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{
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"results": [
{
"id": "jvasp-27714",
"created_at": "2022-09-04T14:36:59.919641Z",
"updated_at": "2022-09-04T14:36:59.919667Z",
"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160757 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700089\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750001 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
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{
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"structure_string": "H8 W2 N2 Cl12\n1.0\n0.000000 6.229761 0.000000\n-6.013017 3.114881 -0.038922\n-2.383704 -0.000000 11.922336\nH W N Cl\n8 2 2 12\ndirect\n0.013406 0.982593 0.820579 H\n0.884275 0.857370 0.754354 H\n0.004000 0.982593 0.320579 H\n0.258355 0.857370 0.254354 H\n0.741645 0.142629 0.745646 H\n0.996000 0.017407 0.679422 H\n0.115725 0.142630 0.245646 H\n0.986594 0.017407 0.179422 H\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.090593 -0.000000 0.250000 N\n0.909407 -0.000001 0.750000 N\n0.312589 0.164894 0.603288 Cl\n0.477482 0.835105 0.896713 Cl\n0.687411 0.835105 0.396712 Cl\n0.208257 0.700209 0.534361 Cl\n0.802695 0.576268 0.663872 Cl\n0.378965 0.423731 0.836128 Cl\n0.091533 0.700209 0.034360 Cl\n0.908467 0.299791 0.965640 Cl\n0.621035 0.576268 0.163872 Cl\n0.197305 0.423732 0.336128 Cl\n0.791743 0.299792 0.465640 Cl\n0.522518 0.164895 0.103288 Cl\n",
"nsites": 24,
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{
"id": "jvasp-10001",
"created_at": "2022-09-04T14:37:05.399730Z",
"updated_at": "2022-09-04T14:37:05.399759Z",
"structure_string": "Li2 Zr1 Te1 O6\n1.0\n4.599306 0.009802 3.105261\n1.655326 4.291108 3.105260\n0.014254 0.009803 5.549419\nLi Zr Te O\n2 1 1 6\ndirect\n0.273879 0.273878 0.273878 Li\n0.785228 0.785227 0.785227 Li\n0.000650 0.000650 0.000650 Zr\n0.496591 0.496590 0.496590 Te\n0.866998 0.604090 0.241821 O\n0.717841 0.121367 0.393537 O\n0.121368 0.393537 0.717841 O\n0.393538 0.717841 0.121367 O\n0.241822 0.866996 0.604090 O\n0.604090 0.241821 0.866997 O\n",
"nsites": 10,
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],
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"density_atomic": 0.09161298491135361,
"volume": 109.15483225086686,
"volume_molar": 6.573457644489078,
"formula_full": "Li2 Zr1 Te1 O6",
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{
"id": "jvasp-102413",
"created_at": "2022-09-04T14:36:46.090338Z",
"updated_at": "2022-09-04T14:36:46.090357Z",
"structure_string": "K1 Rb2 Ir1 F6\n1.0\n5.499080 -0.000000 3.174895\n1.833027 5.184582 3.174895\n-0.000000 -0.000000 6.349791\nK Rb Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.773776 0.226225 0.226225 F\n0.226225 0.226225 0.773776 F\n0.226225 0.773775 0.773776 F\n0.226225 0.773775 0.226225 F\n0.773776 0.226225 0.773776 F\n0.773776 0.773775 0.226226 F\n",
"nsites": 10,
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"volume": 181.03527934183842,
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"formula_full": "K1 Rb2 Ir1 F6",
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{
"id": "jvasp-107009",
"created_at": "2022-09-04T14:36:52.484692Z",
"updated_at": "2022-09-04T14:36:52.484711Z",
"structure_string": "Sr2 Sm1 U1 O6\n1.0\n5.381931 -0.000000 3.107259\n1.793977 5.074133 3.107259\n-0.000000 -0.000000 6.214519\nSr Sm U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 U\n0.757391 0.242608 0.242609 O\n0.242609 0.757391 0.757392 O\n0.242609 0.757391 0.242609 O\n0.757391 0.242608 0.757392 O\n0.242609 0.242608 0.757392 O\n0.757392 0.757391 0.242609 O\n",
"nsites": 10,
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"density_atomic": 0.05892403894018206,
