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{
"id": "jvasp-44721",
"created_at": "2022-09-04T14:38:09.969981Z",
"updated_at": "2022-09-04T14:38:09.969991Z",
"structure_string": "Li2 Mn2 Ni2 O8\n1.0\n5.766875 0.000000 0.000000\n2.883437 4.952762 0.039649\n2.883437 1.688303 4.656292\nLi Mn Ni O\n2 2 2 8\ndirect\n0.122077 0.127923 0.127923 Li\n0.877923 0.872076 0.872077 Li\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000001 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.265205 0.263033 0.263033 O\n0.266392 0.256306 0.710910 O\n0.266392 0.710910 0.256306 O\n0.708729 0.263033 0.263033 O\n0.291272 0.736966 0.736967 O\n0.733608 0.743693 0.289090 O\n0.733609 0.289089 0.743693 O\n0.734796 0.736966 0.736967 O\n",
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{
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"structure_string": "Rb4 Co2 I8\n1.0\n0.000000 7.504440 0.054751\n7.955718 0.000000 0.000000\n0.000000 -3.430720 -9.740622\nRb Co I\n4 2 8\ndirect\n0.698807 0.250000 0.036136 Rb\n0.301193 0.750000 0.963864 Rb\n0.195088 0.750000 0.409231 Rb\n0.804912 0.250000 0.590769 Rb\n0.693122 0.750000 0.783868 Co\n0.306878 0.250000 0.216132 Co\n0.139979 0.250000 0.950798 I\n0.860021 0.750000 0.049202 I\n0.085096 0.250000 0.359139 I\n0.914904 0.750000 0.640861 I\n0.529194 -0.004969 0.281827 I\n0.470806 0.495032 0.718173 I\n0.470806 0.004969 0.718173 I\n0.529194 0.504969 0.281827 I\n",
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{
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"updated_at": "2022-09-04T14:38:06.221492Z",
"structure_string": "Fe2 Ni4 S8\n1.0\n5.809495 -0.024967 3.280586\n1.912959 5.485567 3.280586\n-0.000000 -0.000000 6.561171\nFe Ni S\n2 4 8\ndirect\n0.500001 0.500000 0.500000 Fe\n0.500001 0.500000 0.000000 Fe\n0.122450 0.122450 0.127551 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000000 0.500000 Ni\n0.877551 0.877551 0.872450 Ni\n0.260711 0.260711 0.253100 S\n0.260711 0.260711 0.725479 S\n0.261444 0.725250 0.256653 S\n0.725251 0.261444 0.256653 S\n0.274751 0.738556 0.743347 S\n0.738557 0.274750 0.743347 S\n0.739290 0.739289 0.274522 S\n0.739290 0.739289 0.746901 S\n",
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"elements": [
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],
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"density": 4.781486665859467,
"density_atomic": 0.0668553838866389,
"volume": 209.407218777453,
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"formula_full": "Fe2 Ni4 S8",
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{
"id": "jvasp-10052",
"created_at": "2022-09-04T14:38:10.325723Z",
"updated_at": "2022-09-04T14:38:10.325746Z",
"structure_string": "Ca2 Co4 O8\n1.0\n6.049881 -0.018734 -0.027106\n3.008717 5.248717 -0.027106\n2.997399 1.730550 4.894734\nCa Co O\n2 4 8\ndirect\n0.125000 0.625001 0.624999 Ca\n0.625000 0.125001 0.624999 Ca\n0.989345 0.989347 0.010654 Co\n0.260655 0.260656 0.239344 Co\n0.625000 0.625001 0.124999 Co\n0.625000 0.625001 0.624998 Co\n0.401490 0.401491 0.331639 O\n0.416398 0.860136 0.361733 O\n0.401490 0.401491 0.865381 O\n0.860135 0.416399 0.361733 O\n0.389866 0.833604 0.888264 O\n0.833603 0.389867 0.888264 O\n0.848510 0.848512 0.384616 O\n0.848511 0.848512 0.918358 O\n",
