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{
"id": "jvasp-37520",
"created_at": "2022-09-04T14:37:47.015944Z",
"updated_at": "2022-09-04T14:37:47.015963Z",
"structure_string": "Sr1 Al1 Ge1 H1\n1.0\n2.129091 -3.687695 0.000000\n2.129091 3.687695 -0.000000\n0.000000 0.000000 4.980382\nSr Al Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000413 Sr\n0.666667 0.333332 0.457667 Al\n0.333332 0.666667 0.564515 Ge\n0.666667 0.333332 0.106602 H\n",
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{
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"structure_string": "Li1 Sb1 F6\n1.0\n4.509030 0.056403 3.028820\n1.643489 4.199223 3.028820\n0.081545 0.056403 5.431247\nLi Sb F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sb\n0.623259 0.891282 0.243011 F\n0.891283 0.243009 0.623259 F\n0.756990 0.376741 0.108717 F\n0.243010 0.623257 0.891285 F\n0.108717 0.756989 0.376742 F\n0.376741 0.108716 0.756991 F\n",
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{
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"structure_string": "Ti1 Be2 Br1\n1.0\n3.398415 0.000000 0.000000\n-0.000000 3.398415 0.000000\n-0.000000 -0.000000 5.244224\nTi Be Br\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ti\n0.000000 0.000000 0.682885 Be\n0.000000 0.000000 0.317114 Be\n0.500001 0.500001 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:36.613043Z",
"updated_at": "2022-09-04T14:38:36.613063Z",
"structure_string": "K2 Ga1 Ag1 Br6\n1.0\n6.546312 -0.000000 3.779515\n2.182104 6.171922 3.779515\n-0.000000 -0.000000 7.559030\nK Ga Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Ag\n0.759239 0.240761 0.240762 Br\n0.240761 0.240761 0.759239 Br\n0.240761 0.759239 0.759240 Br\n0.240761 0.759239 0.240762 Br\n0.759239 0.240761 0.759240 Br\n0.759238 0.759239 0.240762 Br\n",
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},
{
"id": "jvasp-96985",
"created_at": "2022-09-04T14:36:21.371911Z",
"updated_at": "2022-09-04T14:36:21.371934Z",
"structure_string": "Al8 Co2 B4 O20\n1.0\n4.387094 0.000000 0.000000\n0.000000 6.873026 -2.301675\n0.000000 -0.000329 9.601406\nAl Co B O\n8 2 4 20\ndirect\n0.519960 0.702738 0.331663 Al\n0.480039 0.297263 0.668339 Al\n0.005618 0.075513 0.391476 Al\n0.994381 0.924488 0.608525 Al\n0.505617 0.924488 0.108525 Al\n0.494382 0.075513 0.891476 Al\n0.019961 0.297263 0.168338 Al\n0.980039 0.702738 0.831663 Al\n0.000000 0.500000 0.500001 Co\n0.500000 0.500000 0.000000 Co\n0.070184 0.708626 0.148893 B\n0.929815 0.291375 0.851108 B\n0.429816 0.708625 0.648893 B\n0.570184 0.291375 0.351108 B\n0.741718 0.120458 0.242897 O\n0.258281 0.879543 0.757104 O\n0.800571 0.288949 0.995515 O\n0.207238 0.541393 0.185443 O\n0.240897 0.281482 0.344611 O\n0.758280 0.120458 0.742898 O\n0.199428 0.711052 0.004486 O\n0.292761 0.541393 0.685443 O\n0.716597 0.887598 0.938528 O\n0.759102 0.718519 0.655390 O\n0.259102 0.281482 0.844611 O\n0.216597 0.112402 0.561473 O\n0.792761 0.458607 0.814559 O\n0.699427 0.288949 0.495515 O\n0.783402 0.887598 0.438528 O\n0.300572 0.711052 0.504486 O\n0.707238 0.458607 0.314558 O\n0.740897 0.718519 0.155390 O\n0.283402 0.112402 0.061473 O\n0.241719 0.879543 0.257103 O\n",