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"formula_full": "Sr2 Sm1 U1 O6",
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},
{
"id": "jvasp-106737",
"created_at": "2022-09-04T14:36:52.438007Z",
"updated_at": "2022-09-04T14:36:52.438038Z",
"structure_string": "Sr2 Mn1 Ru1 O6\n1.0\n4.702659 -0.127353 -2.898839\n-1.529876 4.448674 -2.898839\n0.093505 0.127353 5.523543\nSr Mn Ru O\n2 1 1 6\ndirect\n0.749999 0.250000 0.499999 Sr\n0.249999 0.749999 0.499998 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ru\n0.794613 0.713989 0.508603 O\n0.205385 0.286010 0.491394 O\n0.286010 0.794613 0.080623 O\n0.713988 0.205386 0.919374 O\n0.751418 0.751419 -0.000001 O\n0.248581 0.248581 -0.000000 O\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Sr2 Mn1 Ru1 O6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-100456",
"created_at": "2022-09-04T14:37:06.673149Z",
"updated_at": "2022-09-04T14:37:06.673185Z",
"structure_string": "Ba1 Y1 Co2 O5\n1.0\n3.865864 -0.000000 -0.000000\n0.000000 3.865864 -0.000000\n-0.000000 0.000000 7.367003\nBa Y Co O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Y\n0.499999 0.499999 0.267327 Co\n0.499999 0.499999 0.732672 Co\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.692306 O\n0.499999 0.000000 0.307694 O\n0.000000 0.499999 0.307694 O\n0.000000 0.499999 0.692306 O\n",
"nsites": 9,
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],
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"density_atomic": 0.08174449581411986,
"volume": 110.09915603938946,
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"formula_full": "Ba1 Y1 Co2 O5",
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"spacegroup": 123
},
{
"id": "jvasp-106424",
"created_at": "2022-09-04T14:36:53.975263Z",
"updated_at": "2022-09-04T14:36:53.975283Z",
"structure_string": "K2 Al1 Ag1 Br6\n1.0\n6.509304 -0.000000 3.758149\n2.169768 6.137031 3.758149\n-0.000000 0.000000 7.516297\nK Al Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.762930 0.237070 0.237070 Br\n0.237070 0.237070 0.762931 Br\n0.237070 0.762930 0.762931 Br\n0.237070 0.762930 0.237070 Br\n0.762930 0.237070 0.762931 Br\n0.762930 0.762930 0.237070 Br\n",
"nsites": 10,
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],
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"formula_full": "K2 Al1 Ag1 Br6",
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},
{
"id": "jvasp-21191",
"created_at": "2022-09-04T14:37:04.106652Z",
"updated_at": "2022-09-04T14:37:04.106668Z",
"structure_string": "Ca4 Ni2 Ir2 O12\n1.0\n0.000000 5.309356 -0.000714\n5.551116 0.000000 0.000000\n0.000000 -5.287080 -7.562026\nCa Ni Ir O\n4 2 2 12\ndirect\n0.231723 0.936248 0.249009 Ca\n0.768277 0.436247 0.250991 Ca\n0.231724 0.563753 0.749009 Ca\n0.768277 0.063753 0.750991 Ca\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.145206 0.799158 0.950023 O\n0.255261 0.300527 0.949863 O\n0.854795 0.299157 0.549977 O\n0.653615 0.029393 0.252602 O\n0.346386 0.970608 0.747398 O\n0.854795 0.200843 0.049977 O\n0.744740 0.699474 0.050137 O\n0.255261 0.199474 0.449863 O\n0.744740 0.800527 0.550137 O\n0.653615 0.470608 0.752603 O\n0.145205 0.700844 0.450022 O\n0.346385 0.529393 0.247397 O\n",
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},
{
"id": "jvasp-101836",
"created_at": "2022-09-04T14:36:59.940379Z",
"updated_at": "2022-09-04T14:36:59.940399Z",
