 0.831138 O\n0.949971 0.899944 0.168861 O\n0.273283 0.546567 0.861483 O\n",
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"density_atomic": 0.06937082846483196,
"volume": 187.39865571290449,
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{
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"created_at": "2022-09-04T14:37:31.926938Z",
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"structure_string": "Sr2 Cu1 O2 F2\n1.0\n3.990864 0.000000 0.000000\n0.000000 3.990864 0.000000\n-1.995432 -1.995432 6.422503\nSr Cu O F\n2 1 2 2\ndirect\n0.365615 0.365615 0.731231 Sr\n0.634384 0.634384 0.268769 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.250000 0.749999 0.500000 F\n0.749999 0.250000 0.500000 F\n",
"nsites": 7,
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{
"id": "jvasp-100346",
"created_at": "2022-09-04T14:36:39.128731Z",
"updated_at": "2022-09-04T14:36:39.128757Z",
"structure_string": "Sr2 Cu1 O2 F2\n1.0\n4.181799 -0.001391 -5.564521\n-0.373948 3.644540 -5.918517\n0.028372 0.001391 6.960641\nSr Cu O F\n2 1 2 2\ndirect\n0.651178 0.651178 -0.000000 Sr\n0.351454 0.351454 -0.000000 Sr\n0.999409 0.999409 -0.000000 Cu\n0.764208 0.264208 0.500000 O\n0.003892 0.503893 0.499999 O\n0.235972 0.735972 0.499999 F\n0.493885 0.993886 0.499999 F\n",
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"density": 4.805715834822656,
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"volume": 106.69459828633964,
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"formula_anonymous": "AB2C2D2",
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},
{
"id": "jvasp-88027",
"created_at": "2022-09-04T14:35:56.713722Z",
"updated_at": "2022-09-04T14:35:56.713743Z",
"structure_string": "Sr6 Cu2 Ir2 O12\n1.0\n6.742267 0.043354 -0.133473\n-0.140490 6.759185 -0.251228\n0.041571 0.046502 6.765024\nSr Cu Ir O\n6 2 2 12\ndirect\n0.750000 0.603280 0.396719 Sr\n0.250000 0.396719 0.603280 Sr\n0.618970 0.743139 0.890333 Sr\n0.881031 0.109665 0.256860 Sr\n0.381030 0.256860 0.109666 Sr\n0.118970 0.890333 0.743139 Sr\n0.250000 0.803682 0.196317 Cu\n0.750000 0.196316 0.803682 Cu\n0.000000 0.500000 -0.000000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.073344 0.432617 0.280191 O\n0.426656 0.719807 0.567382 O\n0.717227 0.399860 0.035311 O\n0.782773 0.964688 0.600139 O\n0.282773 0.600138 0.964689 O\n0.539266 0.902319 0.216233 O\n0.039266 0.216232 0.902319 O\n0.460734 0.097680 0.783767 O\n0.960734 0.783766 0.097680 O\n0.573345 0.280191 0.432618 O\n0.217227 0.035310 0.399861 O\n0.926656 0.567381 0.719808 O\n",
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{
"id": "jvasp-26361",
"created_at": "2022-09-04T14:37:44.612598Z",
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"structure_string": "Sr2 Cu1 I2 O2\n1.0\n3.975406 0.000000 -0.791459\n-0.157571 3.972282 -0.791459\n-0.007158 -0.007447 10.343775\nSr Cu I O\n2 1 2 2\ndirect\n0.416184 0.416183 0.832367 Sr\n0.583812 0.583811 0.167623 Sr\n0.000015 0.000015 0.000030 Cu\n0.170967 0.170967 0.341933 I\n0.829023 0.829022 0.658044 I\n0.500001 0.000001 0.000000 O\n0.000001 0.500000 0.000000 O\n",
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"volume": 163.2961733131297,
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"formula_full": "Sr2 Cu1 I2 O2",
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},
{
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"created_at": "2022-09-04T14:37:07.710970Z",
"updated_at": "2022-09-04T14:37:07.710979Z",
