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{
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"results": [
{
"id": "jvasp-43184",
"created_at": "2022-09-04T14:36:58.531698Z",
"updated_at": "2022-09-04T14:36:58.531726Z",
"structure_string": "Li6 Fe2 O2 F6\n1.0\n-2.922712 0.011436 -0.007288\n1.427157 4.905855 -0.033081\n-0.039383 -1.850009 -9.911652\nLi Fe O F\n6 2 2 6\ndirect\n0.756327 0.507918 0.131914 Li\n0.498201 0.001483 0.249991 Li\n0.498132 0.001386 0.749966 Li\n0.989026 -0.002302 0.496339 Li\n0.240043 0.495010 0.368078 Li\n0.007330 0.005157 0.003631 Li\n0.718534 0.487463 0.646454 Fe\n0.277815 0.515354 0.853522 Fe\n0.904770 0.776689 0.821003 O\n0.091553 0.226121 0.678971 O\n0.871493 0.749139 0.311387 F\n0.610945 0.244330 0.428161 F\n0.633930 0.268349 0.951498 F\n0.124931 0.253809 0.188610 F\n0.385463 0.758602 0.071829 F\n0.362437 0.734529 0.548495 F\n",
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{
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"structure_string": "Mg1 Te1 H12 O9\n1.0\n5.908585 -0.055287 -0.811275\n-0.922805 5.836340 -0.811275\n-0.047682 -0.055287 5.963830\nMg Te H O\n1 1 12 9\ndirect\n0.002956 0.002956 0.002956 Mg\n0.553387 0.553387 0.553386 Te\n0.031900 0.538961 0.957487 H\n0.957488 0.031900 0.538961 H\n0.632312 0.737348 0.127370 H\n0.127371 0.632312 0.737348 H\n0.176003 0.814579 0.384308 H\n0.422779 0.283104 0.080128 H\n0.080128 0.422779 0.283104 H\n0.283105 0.080128 0.422779 H\n0.384309 0.176003 0.814579 H\n0.814580 0.384309 0.176003 H\n0.737349 0.127371 0.632312 H\n0.538961 0.957487 0.031899 H\n0.141813 0.965214 0.340112 O\n0.965215 0.340113 0.141813 O\n0.340114 0.141813 0.965214 O\n0.874730 0.050729 0.672354 O\n0.050729 0.672354 0.874728 O\n0.672355 0.874729 0.050728 O\n0.501508 0.239254 0.589752 O\n0.239254 0.589753 0.501507 O\n0.589753 0.501508 0.239254 O\n",
"nsites": 23,
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"formula_full": "Mg1 Te1 H12 O9",
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{
"id": "jvasp-36262",
"created_at": "2022-09-04T14:37:16.712387Z",
"updated_at": "2022-09-04T14:37:16.712420Z",
"structure_string": "Mg1 H2\n1.0\n2.372866 2.372866 0.000000\n2.372866 0.000000 -2.372866\n0.000000 2.372866 -2.372866\nMg H\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 H\n0.750001 0.750001 0.750001 H\n",
"nsites": 3,
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"volume": 26.720811061936722,
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{
"id": "jvasp-48196",
"created_at": "2022-09-04T14:37:56.765070Z",
"updated_at": "2022-09-04T14:37:56.765082Z",
"structure_string": "Li4 Co4 Si2 O12\n1.0\n0.000000 4.850741 0.000000\n-4.181891 2.425371 0.000000\n0.000000 0.000000 9.660243\nLi Co Si O\n4 4 2 12\ndirect\n0.143747 0.500000 0.750000 Li\n0.356253 0.500000 0.250000 Li\n0.643747 0.500000 0.750000 Li\n0.856253 0.500000 0.250000 Li\n0.664533 0.670934 0.000000 Co\n0.164533 0.670934 0.500000 Co\n0.335467 0.329066 0.000000 Co\n0.835467 0.329066 0.500000 Co\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.187901 0.000000 0.598483 O\n0.312099 0.000000 0.098483 O\n0.182642 0.321075 0.397288 O\n0.996284 0.321075 0.897288 O\n0.496284 0.321075 0.602712 O\n0.503716 0.678925 0.397288 O\n0.003716 0.678925 0.102712 O\n0.817358 0.678925 0.602712 O\n0.317358 0.678925 0.897288 O\n0.687901 0.000000 0.901517 O\n0.682642 0.321075 0.102712 O\n0.812099 0.000000 0.401517 O\n",
