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{
"id": "jvasp-35132",
"created_at": "2022-09-04T14:37:33.666315Z",
"updated_at": "2022-09-04T14:37:33.666324Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.019980 0.000000 5.318751\n-4.654223 4.342904 1.324817\n-4.654223 -4.342904 1.324817\nCa Al Si O\n2 4 2 12\ndirect\n0.250001 0.311804 0.688196 Ca\n0.750001 0.688398 0.311601 Ca\n0.213809 0.813940 0.615168 Al\n0.286192 0.384832 0.186059 Al\n0.250001 0.911238 0.088761 Al\n0.750001 0.089790 0.910209 Al\n0.782079 0.194644 0.387056 Si\n0.717922 0.612943 0.805355 Si\n0.632302 0.804817 0.968989 O\n0.014439 0.327781 0.381189 O\n0.692888 0.096346 0.626494 O\n0.867699 0.031010 0.195182 O\n0.527004 0.372847 0.341464 O\n0.324502 0.899513 0.356727 O\n0.387202 0.178902 0.012938 O\n0.972997 0.658535 0.627152 O\n0.807113 0.373506 0.903653 O\n0.112799 0.987061 0.821098 O\n0.175499 0.643272 0.100486 O\n0.485562 0.618810 0.672218 O\n",
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{
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"structure_string": "V4 O10\n1.0\n11.734342 0.000000 0.000000\n0.000000 3.563802 0.000000\n0.000000 0.000000 4.292082\nV O\n4 10\ndirect\n0.147837 0.000000 0.889251 V\n0.352163 0.500000 0.110749 V\n0.647836 0.500000 0.110749 V\n0.852163 0.000000 0.889251 V\n0.000000 0.000000 0.992650 O\n0.146074 0.000000 0.514002 O\n0.181800 0.500000 0.995906 O\n0.318200 0.000000 0.004094 O\n0.353925 0.500000 0.485997 O\n0.500000 0.500000 0.007349 O\n0.646074 0.500000 0.485997 O\n0.681800 0.000000 0.004094 O\n0.818199 0.500000 0.995906 O\n0.853925 0.000000 0.514002 O\n",
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{
"id": "jvasp-119323",
"created_at": "2022-09-04T14:38:30.512663Z",
"updated_at": "2022-09-04T14:38:30.512690Z",
"structure_string": "Li4 V4 F14\n1.0\n4.943972 0.017695 0.611090\n0.558041 4.912409 0.611090\n-0.129658 -0.116181 10.083482\nLi V F\n4 4 14\ndirect\n0.261106 0.661407 0.488008 Li\n0.338593 0.738894 0.011992 Li\n0.661406 0.261105 0.988008 Li\n0.738894 0.338593 0.511992 Li\n0.723685 0.751665 0.245627 V\n0.248334 0.276315 0.254373 V\n0.751665 0.723685 0.745627 V\n0.276315 0.248334 0.754373 V\n0.437683 0.494269 0.871088 F\n0.594517 0.054620 0.627840 F\n0.931276 0.068723 0.250000 F\n0.054620 0.594518 0.127840 F\n0.020549 0.472639 0.624339 F\n-0.020550 0.527362 0.375660 F\n0.562317 0.505730 0.128912 F\n0.068724 0.931276 0.750000 F\n0.405482 0.945380 0.372160 F\n0.527361 -0.020550 0.875660 F\n0.472638 0.020549 0.124340 F\n0.494269 0.437683 0.371088 F\n0.945379 0.405482 0.872160 F\n0.505730 0.562317 0.628912 F\n",
"nsites": 22,
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"volume": 245.495277061641,
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{
"id": "jvasp-75680",
"created_at": "2022-09-04T14:36:15.870042Z",
"updated_at": "2022-09-04T14:36:15.870073Z",
"structure_string": "Be2 As1 Cl1\n1.0\n0.000000 3.164174 3.164174\n3.164174 -0.000000 3.164174\n3.164174 3.164174 0.000000\nBe As Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Be\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cl\n",
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"spacegroup": 216
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{
"id": "jvasp-20439",
"created_at": "2022-09-04T14:38:35.095344Z",
"updated_at": "2022-09-04T14:38:35.095368Z",
"structure_string": "Er5 Mg24\n1.0\n9.136328 0.000000 -3.230180\n-4.568164 7.912293 -3.230180\n-0.000000 0.000000 9.690539\nEr Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Er\n0.372527 -0.000000 0.000000 Er\n0.000000 0.372527 -0.000000 Er\n0.000000 0.000000 0.372527 Er\n0.627473 0.627473 0.627473 Er\n0.809275 -0.000000 0.628913 Mg\n0.190726 0.819639 0.190726 Mg\n0.819639 0.190726 0.190726 Mg\n0.000000 0.809274 0.628913 Mg\n0.809275 0.628913 0.000000 Mg\n0.628914 0.809274 0.000000 Mg\n0.371087 0.371087 0.180361 Mg\n0.677478 0.677477 0.288550 Mg\n0.388928 0.711450 0.388927 Mg\n0.190726 0.190726 0.819639 Mg\n0.611073 -0.000000 0.322523 Mg\n0.322523 -0.000000 0.611073 Mg\n0.677477 0.288550 0.677477 Mg\n0.288550 0.677477 0.677477 Mg\n0.000000 0.322523 0.611073 Mg\n0.322523 0.611073 -0.000000 Mg\n0.611073 0.322523 0.000000 Mg\n0.388927 0.388927 0.711450 Mg\n0.628913 -0.000000 0.809274 Mg\n0.000000 0.628913 0.809274 Mg\n0.180361 0.371087 0.371087 Mg\n0.371087 0.180361 0.371087 Mg\n0.000000 0.611073 0.322523 Mg\n0.711450 0.388927 0.388927 Mg\n",