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"volume": 156.2744539575469,
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{
"id": "jvasp-9922",
"created_at": "2022-09-04T14:38:09.737692Z",
"updated_at": "2022-09-04T14:38:09.737718Z",
"structure_string": "Zn2 Co4 O8\n1.0\n5.756795 0.000945 -0.001018\n-0.001057 5.756938 -0.000816\n-2.877311 -2.878360 4.071652\nZn Co O\n2 4 8\ndirect\n0.874990 0.125010 0.750001 Zn\n0.125009 0.874990 0.249997 Zn\n0.500000 0.500000 0.499999 Co\n-0.000001 0.500000 0.499999 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000001 Co\n0.706408 0.735470 0.970938 O\n0.264516 0.293582 0.529059 O\n0.264542 0.735474 0.529062 O\n0.735471 0.264538 0.029060 O\n0.735457 0.264526 0.470936 O\n0.735484 0.706418 0.470939 O\n0.264529 0.735463 0.970938 O\n0.293591 0.264530 0.029060 O\n",
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{
"id": "jvasp-44667",
"created_at": "2022-09-04T14:38:06.268892Z",
"updated_at": "2022-09-04T14:38:06.268901Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n-0.020623 4.039537 4.039537\n4.039537 -0.020623 4.039537\n4.039537 4.039537 -0.020623\nLi Mn Fe O\n2 3 1 8\ndirect\n0.123681 0.123681 0.123681 Li\n0.876320 0.876320 0.876320 Li\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.500001 0.500001 Fe\n0.261455 0.261455 0.261455 O\n0.712160 0.261579 0.261579 O\n0.261579 0.712160 0.261579 O\n0.261579 0.261579 0.712160 O\n0.738423 0.738423 0.287842 O\n0.738423 0.287842 0.738423 O\n0.287842 0.738423 0.738423 O\n0.738546 0.738546 0.738546 O\n",
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"formula_full": "Li2 Mn3 Fe1 O8",
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},
{
"id": "jvasp-9294",
"created_at": "2022-09-04T14:38:06.281042Z",
"updated_at": "2022-09-04T14:38:06.281069Z",
"structure_string": "Ba1 Zn1 Bi4 O8\n1.0\n3.120062 -5.404105 -0.000000\n3.120062 5.404105 -0.000000\n-0.000000 -0.000000 7.440155\nBa Zn Bi O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.716167 Bi\n0.666667 0.333333 0.716167 Bi\n0.333333 0.666667 0.283832 Bi\n0.666667 0.333333 0.283832 Bi\n0.274412 0.274412 0.694508 O\n0.725588 -0.000001 0.694508 O\n-0.000001 0.725588 0.694508 O\n0.725588 0.725588 0.305491 O\n-0.000000 0.274412 0.305491 O\n0.274412 -0.000000 0.305491 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:09.452812Z",
"updated_at": "2022-09-04T14:38:09.452839Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n-2.869840 1.603264 4.695604\n-2.869840 4.961480 -0.053629\n-2.869840 -1.603264 -4.695604\nLi V Co O\n2 2 2 8\ndirect\n0.750000 0.122519 0.627481 Li\n0.250000 0.877482 0.372518 Li\n0.500000 0.500000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.526686 0.738674 0.788010 O\n0.973314 0.738674 0.234641 O\n0.976855 0.282607 0.240536 O\n0.523144 0.736320 0.240536 O\n0.476855 0.263680 0.759464 O\n0.023144 0.717393 0.759464 O\n0.026686 0.261326 0.765359 O\n0.473314 0.261326 0.211989 O\n",
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{
