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{
"id": "jvasp-46737",
"created_at": "2022-09-04T14:37:59.191262Z",
"updated_at": "2022-09-04T14:37:59.191280Z",
"structure_string": "Li5 Si2 Ni1 O8\n1.0\n3.643598 3.691907 0.017257\n-3.643598 3.691907 -0.017257\n0.028912 0.000000 6.224909\nLi Si Ni O\n5 2 1 8\ndirect\n0.172507 0.792947 0.490914 Li\n0.692159 0.692159 0.750000 Li\n0.331377 0.331377 0.250000 Li\n0.681185 0.681186 0.250000 Li\n0.792947 0.172507 0.009086 Li\n0.170169 0.816822 0.004626 Si\n0.816821 0.170170 0.495374 Si\n0.322252 0.322253 0.750000 Ni\n0.303530 0.688544 0.779947 O\n0.304608 0.699670 0.216782 O\n0.139226 0.225327 0.509493 O\n0.801204 0.858478 0.501063 O\n0.225327 0.139226 0.990508 O\n0.858478 0.801204 0.998938 O\n0.688543 0.303531 0.720053 O\n0.699670 0.304608 0.283218 O\n",
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{
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"structure_string": "Be2 Zn1 Cu1\n1.0\n2.765958 0.000000 0.000000\n0.000000 2.765958 0.000000\n-0.000000 0.000000 5.472426\nBe Zn Cu\n2 1 1\ndirect\n0.000000 0.000000 0.773721 Be\n0.000000 0.000000 0.226280 Be\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Cu\n",
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{
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"structure_string": "Be2 Zn1 Cu1\n1.0\n2.766287 0.000000 -0.000000\n0.000000 2.766287 0.000000\n-0.000000 0.000000 5.470896\nBe Zn Cu\n2 1 1\ndirect\n0.000000 0.000000 0.773709 Be\n0.000000 0.000000 0.226291 Be\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 Cu\n",
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},
{
"id": "jvasp-58408",
"created_at": "2022-09-04T14:37:37.888399Z",
"updated_at": "2022-09-04T14:37:37.888423Z",
"structure_string": "Na2 Al2 P2 O8 F2\n1.0\n5.067300 -0.013886 -1.388030\n-1.711965 4.769371 -1.388030\n0.001402 0.001986 6.934571\nNa Al P O F\n2 2 2 8 2\ndirect\n0.332050 0.667952 0.750000 Na\n0.667951 0.332049 0.250000 Na\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.682807 0.317193 0.750000 P\n0.317194 0.682807 0.250000 P\n0.304828 0.885769 0.122304 O\n0.114231 0.695173 0.377696 O\n0.238581 0.378923 0.096933 O\n0.621077 0.761419 0.403067 O\n0.761419 0.621077 0.903067 O\n0.378923 0.238581 0.596933 O\n0.695173 0.114231 0.877696 O\n0.885769 0.304827 0.622304 O\n0.929458 0.070541 0.250000 F\n0.070542 0.929459 0.750000 F\n",
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{
"id": "jvasp-10654",
"created_at": "2022-09-04T14:37:07.435992Z",
"updated_at": "2022-09-04T14:37:07.436017Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n5.916533 0.001086 0.000768\n2.959208 5.125498 -0.000000\n2.959208 1.708500 4.832364\nMg Cr O\n2 4 8\ndirect\n0.989915 0.003362 0.003362 Mg\n0.121619 0.626127 0.626126 Mg\n0.260869 0.246377 0.246377 Cr\n0.628071 0.120236 0.625846 Cr\n0.628071 0.625847 0.120236 Cr\n0.628071 0.625847 0.625846 Cr\n0.391561 0.376634 0.376633 O\n0.391561 0.376634 0.855171 O\n0.391561 0.855172 0.376633 O\n0.852074 0.382643 0.382642 O\n0.406943 0.864353 0.864352 O\n0.853228 0.408573 0.869100 O\n0.853228 0.869101 0.408572 O\n0.853228 0.869101 0.869100 O\n",
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"spacegroup": 160
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{
"id": "jvasp-112444",
"created_at": "2022-09-04T14:38:40.350964Z",
"updated_at": "2022-09-04T14:38:40.350984Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.093179 0.041074 2.066543\n1.362852 4.907626 2.066543\n0.057721 0.044244 7.590324\nFe O F\n6 7 5\ndirect\n0.667812 0.667812 0.832574 Fe\n0.338881 0.338881 0.649815 Fe\n0.650858 0.650858 0.335327 Fe\n0.348675 0.348675 0.187307 Fe\n0.997006 0.997006 0.500270 Fe\n0.003028 0.003028 0.003657 Fe\n0.308976 0.704352 -0.000302 O\n0.704352 0.308976 -0.000302 O\n0.029791 0.634187 0.663860 O\n0.432302 0.432302 0.372158 O\n0.958619 0.362715 0.335596 O\n0.634187 0.029790 0.663860 O\n0.362715 0.958619 0.335596 O\n0.772918 0.772918 0.027558 F\n0.889363 0.889362 0.300648 F\n0.238512 0.238511 0.954203 F\n0.567030 0.567030 0.638244 F\n0.094973 0.094973 0.699925 F\n",
