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{
"id": "jvasp-117226",
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"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.322355 -0.030380 -1.289524\n-1.923083 5.051172 -1.375390\n0.089112 -0.010583 7.163459\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.164410 0.833225 0.779851 Ca\n0.835589 0.166775 0.220150 Ca\n0.500000 0.500000 0.000000 Ti\n0.179486 0.816210 0.249815 Si\n0.820513 0.183791 0.750186 Si\n0.500000 0.500000 0.500000 Sn\n0.226826 0.111988 0.401761 O\n0.111188 0.259489 0.925907 O\n0.773173 0.888013 0.598240 O\n0.888812 0.740511 0.074094 O\n0.580843 0.422020 0.239012 O\n0.419156 0.577980 0.760989 O\n0.594399 0.181682 0.870436 O\n0.174986 0.611359 0.380314 O\n0.405600 0.818318 0.129565 O\n0.825013 0.388641 0.619687 O\n",
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"structure_string": "Na4 Ni4 O8\n1.0\n3.038800 -0.013279 -0.000080\n0.363519 5.049503 0.000122\n0.000223 -0.000260 10.435964\nNa Ni O\n4 4 8\ndirect\n0.480083 0.160057 0.249999 Na\n0.980081 0.660056 0.250000 Na\n0.019918 0.339943 0.749999 Na\n0.519918 0.839941 0.750000 Na\n0.500005 0.499996 0.499999 Ni\n-0.000003 0.000004 0.000000 Ni\n-0.000005 0.000004 0.500000 Ni\n0.500004 0.499996 0.000000 Ni\n0.967569 0.322540 0.402645 O\n0.467573 0.822544 0.402643 O\n0.532430 0.177456 0.597355 O\n0.032425 0.677458 0.597357 O\n0.532429 0.177458 0.902643 O\n0.032429 0.677455 0.902641 O\n0.967568 0.322542 0.097356 O\n0.467572 0.822543 0.097358 O\n",
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{
"id": "jvasp-120485",
"created_at": "2022-09-04T14:38:50.959599Z",
"updated_at": "2022-09-04T14:38:50.959623Z",
"structure_string": "Ca2 Mg2 P2 O8 F2\n1.0\n5.328606 -0.026101 1.242889\n-1.883318 4.984760 1.242889\n0.011472 0.016511 6.929326\nCa Mg P O F\n2 2 2 8 2\ndirect\n0.662468 0.337532 0.750001 Ca\n0.337532 0.662468 0.250000 Ca\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.320739 0.679260 0.750001 P\n0.679261 0.320740 0.250000 P\n0.598442 0.742683 0.588233 O\n0.401558 0.257317 0.411768 O\n0.257317 0.401558 0.911768 O\n0.742683 0.598442 0.088232 O\n0.328827 0.890163 0.868828 O\n0.671173 0.109837 0.131173 O\n0.109836 0.671173 0.631174 O\n0.890164 0.328827 0.368827 O\n0.915552 0.084449 0.750000 F\n0.084448 0.915551 0.250000 F\n",
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{
"id": "jvasp-117235",
"created_at": "2022-09-04T14:38:49.523465Z",
"updated_at": "2022-09-04T14:38:49.523488Z",
"structure_string": "Ni4 Ge4 N8\n1.0\n5.382604 -0.000000 0.000000\n0.000000 6.436040 0.000000\n0.000000 -0.000000 5.164328\nNi Ge N\n4 4 8\ndirect\n0.576096 0.876945 0.997025 Ni\n0.423903 0.123055 0.497024 Ni\n0.923903 0.376945 0.497024 Ni\n0.076096 0.623055 0.997025 Ni\n0.578220 0.375663 0.998443 Ge\n0.421779 0.624337 0.498443 Ge\n0.921778 0.875663 0.498443 Ge\n0.078221 0.124337 0.998443 Ge\n0.573098 0.385416 0.363589 N\n0.426901 0.614584 0.863590 N\n0.926901 0.885416 0.863590 N\n0.073099 0.114584 0.363589 N\n0.591991 0.862820 0.381945 N\n0.408008 0.137180 0.881946 N\n0.908007 0.362820 0.881946 N\n0.091992 0.637180 0.381945 N\n",
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{
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"created_at": "2022-09-04T14:38:49.359189Z",
