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{
"id": "jvasp-50657",
"created_at": "2022-09-04T14:37:03.392856Z",
"updated_at": "2022-09-04T14:37:03.392876Z",
"structure_string": "Li2 Si2 Bi6 O14\n1.0\n4.250271 -7.361684 -0.000000\n4.250270 7.361684 -0.000000\n0.000000 0.000000 5.215674\nLi Si Bi O\n2 2 6 14\ndirect\n0.000000 0.000000 0.015102 Li\n0.000000 0.000000 0.515102 Li\n0.333333 0.666667 0.172780 Si\n0.666667 0.333333 0.672779 Si\n0.261637 0.357552 0.704139 Bi\n0.642448 0.904084 0.704139 Bi\n0.095916 0.738363 0.704139 Bi\n0.904084 0.261637 0.204139 Bi\n0.357552 0.095915 0.204139 Bi\n0.738363 0.642447 0.204139 Bi\n0.872009 0.468529 0.550809 O\n0.666667 0.333333 0.988014 O\n0.227032 0.082559 0.825685 O\n0.596519 0.127991 0.550809 O\n0.082560 0.855527 0.325686 O\n0.917440 0.144473 0.825685 O\n0.468529 0.596519 0.050809 O\n0.772967 0.917440 0.325686 O\n0.333333 0.666667 0.488014 O\n0.127991 0.531471 0.050809 O\n0.531471 0.403481 0.550809 O\n0.144473 0.227032 0.325686 O\n0.403481 0.872009 0.050809 O\n0.855527 0.772967 0.825685 O\n",
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{
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"created_at": "2022-09-04T14:37:11.698467Z",
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"structure_string": "Ba2 Pr4 Pd2 O10\n1.0\n6.841182 0.000000 -0.000000\n-0.000000 6.841182 -0.000000\n0.000000 0.000000 5.966715\nBa Pr Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.672693 0.172693 0.500000 Pr\n0.172693 0.327307 0.500000 Pr\n0.827307 0.672693 0.500000 Pr\n0.327307 0.827307 0.500000 Pr\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.640656 0.859344 0.751186 O\n0.140656 0.640656 0.751186 O\n0.640656 0.859344 0.248813 O\n0.359344 0.140656 0.248813 O\n0.500000 0.500000 0.500000 O\n0.140656 0.640656 0.248813 O\n0.000000 0.000000 0.500000 O\n0.859344 0.359344 0.751186 O\n0.859344 0.359344 0.248813 O\n0.359344 0.140656 0.751186 O\n",
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"formula_full": "Ba2 Pr4 Pd2 O10",
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{
"id": "jvasp-50965",
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"updated_at": "2022-09-04T14:37:14.597418Z",
"structure_string": "Li2 Zr1 Cu1 O4\n1.0\n-2.101774 2.101774 4.447245\n2.101774 -2.101774 4.447245\n2.101774 2.101774 -4.447245\nLi Zr Cu O\n2 1 1 4\ndirect\n0.499999 0.499999 0.000000 Li\n0.250000 0.749999 0.499999 Li\n0.749999 0.250000 0.499999 Zr\n0.000000 0.000000 0.000000 Cu\n0.988902 0.488903 0.499999 O\n0.254446 0.254446 0.000000 O\n0.511096 0.011097 0.499999 O\n0.745553 0.745553 0.000000 O\n",
"nsites": 8,
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"formula_full": "Li2 Zr1 Cu1 O4",
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},
{
"id": "jvasp-43617",
"created_at": "2022-09-04T14:37:14.478275Z",
"updated_at": "2022-09-04T14:37:14.478303Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n5.844980 0.000145 -0.000279\n-2.922365 5.061685 0.000559\n0.000397 -0.000687 9.850272\nLi V Sn O\n4 6 2 16\ndirect\n0.333329 0.666669 0.894831 Li\n-0.000091 0.999958 0.991951 Li\n0.000093 0.000050 0.491951 Li\n0.666672 0.333341 0.394831 Li\n0.175636 0.351384 0.214027 V\n0.824365 0.175748 0.714026 V\n0.824352 0.648631 0.714022 V\n0.648527 0.824276 0.214016 V\n0.175650 0.824281 0.214022 V\n0.351474 0.175749 0.714016 V\n0.333385 0.666707 0.494134 Sn\n0.666616 0.333320 0.994134 Sn\n0.319023 0.159519 0.103364 O\n0.840395 0.680882 0.103378 O\n0.666742 0.333380 0.596198 O\n0.515630 0.031176 0.839820 O\n0.515630 0.484478 0.839822 O\n0.680978 0.840497 0.603364 O\n0.484371 0.515546 0.339821 O\n0.031143 0.515590 0.339847 O\n0.159616 0.319138 0.603374 O\n0.000071 0.000049 0.805135 O\n-0.000071 -0.000023 0.305135 O\n0.333259 0.666640 0.096198 O\n0.968858 0.484447 0.839847 O\n0.159607 0.840489 0.603378 O\n0.484372 0.968850 0.339822 O\n0.840385 0.159522 0.103374 O\n",