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"volume": 188.3768609077198,
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"formula_full": "Fe6 O7 F5",
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{
"id": "jvasp-47578",
"created_at": "2022-09-04T14:36:40.586565Z",
"updated_at": "2022-09-04T14:36:40.586588Z",
"structure_string": "Li2 Ti3 Co1 O8\n1.0\n5.882892 -0.040103 -0.028357\n2.906716 5.114786 -0.028357\n2.906716 1.678193 4.831718\nLi Ti Co O\n2 3 1 8\ndirect\n0.119334 0.119334 0.119334 Li\n0.500118 0.500117 0.500117 Li\n0.007416 0.498607 0.498607 Ti\n0.498607 0.498608 0.007415 Ti\n0.498607 0.007415 0.498607 Ti\n0.882922 0.882922 0.882920 Co\n0.258677 0.258677 0.258676 O\n0.251714 0.711903 0.251713 O\n0.251714 0.251713 0.711902 O\n0.711902 0.251714 0.251713 O\n0.282657 0.746582 0.746582 O\n0.746582 0.746583 0.282655 O\n0.746583 0.282656 0.746582 O\n0.743175 0.743175 0.743174 O\n",
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],
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"formula_full": "Li2 Ti3 Co1 O8",
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{
"id": "jvasp-43306",
"created_at": "2022-09-04T14:36:08.638521Z",
"updated_at": "2022-09-04T14:36:08.638545Z",
"structure_string": "Ni4 P2 O10\n1.0\n0.000000 5.327171 -0.000000\n2.663585 -2.663585 5.900111\n5.327171 0.000000 0.000000\nNi P O\n4 2 10\ndirect\n0.499999 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.499999 0.500000 0.500000 Ni\n0.124999 0.750000 0.125001 P\n0.875000 0.250000 0.875000 P\n0.805221 0.110440 0.189687 O\n0.300126 0.610440 0.194780 O\n0.375000 0.250000 0.375000 O\n0.810312 0.610440 0.194780 O\n0.194778 0.889560 0.300128 O\n0.805221 0.110440 0.699873 O\n0.699873 0.389560 0.805221 O\n0.189687 0.389560 0.805221 O\n0.624999 0.750000 0.625001 O\n0.194778 0.889560 0.810314 O\n",
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},
{
"id": "jvasp-45067",
"created_at": "2022-09-04T14:38:08.296204Z",
"updated_at": "2022-09-04T14:38:08.296222Z",
"structure_string": "Mg4 Fe2 O8\n1.0\n0.000000 4.184086 4.184086\n-4.184116 4.184086 0.000000\n-0.000000 -4.184086 4.184086\nMg Fe O\n4 2 8\ndirect\n0.375000 0.750001 0.375000 Mg\n0.875001 0.750001 0.375000 Mg\n0.375000 0.250000 0.875001 Mg\n0.375000 0.250000 0.375000 Mg\n0.750001 0.500000 0.750001 Fe\n0.000000 0.000000 0.000000 Fe\n0.623422 0.753157 0.623435 O\n0.623422 0.753157 0.129722 O\n0.126578 0.746845 0.126565 O\n0.126578 0.746845 0.620279 O\n0.620279 0.253156 0.126578 O\n0.126565 0.253156 0.126578 O\n0.623435 0.246844 0.623422 O\n0.129722 0.246844 0.623422 O\n",
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{
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"created_at": "2022-09-04T14:36:17.732398Z",
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{
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"structure_string": "Li8 Nb2 O8\n1.0\n4.187720 3.467704 0.000000\n-4.187720 3.467704 0.000000\n0.000000 -0.000000 6.484888\nLi Nb O\n8 2 8\ndirect\n0.154403 0.845595 0.000000 Li\n0.154403 0.845595 0.500000 Li\n0.580826 0.865483 0.250000 Li\n0.134516 0.419173 0.750000 Li\n0.865483 0.580826 0.250000 Li\n0.419173 0.134516 0.750000 Li\n0.845595 0.154403 0.000000 Li\n0.845595 0.154403 0.500000 Li\n0.348253 0.348253 0.250000 Nb\n0.651746 0.651746 0.750000 Nb\n0.234220 0.672198 0.250000 O\n0.327800 0.765779 0.750000 O\n0.220220 0.220220 0.515443 O\n0.220220 0.220220 0.984557 O\n0.779779 0.779779 0.015443 O\n0.779779 0.779779 0.484557 O\n0.672198 0.234220 0.250000 O\n0.765779 0.327800 0.750000 O\n",
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{
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"structure_string": "Mn6 Co2\n1.0\n4.957607 -0.000000 0.000000\n-2.478803 4.293414 0.000000\n-0.000000 -0.000000 3.932702\nMn Co\n6 2\ndirect\n0.162166 0.324331 0.250000 Mn\n0.675670 0.837834 0.250000 Mn\n0.162166 0.837834 0.250000 Mn\n0.837835 0.675668 0.750000 Mn\n0.324331 0.162165 0.750000 Mn\n0.837835 0.162165 0.750000 Mn\n0.333334 0.666666 0.750000 Co\n0.666667 0.333333 0.250000 Co\n",
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]
}