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"formula_full": "Al8 Co2 B4 O20",
"formula_reduced": "Al4Co(BO5)2",
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{
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"created_at": "2022-09-04T14:37:02.835474Z",
"updated_at": "2022-09-04T14:37:02.835498Z",
"structure_string": "La1 Y1 Mg2\n1.0\n4.724725 -0.000000 2.727821\n1.574908 4.454513 2.727821\n0.000000 -0.000000 5.455642\nLa Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.749999 0.750000 Mg\n",
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],
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},
{
"id": "jvasp-43767",
"created_at": "2022-09-04T14:35:41.661930Z",
"updated_at": "2022-09-04T14:35:41.661966Z",
"structure_string": "Li4 Ti5 Cr3 O16\n1.0\n5.840694 -0.022527 0.016862\n-2.939856 5.091965 -0.000018\n0.027066 0.015599 9.505269\nLi Ti Cr O\n4 5 3 16\ndirect\n0.331493 0.665758 0.894888 Li\n0.993021 0.996513 0.993170 Li\n0.996840 0.998427 0.496861 Li\n0.669160 0.334593 0.399356 Li\n0.347510 0.173767 0.721665 Ti\n0.177383 0.834467 0.217349 Ti\n0.336143 0.668082 0.496709 Ti\n0.177381 0.342938 0.217347 Ti\n0.681256 0.340637 0.990840 Ti\n0.828417 0.168813 0.712836 Cr\n0.657060 0.828540 0.212249 Cr\n0.828416 0.659626 0.712836 Cr\n0.332071 0.166044 0.095774 O\n0.834579 0.667874 0.095943 O\n0.662995 0.331510 0.602720 O\n0.514558 0.034923 0.841598 O\n0.514559 0.479658 0.841600 O\n0.665224 0.832622 0.597073 O\n0.482514 0.518937 0.340569 O\n0.037313 0.518667 0.339750 O\n0.167359 0.333524 0.596236 O\n-0.003016 -0.001495 0.808115 O\n0.996324 0.998173 0.310755 O\n0.329058 0.664540 0.100988 O\n0.957909 0.478967 0.837864 O\n0.167359 0.833856 0.596237 O\n0.482516 0.963600 0.340570 O\n0.834580 0.166722 0.095940 O\n",
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"formula_full": "Li4 Ti5 Cr3 O16",
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{
"id": "jvasp-13827",
"created_at": "2022-09-04T14:35:55.942470Z",
"updated_at": "2022-09-04T14:35:55.942497Z",
"structure_string": "Mg2 Si2 O6\n1.0\n2.711637 0.000000 -0.000000\n-1.355819 4.583012 -0.000000\n-0.000000 0.000000 6.710265\nMg Si O\n2 2 6\ndirect\n0.259928 0.519856 0.749999 Mg\n0.740072 0.480143 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.626456 0.252912 0.943947 O\n0.373544 0.747087 0.056053 O\n0.373544 0.747087 0.443947 O\n0.626456 0.252912 0.556052 O\n0.926465 0.852929 0.749999 O\n0.073536 0.147070 0.250000 O\n",
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"volume": 83.39158282862256,
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},
{
"id": "jvasp-98759",
"created_at": "2022-09-04T14:36:15.904137Z",
"updated_at": "2022-09-04T14:36:15.904164Z",