"structure_string": "Sr2 Cu2 H12 O10\n1.0\n0.000000 5.381226 0.028770\n6.236875 0.000000 0.000000\n0.000000 -2.439372 -7.563556\nSr Cu H O\n2 2 12 10\ndirect\n0.000001 0.453929 0.750000 Sr\n0.000000 0.546072 0.250000 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.628584 0.046098 0.607394 H\n0.628583 0.953903 0.107394 H\n0.651942 0.268956 0.964087 H\n0.348059 0.731044 0.035913 H\n0.432563 0.288293 0.143754 H\n0.371418 0.953903 0.392607 H\n0.567439 0.288293 0.356246 H\n0.651942 0.731044 0.464087 H\n0.432563 0.711708 0.643755 H\n0.567439 0.711708 0.856246 H\n0.371418 0.046098 0.892607 H\n0.348060 0.268956 0.535914 H\n0.157268 0.280349 0.505551 O\n0.714393 0.844697 0.056704 O\n0.500001 0.383052 0.250000 O\n0.842733 0.280349 0.994450 O\n0.842733 0.719652 0.494450 O\n0.157268 0.719652 0.005550 O\n0.285608 0.844697 0.443296 O\n0.500001 0.616949 0.750000 O\n0.285608 0.155304 0.943297 O\n0.714393 0.155304 0.556704 O\n",
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{
"id": "jvasp-11426",
"created_at": "2022-09-04T14:37:10.807154Z",
"updated_at": "2022-09-04T14:37:10.807177Z",
"structure_string": "Sr2 Cu4 Ge2 Se8\n1.0\n6.307791 0.025871 -0.000000\n-2.869176 5.617538 0.000000\n0.000000 -0.000000 10.890757\nSr Cu Ge Se\n2 4 2 8\ndirect\n0.989044 0.989045 0.500000 Sr\n0.989044 0.989045 0.000000 Sr\n0.370795 0.804843 0.370077 Cu\n0.804842 0.370796 0.629923 Cu\n0.804842 0.370796 0.870077 Cu\n0.370795 0.804843 0.129923 Cu\n0.734726 0.438240 0.250000 Ge\n0.438240 0.734727 0.750000 Ge\n0.704464 0.807312 0.250000 Se\n0.807312 0.704464 0.750000 Se\n0.989684 0.477005 0.424395 Se\n0.477005 0.989685 0.575605 Se\n0.989684 0.477005 0.075605 Se\n0.477005 0.989685 0.924395 Se\n0.128283 0.330823 0.750000 Se\n0.330823 0.128283 0.250000 Se\n",
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"density": 5.180175411320256,
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},
{
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"created_at": "2022-09-04T14:38:12.321566Z",
"updated_at": "2022-09-04T14:38:12.321585Z",
"structure_string": "Sr3 Cu6 Ge3 S12\n1.0\n3.087702 -5.348056 -0.000000\n3.087702 5.348056 0.000000\n-0.000000 0.000000 15.317464\nSr Cu Ge S\n3 6 3 12\ndirect\n0.778903 0.666658 0.917134 Sr\n0.333342 0.112245 0.583802 Sr\n0.887755 0.221096 0.250468 Sr\n0.674624 0.592184 0.162008 Cu\n0.258923 0.007986 0.338908 Cu\n0.749063 0.741076 0.672242 Cu\n0.407816 0.082440 0.828675 Cu\n0.917559 0.325375 0.495341 Cu\n0.992014 0.250936 0.005575 Cu\n0.333319 0.954037 0.083795 Ge\n0.620717 0.666680 0.417128 Ge\n0.045963 0.379282 0.750461 Ge\n0.828616 0.633069 0.532461 S\n0.097237 0.768164 0.748133 S\n0.231836 0.329073 0.414800 S\n0.670926 0.902762 0.081467 S\n0.434837 0.430572 0.752801 S\n0.569427 0.004264 0.419467 S\n0.995735 0.565162 0.086134 S\n0.299699 0.161921 0.968459 S\n0.838079 0.137778 0.635126 S\n0.366930 0.195546 0.199127 S\n0.804453 0.171383 0.865794 S\n0.862221 0.700300 0.301793 S\n",
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],
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"density": 4.092703109562189,
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},
{
"id": "jvasp-107148",
"created_at": "2022-09-04T14:36:57.765736Z",
"updated_at": "2022-09-04T14:36:57.765765Z",
"structure_string": "Sr1 Cu2 Ge1 S4\n1.0\n5.391097 -0.051879 -2.765492\n-2.034150 4.992880 -2.765492\n0.035247 0.051879 6.058930\nSr Cu Ge S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Cu\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.000000 Ge\n0.539458 0.135910 0.000000 S\n0.135910 0.539457 0.000000 S\n0.864090 0.864090 0.403548 S\n0.460543 0.460543 0.596453 S\n",
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"formula_full": "Sr1 Cu2 Ge1 S4",
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}
]
}