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{
"id": "jvasp-48875",
"created_at": "2022-09-04T14:36:13.007746Z",
"updated_at": "2022-09-04T14:36:13.007775Z",
"structure_string": "Mn2 F6\n1.0\n3.849872 0.000025 0.000179\n-0.000050 5.352771 0.000707\n-0.000289 -0.000758 5.360867\nMn F\n2 6\ndirect\n0.992638 0.999641 0.003307 Mn\n0.992642 0.499663 0.503310 Mn\n0.492640 0.999604 0.003226 F\n0.992646 0.796734 0.300303 F\n0.992633 0.702565 0.800306 F\n0.492635 0.499678 0.503234 F\n0.992626 0.296690 0.206339 F\n0.992636 0.202607 0.706336 F\n",
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},
{
"id": "jvasp-10244",
"created_at": "2022-09-04T14:38:15.997634Z",
"updated_at": "2022-09-04T14:38:15.997659Z",
"structure_string": "K4 Cu2 F8\n1.0\n5.226595 0.000000 -2.423385\n0.000000 5.762189 -0.000000\n0.109831 0.000000 7.084755\nK Cu F\n4 2 8\ndirect\n0.643732 0.000000 0.287464 K\n0.856269 0.500000 0.712536 K\n0.143732 0.500000 0.287464 K\n0.356268 0.000000 0.712536 K\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.757393 0.242527 -0.000000 F\n0.257393 0.257473 -0.000000 F\n0.742608 0.742527 -0.000000 F\n0.242608 0.757473 -0.000000 F\n0.344982 0.500000 0.689963 F\n0.155018 0.000000 0.310037 F\n0.844983 0.000000 0.689963 F\n0.655018 0.500000 0.310037 F\n",
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"formula_full": "K4 Cu2 F8",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-35133",
"created_at": "2022-09-04T14:37:32.892428Z",
"updated_at": "2022-09-04T14:37:32.892451Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.015720 0.000000 5.307478\n-4.667894 4.341420 1.325676\n-4.667894 -4.341420 1.325676\nCa Al Si O\n2 4 2 12\ndirect\n0.240079 0.321256 0.693568 Ca\n0.740079 0.693568 0.321256 Ca\n0.210548 0.809151 0.612460 Al\n0.710549 0.612460 0.809151 Al\n0.261080 0.910861 0.088846 Al\n0.761080 0.088846 0.910861 Al\n0.281760 0.382543 0.188752 Si\n0.781760 0.188752 0.382543 Si\n0.623640 0.827491 0.975534 O\n0.012987 0.333390 0.358366 O\n0.700098 0.110052 0.626549 O\n0.874605 0.020083 0.200589 O\n0.512987 0.358366 0.333390 O\n0.322952 0.914228 0.358217 O\n0.374605 0.200589 0.020083 O\n0.972263 0.661034 0.607021 O\n0.822952 0.358217 0.914228 O\n0.123639 0.975534 0.827491 O\n0.200098 0.626549 0.110052 O\n0.472263 0.607021 0.661034 O\n",
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{
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"created_at": "2022-09-04T14:37:57.050588Z",
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"structure_string": "Ni2 P2 S6\n1.0\n5.535548 0.000425 1.821202\n2.767435 5.045386 0.910514\n-0.091852 0.000137 6.539265\nNi P S\n2 2 6\ndirect\n0.332914 0.334172 -0.000000 Ni\n0.667086 0.665828 -0.000001 Ni\n0.060033 0.000002 0.824480 P\n0.939966 0.999999 0.175518 P\n0.082071 0.345950 0.756885 S\n0.571981 0.345946 0.243115 S\n0.263521 0.999999 0.243187 S\n0.736478 0.000002 0.756812 S\n0.428019 0.654054 0.756884 S\n0.917929 0.654051 0.243113 S\n",
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{
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"created_at": "2022-09-04T14:35:46.172256Z",
"updated_at": "2022-09-04T14:35:46.172280Z",
"structure_string": "Ca2 Be1 In1\n1.0\n5.211609 0.000000 -0.000000\n0.000000 5.211609 0.000000\n0.000000 0.000000 3.707035\nCa Be In\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500001 Be\n0.500000 0.500000 0.500001 In\n",
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},
{
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"created_at": "2022-09-04T14:36:13.550645Z",
"updated_at": "2022-09-04T14:36:13.550666Z",
"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.965129 -0.000000 -0.000001\n-2.482564 3.313126 2.482565\n0.000001 -0.000000 4.965129\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698111 0.763105 0.435553 O\n0.801344 0.236896 0.698110 O\n0.435553 0.236896 0.064995 O\n0.064995 0.763105 0.801344 O\n",
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{
"id": "jvasp-75877",
"created_at": "2022-09-04T14:35:53.275148Z",
"updated_at": "2022-09-04T14:35:53.275170Z",
"structure_string": "Na1 As1 P1\n1.0\n-0.000000 3.168693 3.168693\n3.168693 -0.000000 3.168693\n3.168693 3.168693 -0.000000\nNa As P\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Na\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n",
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"formula_full": "Na1 As1 P1",
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}
]
}