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"updated_at": "2022-09-04T14:38:10.357292Z",
"structure_string": "Li4 Fe1 Si2 O7\n1.0\n-0.000000 4.475618 -0.000000\n-4.771257 2.237808 0.065670\n-1.114561 0.000000 6.700507\nLi Fe Si O\n4 1 2 7\ndirect\n0.163738 0.702273 0.434672 Li\n0.720526 0.574584 0.146693 Li\n0.295110 0.425416 0.853307 Li\n0.866011 0.297728 0.565329 Li\n0.000990 -0.000000 0.000000 Fe\n0.566738 0.848396 0.709525 Si\n0.415134 0.151605 0.290475 Si\n0.338156 0.894309 0.227134 O\n0.864025 0.733119 0.889568 O\n0.493829 0.591356 0.653652 O\n0.085185 0.408644 0.346348 O\n0.597144 0.266881 0.110433 O\n0.232465 0.105692 0.772867 O\n0.687952 -0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:06.995713Z",
"updated_at": "2022-09-04T14:38:06.995731Z",
"structure_string": "Li3 Co3 O1 F7\n1.0\n-0.135942 4.270167 4.270167\n4.134225 -0.000000 4.134225\n4.134225 4.134225 -0.000000\nLi Co O F\n3 3 1 7\ndirect\n0.017208 0.994265 0.994265 Li\n0.244563 0.251812 0.251812 Li\n0.106389 0.631205 0.631205 Li\n0.635732 0.603959 0.156350 Co\n0.635732 0.156350 0.603959 Co\n0.635732 0.603959 0.603959 Co\n0.873380 0.375541 0.375541 O\n0.359023 0.389752 0.389752 F\n0.359023 0.861475 0.389752 F\n0.359023 0.389752 0.861475 F\n0.867248 0.389367 0.871694 F\n0.867248 0.871694 0.389367 F\n0.867248 0.871694 0.871694 F\n0.422445 0.859186 0.859186 F\n",
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{
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"created_at": "2022-09-04T14:38:14.919227Z",
"updated_at": "2022-09-04T14:38:14.919255Z",
"structure_string": "Rb2 Li2 Cr2 O8\n1.0\n2.690078 -4.659352 -0.000000\n2.690078 4.659352 -0.000000\n0.000000 0.000000 9.213122\nRb Li Cr O\n2 2 2 8\ndirect\n0.000000 0.000000 0.494469 Rb\n0.000000 0.000000 0.994469 Rb\n0.666667 0.333333 0.680383 Li\n0.333333 0.666667 0.180383 Li\n0.333333 0.666667 0.791531 Cr\n0.666667 0.333333 0.291531 Cr\n0.619683 0.965250 0.734360 O\n0.034751 0.654433 0.734360 O\n0.345567 0.380318 0.734360 O\n0.965250 0.619683 0.234360 O\n0.666667 0.333333 0.471939 O\n0.333333 0.666667 0.971938 O\n0.380318 0.345567 0.234360 O\n0.654433 0.034751 0.234360 O\n",
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],
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"formula_full": "Rb2 Li2 Cr2 O8",
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},
{
"id": "jvasp-57350",
"created_at": "2022-09-04T14:38:14.912086Z",
"updated_at": "2022-09-04T14:38:14.912104Z",
"structure_string": "Na2 Ni2 As2 O8\n1.0\n4.802576 -0.002176 7.991028\n2.214882 4.261342 7.991028\n-0.003585 -0.002176 9.323156\nNa Ni As O\n2 2 2 8\ndirect\n0.713130 0.713127 0.713129 Na\n0.286872 0.286871 0.286872 Na\n0.835578 0.835574 0.835576 Ni\n0.164425 0.164424 0.164424 Ni\n0.433890 0.433888 0.433889 As\n0.566113 0.566110 0.566112 As\n0.463728 0.783729 0.115572 O\n0.536274 0.216269 0.884429 O\n0.115572 0.463727 0.783730 O\n0.783731 0.115570 0.463728 O\n0.370603 0.370602 0.370603 O\n0.216271 0.884428 0.536273 O\n0.629399 0.629396 0.629398 O\n0.884430 0.536271 0.216271 O\n",
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],
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}
]
}