"structure_string": "K4 Ag4 C4 O12\n1.0\n5.469040 -0.000019 -1.487302\n-0.431120 5.636496 -1.585532\n0.083831 0.074079 11.109432\nK Ag C O\n4 4 4 12\ndirect\n0.181593 0.931545 0.363062 K\n0.318404 0.568455 0.636938 K\n0.818406 0.068456 0.636938 K\n0.681596 0.431545 0.363062 K\n0.249991 0.865760 -0.000001 Ag\n0.749997 0.634234 0.000000 Ag\n0.750009 0.134240 0.000001 Ag\n0.250003 0.365766 0.000000 Ag\n0.127744 0.377687 0.255362 C\n0.372260 0.122309 0.744639 C\n0.872256 0.622314 0.744638 C\n0.627740 0.877692 0.255361 C\n0.548748 0.016691 0.804715 O\n0.809966 0.560056 0.620096 O\n0.690022 0.939958 0.379902 O\n0.190034 0.439945 0.379904 O\n0.309978 0.060043 0.620098 O\n0.048747 0.788001 0.804713 O\n0.744148 0.712003 0.195290 O\n0.451251 0.983309 0.195285 O\n0.755850 0.516689 0.804710 O\n0.951253 0.212000 0.195287 O\n0.255852 0.287997 0.804710 O\n0.244150 0.483312 0.195290 O\n",
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{
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"created_at": "2022-09-04T14:37:11.484942Z",
"updated_at": "2022-09-04T14:37:11.484967Z",
"structure_string": "Ni1 H2 O2\n1.0\n0.454947 0.262663 4.437289\n-2.683084 0.272081 4.758619\n-1.105912 -2.459659 4.758619\nNi H O\n1 2 2\ndirect\n0.000001 0.887289 0.112710 Ni\n0.222990 0.553968 0.779368 H\n0.777012 0.220631 0.446032 H\n0.442089 0.553959 0.779376 O\n0.557913 0.220623 0.446040 O\n",
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},
{
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{
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"created_at": "2022-09-04T14:38:01.290150Z",
"updated_at": "2022-09-04T14:38:01.290171Z",
"structure_string": "Mg4 Ti4 Ge8 O24\n1.0\n5.119917 0.000000 -1.575384\n0.000000 8.484471 0.000000\n-0.206084 0.000000 12.049148\nMg Ti Ge O\n4 4 8 24\ndirect\n0.411672 0.457705 0.257713 Mg\n0.088329 0.957705 0.742287 Mg\n0.588329 0.542295 0.742288 Mg\n0.911672 0.042295 0.257713 Mg\n0.917550 0.656235 0.275185 Ti\n0.582451 0.156235 0.724816 Ti\n0.082451 0.343765 0.724816 Ti\n0.417550 0.843765 0.275184 Ti\n0.714154 0.150381 0.469183 Ge\n0.785848 0.650381 0.530818 Ge\n0.214153 0.349619 0.469183 Ge\n0.285848 0.849619 0.530818 Ge\n0.230542 0.647338 0.925530 Ge\n0.730543 0.852662 0.925530 Ge\n0.769459 0.352662 0.074471 Ge\n0.269459 0.147338 0.074471 Ge\n0.216071 0.003490 0.194892 O\n0.144471 0.851405 0.377882 O\n0.355531 0.351405 0.622119 O\n0.309191 0.164226 0.789687 O\n0.190810 0.664226 0.210313 O\n0.690811 0.835773 0.210313 O\n0.809191 0.335773 0.789688 O\n0.716071 0.496510 0.194893 O\n0.783930 -0.003490 0.805108 O\n0.283930 0.503490 0.805108 O\n0.133662 0.537285 0.411356 O\n0.965941 0.203911 0.403262 O\n0.866339 0.462715 0.588645 O\n0.633662 0.962715 0.411356 O\n0.638837 0.183401 0.153737 O\n0.861165 0.683401 0.846264 O\n0.361165 0.816598 0.846264 O\n0.138836 0.316599 0.153737 O\n0.644471 0.648595 0.377882 O\n0.534061 0.703911 0.596739 O\n0.034060 0.796089 0.596739 O\n0.465941 0.296089 0.403261 O\n0.366339 0.037285 0.588645 O\n0.855531 0.148595 0.622119 O\n",
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}
]
}