"updated_at": "2022-09-04T14:38:49.359214Z",
"structure_string": "Y6 In10\n1.0\n6.382741 -0.012995 0.000000\n-1.278774 6.253342 0.000000\n0.000000 -0.000000 10.343772\nY In\n6 10\ndirect\n0.619178 0.619177 0.250000 Y\n0.380822 0.380822 0.750000 Y\n0.204726 0.795274 0.500000 Y\n0.204726 0.795274 -0.000000 Y\n0.795275 0.204725 0.500000 Y\n0.795275 0.204725 -0.000000 Y\n0.004563 0.004563 0.250000 In\n0.995438 0.995436 0.750000 In\n0.306368 0.306368 0.044037 In\n0.693632 0.693631 0.955963 In\n0.306368 0.306368 0.455963 In\n0.693632 0.693631 0.544037 In\n0.506653 0.071053 0.250000 In\n0.928947 0.493346 0.750000 In\n0.493347 0.928946 0.750000 In\n0.071053 0.506653 0.250000 In\n",
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{
"id": "jvasp-119586",
"created_at": "2022-09-04T14:38:49.335248Z",
"updated_at": "2022-09-04T14:38:49.335273Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n2.832761 -0.000000 0.000000\n0.000000 5.797553 0.058417\n-0.000000 0.010057 8.081365\nLi Mn Co O\n5 2 1 8\ndirect\n0.000000 -0.010200 0.494289 Li\n0.500000 0.268605 0.275360 Li\n-0.000000 0.499640 0.005002 Li\n0.500000 0.739577 0.721744 Li\n-0.000000 0.510953 0.495582 Li\n0.000000 -0.002806 0.004610 Mn\n0.500000 0.254344 0.738801 Mn\n0.500000 0.745719 0.254934 Co\n-0.000000 0.528154 0.247698 O\n0.500000 0.770964 0.005418 O\n-0.000000 0.017020 0.763408 O\n0.500000 0.245772 0.520750 O\n-0.000000 0.472408 0.755398 O\n0.500000 0.751012 0.483075 O\n-0.000000 0.983510 0.238152 O\n0.500000 0.225327 0.995777 O\n",
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],
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{
"id": "jvasp-119322",
"created_at": "2022-09-04T14:38:50.788261Z",
"updated_at": "2022-09-04T14:38:50.788297Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n5.883186 0.173034 1.906492\n0.068207 5.885335 1.906492\n0.069843 0.071099 6.439344\nLi Mn P H O\n1 1 3 1 10\ndirect\n0.104693 -0.104694 0.500000 Li\n0.321287 0.678712 -0.000000 Mn\n0.798207 0.559586 0.087641 P\n0.417676 0.582324 0.499999 P\n0.440413 0.201793 0.912357 P\n0.770735 0.229265 -0.000000 H\n0.644694 0.672398 0.933819 O\n0.299924 0.990024 0.000676 O\n0.380667 0.757772 0.627296 O\n0.674006 0.596893 0.338636 O\n0.696898 0.165035 0.876490 O\n0.834965 0.303101 0.123509 O\n0.403106 0.325994 0.661363 O\n0.242228 0.619333 0.372703 O\n0.009975 0.700076 -0.000677 O\n0.327601 0.355305 0.066180 O\n",
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],
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"volume": 221.33435957186245,
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"formula_full": "Li1 Mn1 P3 H1 O10",
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{
"id": "jvasp-116532",
"created_at": "2022-09-04T14:38:50.793771Z",
"updated_at": "2022-09-04T14:38:50.793799Z",
"structure_string": "Pr4 Zn12\n1.0\n4.606100 0.000000 0.000000\n0.000000 6.644152 0.000000\n0.000000 0.000000 10.411293\nPr Zn\n4 12\ndirect\n0.250000 0.260043 0.648622 Pr\n0.250000 0.760042 0.851377 Pr\n0.750000 0.739957 0.351377 Pr\n0.750000 0.239957 0.148623 Pr\n0.250000 0.549171 0.125286 Zn\n0.250000 0.049171 0.374713 Zn\n0.750000 0.450829 0.874713 Zn\n0.750000 0.950829 0.625286 Zn\n0.250000 0.930395 0.138576 Zn\n0.250000 0.430395 0.361424 Zn\n0.750000 0.069604 0.861424 Zn\n0.750000 0.569604 0.638576 Zn\n0.250000 0.242032 0.950237 Zn\n0.250000 0.742032 0.549763 Zn\n0.750000 0.757968 0.049763 Zn\n0.750000 0.257968 0.450237 Zn\n",