"structure_string": "H16 C30 S4 O2\n1.0\n3.814037 0.031908 -0.059447\n-0.009299 10.319767 4.876155\n-0.254566 -0.012311 13.382197\nH C S O\n16 30 4 2\ndirect\n0.508198 0.714557 0.450652 H\n0.817773 0.624184 0.631416 H\n0.016496 0.837063 0.449949 H\n0.511709 0.336629 0.450744 H\n0.309841 0.745989 0.632034 H\n0.805044 0.245627 0.632829 H\n0.684139 0.907184 0.308111 H\n0.183027 0.407130 0.308254 H\n0.313440 0.123833 0.632108 H\n0.442843 0.123989 0.962933 H\n0.378879 0.045567 0.119802 H\n0.878114 0.545571 0.119873 H\n0.638515 0.673997 0.774506 H\n0.137383 0.173905 0.774651 H\n0.003855 0.214217 0.451344 H\n0.943610 0.624065 0.962863 H\n0.410972 0.333187 0.041365 C\n0.574618 0.400463 0.490126 C\n0.077269 0.900693 0.489694 C\n0.744299 0.349002 0.593080 C\n0.246954 0.849205 0.592648 C\n0.484792 0.533400 0.435184 C\n0.575867 0.611535 0.489617 C\n0.836575 0.427209 0.647621 C\n0.336824 0.927206 0.647582 C\n0.073702 0.111376 0.489963 C\n0.747916 0.559959 0.592801 C\n0.245754 0.059773 0.593147 C\n0.910965 0.833160 0.041366 C\n0.985038 0.033443 0.435145 C\n0.531684 0.219759 0.140041 C\n0.790161 0.818407 0.942697 C\n0.516092 0.869623 0.755607 C\n0.309908 0.215670 0.913418 C\n0.810424 0.715703 0.913358 C\n0.169638 0.512116 0.273464 C\n0.670361 0.012161 0.273370 C\n0.031677 0.719732 0.140041 C\n0.652002 0.744202 0.809289 C\n0.151270 0.244152 0.809384 C\n0.511825 0.087723 0.169323 C\n0.290164 0.318436 0.942695 C\n0.305580 0.583845 0.327151 C\n0.805841 0.083894 0.327113 C\n0.015828 0.369634 0.755645 C\n0.011309 0.587694 0.169383 C\n0.087416 0.452944 0.836590 S\n0.587100 0.952872 0.836632 S\n0.234724 0.748117 0.246114 S\n0.734418 0.248149 0.246154 S\n0.911029 0.943337 0.041364 O\n0.411036 0.443365 0.041363 O\n",
"nsites": 52,
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],
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"formula_full": "H16 C30 S4 O2",
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},
{
"id": "jvasp-106738",
"created_at": "2022-09-04T14:36:53.939836Z",
"updated_at": "2022-09-04T14:36:53.939864Z",
"structure_string": "Sr2 Hf1 Ti1 O6\n1.0\n4.896655 -0.006996 2.846223\n1.620657 4.620687 2.846223\n-0.004834 -0.003422 5.701954\nSr Hf Ti O\n2 1 1 6\ndirect\n0.750578 0.750577 0.245384 Sr\n0.249424 0.249423 0.754613 Sr\n0.000000 0.000000 0.499999 Hf\n0.500001 0.500000 -0.000001 Ti\n0.285968 0.774981 0.213164 O\n0.225020 0.714034 0.786832 O\n0.714035 0.225019 0.786833 O\n0.774982 0.285967 0.213164 O\n0.256223 0.256222 0.301579 O\n0.743780 0.743778 0.698418 O\n",
"nsites": 10,
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"density_atomic": 0.07741608269862163,
"volume": 129.17212614502446,
"volume_molar": 7.778927259138135,
"formula_full": "Sr2 Hf1 Ti1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 12
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{
"id": "jvasp-45392",
"created_at": "2022-09-04T14:37:04.745147Z",
"updated_at": "2022-09-04T14:37:04.745163Z",
"structure_string": "Na8 Li4 Ga4 As8\n1.0\n5.886641 -0.000000 -0.000000\n0.000000 9.169418 -1.388351\n0.000000 0.013724 9.273918\nNa Li Ga As\n8 4 4 8\ndirect\n0.750000 0.572234 0.927766 Na\n0.223193 0.823613 0.176387 Na\n0.276807 0.323613 0.676387 Na\n0.776807 0.176387 0.823613 Na\n0.750000 0.072234 0.427766 Na\n0.250000 0.427766 0.072234 Na\n0.250000 0.927766 0.572234 Na\n0.723193 0.676387 0.323613 Na\n0.500000 0.380665 0.380665 Li\n0.500000 0.619335 0.619335 Li\n0.000000 0.119335 0.119335 Li\n0.000000 0.880665 0.880665 Li\n0.500000 0.868299 0.868299 Ga\n0.500000 0.131701 0.131701 Ga\n0.000000 0.631701 0.631701 Ga\n0.000000 0.368299 0.368299 Ga\n0.250000 0.641514 0.858486 As\n0.721772 0.892669 0.107331 As\n0.778228 0.392669 0.607332 As\n0.278228 0.107331 0.892669 As\n0.221772 0.607331 0.392669 As\n0.750000 0.358486 0.141514 As\n0.250000 0.141514 0.358486 As\n0.750000 0.858486 0.641514 As\n",
"nsites": 24,
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],
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]
}