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{
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"created_at": "2022-09-04T14:37:14.191467Z",
"updated_at": "2022-09-04T14:37:14.191492Z",
"structure_string": "Li3 Cu3 P2 O8\n1.0\n5.053468 0.122237 -0.030804\n0.119727 5.497307 -0.026169\n-0.048703 -0.067037 6.071595\nLi Cu P O\n3 3 2 8\ndirect\n0.489797 0.156744 0.000774 Li\n0.985449 0.332203 0.750768 Li\n0.004813 0.850230 0.502469 Li\n0.523663 0.632457 0.758065 Cu\n0.523744 0.624142 0.240906 Cu\n0.952921 0.359593 0.249290 Cu\n0.008548 0.845719 0.994691 P\n0.486686 0.162100 0.504111 P\n0.882293 0.108194 0.984245 O\n0.314657 0.851977 0.000013 O\n0.920034 0.693540 0.789121 O\n0.374050 0.299988 0.712955 O\n0.794879 0.161457 0.508387 O\n0.386537 0.900457 0.501328 O\n0.378081 0.295466 0.291987 O\n0.916448 0.725738 0.210902 O\n",
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],
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"density_atomic": 0.09491821818846828,
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"formula_full": "Li3 Cu3 P2 O8",
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{
"id": "jvasp-101944",
"created_at": "2022-09-04T14:37:07.663573Z",
"updated_at": "2022-09-04T14:37:07.663589Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.800346 0.081217 -0.415425\n1.498155 4.377823 0.698109\n-1.090894 -0.080652 9.726341\nHf H C O\n1 8 6 4\ndirect\n0.297451 0.827442 0.312512 Hf\n0.827036 0.373093 0.923253 H\n0.486271 0.198419 0.903715 H\n0.284416 0.900736 0.860912 H\n0.951187 0.717088 0.834786 H\n0.519684 0.220729 0.671856 H\n0.011868 0.350346 0.627149 H\n0.001955 0.900185 0.602665 H\n0.504028 0.756913 0.655804 H\n0.531550 0.409638 0.929697 C\n0.240008 0.695886 0.825866 C\n0.251505 0.705585 0.669954 C\n0.253492 0.439429 0.455688 C\n0.257479 0.414757 0.612395 C\n0.537985 0.403733 0.084725 C\n0.326409 0.640953 0.120404 O\n0.316739 0.153822 0.417098 O\n0.890912 0.657422 0.363718 O\n0.746430 0.156942 0.173398 O\n",
"nsites": 19,
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"formula_full": "Hf1 H8 C6 O4",
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},
{
"id": "jvasp-34477",
"created_at": "2022-09-04T14:37:19.286789Z",
"updated_at": "2022-09-04T14:37:19.286815Z",
"structure_string": "K2 Th1 Cu2 S4\n1.0\n4.019043 0.000000 0.000000\n-2.009522 6.829810 -2.478878\n0.000000 -0.000868 7.568253\nK Th Cu S\n2 1 2 4\ndirect\n0.137684 0.275367 0.564045 K\n0.862315 0.724632 0.435954 K\n0.000000 0.000000 0.000000 Th\n0.680881 0.361762 0.989377 Cu\n0.319119 0.638237 0.010622 Cu\n0.521804 0.043608 0.758469 S\n0.478196 0.956391 0.241530 S\n0.203018 0.406035 0.179348 S\n0.796982 0.593965 0.820651 S\n",
"nsites": 9,
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],
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"density_atomic": 0.04332451118377006,
"volume": 207.73459997793398,
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"formula_full": "K2 Th1 Cu2 S4",
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},
{
"id": "jvasp-12643",
"created_at": "2022-09-04T14:37:14.046849Z",
"updated_at": "2022-09-04T14:37:14.046869Z",
"structure_string": "Ba2 U1 Mn1 O6\n1.0\n5.179647 0.000000 2.990470\n1.726549 4.883418 2.990470\n-0.000000 0.000000 5.980941\nBa U Mn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Mn\n0.250516 0.749484 0.749483 O\n0.250516 0.749484 0.250516 O\n0.749484 0.250516 0.749483 O\n0.250516 0.250516 0.749483 O\n0.749484 0.250516 0.250516 O\n0.749484 0.749484 0.250516 O\n",
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},
{
"id": "jvasp-11461",