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{
"id": "jvasp-117120",
"created_at": "2022-09-04T14:38:50.684107Z",
"updated_at": "2022-09-04T14:38:50.684135Z",
"structure_string": "Sm12 Ni4\n1.0\n6.368646 -0.000000 0.000000\n0.000000 6.918319 0.000000\n-0.000000 0.000000 9.763288\nSm Ni\n12 4\ndirect\n0.325887 0.178564 0.565543 Sm\n0.174114 0.678564 0.934457 Sm\n0.674114 0.821436 0.065543 Sm\n0.825887 0.321436 0.434457 Sm\n0.674114 0.821436 0.434457 Sm\n0.825887 0.321436 0.065543 Sm\n0.325887 0.178564 0.934457 Sm\n0.174114 0.678564 0.565543 Sm\n0.855783 0.032021 0.750000 Sm\n0.644218 0.532021 0.750000 Sm\n0.144217 0.967979 0.250000 Sm\n0.355783 0.467979 0.250000 Sm\n0.066041 0.387328 0.750000 Ni\n0.433959 0.887328 0.750000 Ni\n0.933959 0.612672 0.250000 Ni\n0.566042 0.112672 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:38:49.641336Z",
"updated_at": "2022-09-04T14:38:49.641362Z",
"structure_string": "Tl4 Cl12\n1.0\n5.739173 -0.000000 0.000000\n0.000000 7.019576 0.000000\n-0.000000 -0.000000 10.693298\nTl Cl\n4 12\ndirect\n-0.135415 0.750000 0.188262 Tl\n0.635415 0.750000 0.688262 Tl\n0.135415 0.250000 0.811739 Tl\n0.364585 0.250000 0.311738 Tl\n0.004048 0.750000 -0.026782 Cl\n0.495952 0.750000 0.473218 Cl\n-0.004048 0.250000 0.026782 Cl\n0.504048 0.250000 0.526782 Cl\n-0.012409 0.010311 0.344057 Cl\n0.512409 0.489689 0.844057 Cl\n0.012409 0.510311 0.655943 Cl\n0.487590 -0.010311 0.155943 Cl\n0.012409 -0.010311 0.655943 Cl\n0.487590 0.510311 0.155943 Cl\n-0.012409 0.489689 0.344057 Cl\n0.512409 0.010311 0.844057 Cl\n",
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{
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"created_at": "2022-09-04T14:38:50.607324Z",
"updated_at": "2022-09-04T14:38:50.607347Z",
"structure_string": "Tb10 Pt6\n1.0\n8.439372 0.000000 -0.000000\n-4.219686 7.308711 -0.000000\n0.000000 0.000000 6.198571\nTb Pt\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.753972 0.753972 0.750000 Tb\n0.246028 0.000000 0.750000 Tb\n-0.000000 0.246028 0.750000 Tb\n0.246028 0.246028 0.250000 Tb\n0.753972 0.000000 0.250000 Tb\n-0.000000 0.753972 0.250000 Tb\n0.393039 0.393039 0.750000 Pt\n0.606960 0.000000 0.750000 Pt\n-0.000000 0.606961 0.750000 Pt\n0.606960 0.606961 0.250000 Pt\n0.393039 0.000000 0.250000 Pt\n-0.000000 0.393039 0.250000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:50.603324Z",
"updated_at": "2022-09-04T14:38:50.603361Z",
"structure_string": "Cu6 P2 Se4 S4\n1.0\n6.302642 0.000000 0.000000\n0.000000 6.574427 0.000000\n0.000000 0.000000 7.417512\nCu P Se S\n6 2 4 4\ndirect\n0.528350 0.826891 0.500000 Cu\n0.028351 0.173109 -0.000000 Cu\n0.487602 0.339711 0.246946 Cu\n0.487602 0.339711 0.753054 Cu\n0.987601 0.660289 0.253054 Cu\n0.987601 0.660289 0.746946 Cu\n0.018751 0.181393 0.500000 P\n0.518751 0.818607 -0.000000 P\n0.655585 0.174936 0.500000 Se\n0.155585 0.825065 -0.000000 Se\n0.141616 0.855309 0.500000 Se\n0.641616 0.144691 -0.000000 Se\n0.128247 0.339733 0.264274 S\n0.128247 0.339733 0.735726 S\n0.628246 0.660267 0.235726 S\n0.628246 0.660267 0.764274 S\n",
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]
}