"created_at": "2022-09-04T14:37:28.951981Z",
"updated_at": "2022-09-04T14:37:28.952001Z",
"structure_string": "Rb4 Cu4 Sn2 S8\n1.0\n5.253833 0.000000 1.628506\n2.168148 8.831089 2.294316\n-0.027559 -0.067331 9.378038\nRb Cu Sn S\n4 4 2 8\ndirect\n0.228506 0.376104 0.623896 Rb\n0.728505 0.123896 0.876105 Rb\n0.271494 0.876104 0.123896 Rb\n0.771494 0.623896 0.376105 Rb\n0.250000 0.031457 0.468543 Cu\n0.750000 0.531457 0.968544 Cu\n0.750000 0.968543 0.531458 Cu\n0.250000 0.468543 0.031457 Cu\n0.750000 0.250000 0.250001 Sn\n0.250000 0.750000 0.750001 Sn\n0.415061 0.485655 0.223583 S\n0.624298 0.014345 0.276418 S\n0.875701 0.223582 0.485656 S\n0.084939 0.276418 0.014345 S\n0.375701 0.985655 0.723583 S\n0.584939 0.514345 0.776418 S\n0.124299 0.776418 0.514345 S\n0.915061 0.723583 0.985656 S\n",
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{
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"created_at": "2022-09-04T14:37:07.555490Z",
"updated_at": "2022-09-04T14:37:07.555513Z",
"structure_string": "Na2 Y1 Cu1 Cl6\n1.0\n6.234688 0.000000 3.599598\n2.078229 5.878120 3.599598\n0.000000 0.000000 7.199198\nNa Y Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cu\n0.744290 0.255710 0.255711 Cl\n0.255711 0.255710 0.744290 Cl\n0.255711 0.744290 0.744290 Cl\n0.255711 0.744290 0.255711 Cl\n0.744290 0.255710 0.744290 Cl\n0.744290 0.744290 0.255711 Cl\n",
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{
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"created_at": "2022-09-04T14:37:10.010099Z",
"updated_at": "2022-09-04T14:37:10.010126Z",
"structure_string": "Li4 Ti4 Fe4 O16\n1.0\n5.927633 -0.000000 0.000000\n-0.000000 5.927633 -0.000000\n-0.000000 0.000000 8.297680\nLi Ti Fe O\n4 4 4 16\ndirect\n0.000000 0.228198 0.000000 Li\n0.000000 0.771802 0.500000 Li\n0.228198 0.000000 0.250000 Li\n0.771802 0.000000 0.750000 Li\n0.222748 0.500000 0.250000 Ti\n0.500000 0.222748 0.000000 Ti\n0.500000 0.777251 0.500000 Ti\n0.777251 0.500000 0.750000 Ti\n0.743732 0.743732 0.125000 Fe\n0.743732 0.256267 0.375000 Fe\n0.256267 0.743732 0.875000 Fe\n0.256267 0.256267 0.625000 Fe\n0.736604 0.987610 0.495050 O\n0.736604 0.012390 0.004950 O\n0.736510 0.487233 0.986254 O\n0.736510 0.512766 0.513746 O\n0.512766 0.736510 0.736254 O\n0.512766 0.263489 0.763745 O\n0.487233 0.736510 0.263746 O\n0.012390 0.736604 0.245050 O\n0.263489 0.512766 0.486254 O\n0.263489 0.487233 0.013746 O\n0.263395 0.987610 0.504950 O\n0.263395 0.012390 0.995050 O\n0.987610 0.263395 0.745050 O\n0.012390 0.263395 0.254950 O\n0.487233 0.263489 0.236254 O\n0.987610 0.736604 0.754950 O\n",
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{
"id": "jvasp-21351",
"created_at": "2022-09-04T14:37:09.946127Z",
"updated_at": "2022-09-04T14:37:09.946149Z",
"structure_string": "Mn2 Zn2 Si4 O12\n1.0\n5.239972 0.149838 1.241348\n1.512562 6.649679 0.467137\n0.200862 -0.191731 6.829875\nMn Zn Si O\n2 2 4 12\ndirect\n0.250000 0.106587 0.893408 Mn\n0.749999 0.893410 0.106586 Mn\n0.749995 0.235550 0.764449 Zn\n0.249996 0.764449 0.235551 Zn\n0.223683 0.221428 0.387519 Si\n0.276317 0.612481 0.778575 Si\n0.723683 0.387519 0.221428 Si\n0.776318 0.778575 0.612481 Si\n0.657360 0.959895 0.787653 O\n0.842639 0.212350 0.040102 O\n0.618750 0.617215 0.146303 O\n0.881242 0.853706 0.382788 O\n0.381242 0.382787 0.853704 O\n0.033403 0.617588 0.670567 O\n0.966602 0.382418 0.329428 O\n0.533404 0.670567 0.617589 O\n0.342638 0.040102 0.212350 O\n0.466603 0.329428 0.382417 O\n0.118751 0.146302 0.617214 O\n0.157361 0.787654 0.959894 O\n",
"nsites": 20,
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],
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"formula_full": "Mn2 Zn2 Si4 O12",
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}
]
}