"nsites": 22,
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"formula_full": "Li4 Co4 Si2 O12",
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{
"id": "jvasp-30832",
"created_at": "2022-09-04T14:38:34.295892Z",
"updated_at": "2022-09-04T14:38:34.295926Z",
"structure_string": "Be17 Nb2\n1.0\n5.527251 -0.010359 0.682543\n0.602180 5.494359 0.682543\n-0.011578 -0.010359 5.569222\nBe Nb\n17 2\ndirect\n0.401263 0.401263 0.401262 Be\n0.846445 0.846445 0.339006 Be\n0.846445 0.339006 0.846445 Be\n0.339006 0.846445 0.846445 Be\n0.660993 0.153554 0.153554 Be\n0.153554 0.153554 0.660993 Be\n0.153554 0.660993 0.153554 Be\n0.500000 0.793639 0.206360 Be\n0.793639 0.206361 0.499999 Be\n0.500000 0.206361 0.793638 Be\n0.206361 0.793639 0.499999 Be\n0.793639 0.500000 0.206360 Be\n0.500000 -0.000000 0.500000 Be\n-0.000000 0.500000 0.500000 Be\n0.500000 0.500000 -0.000001 Be\n0.598737 0.598737 0.598736 Be\n0.206361 0.500000 0.793638 Be\n0.160081 0.160081 0.160081 Nb\n0.839919 0.839919 0.839918 Nb\n",
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],
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{
"id": "jvasp-45864",
"created_at": "2022-09-04T14:38:04.117107Z",
"updated_at": "2022-09-04T14:38:04.117132Z",
"structure_string": "Li3 Fe2 Ni2 O8\n1.0\n5.588299 0.007087 0.014548\n-0.007050 5.733389 -0.041048\n-2.774511 -2.840199 4.184370\nLi Fe Ni O\n3 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.709348 0.226040 0.452140 O\n0.255917 0.779120 0.006689 O\n0.243703 0.231296 0.462600 O\n0.744079 0.772421 0.993288 O\n0.255921 0.227580 0.006712 O\n0.756298 0.768704 0.537400 O\n0.744083 0.220880 -0.006689 O\n0.290653 0.773961 0.547860 O\n",
"nsites": 15,
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],
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"density": 4.695240459676278,
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"volume": 133.64798160221847,
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"formula_full": "Li3 Fe2 Ni2 O8",
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{
"id": "jvasp-101931",
"created_at": "2022-09-04T14:37:00.967049Z",
"updated_at": "2022-09-04T14:37:00.967081Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.604879 0.024797 1.885982\n2.664707 6.368579 -0.134467\n-0.195111 -0.162247 6.041826\nMg H C O\n2 4 6 8\ndirect\n0.523892 0.191799 0.526973 Mg\n0.900513 0.103082 0.967648 Mg\n0.307871 0.929708 0.339596 H\n0.064651 0.644893 0.684660 H\n0.469644 0.638365 0.327636 H\n0.805565 0.658849 -0.028353 H\n0.827625 0.651973 0.782604 C\n0.294337 0.777393 0.311748 C\n0.588170 0.857077 0.779716 C\n0.809784 0.447043 0.709269 C\n0.185043 0.380557 0.197800 C\n0.056235 0.774628 0.260828 C\n0.445844 0.328681 0.223986 O\n0.002026 0.588306 0.221888 O\n0.583282 0.435369 0.671259 O\n0.070415 0.254793 0.158707 O\n0.328924 0.872056 0.783040 O\n0.825596 0.940631 0.248105 O\n0.665686 0.018818 0.773359 O\n0.046035 0.277791 0.695817 O\n",
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],
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"density": 2.3545740822743895,
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"formula_full": "Mg2 H4 C6 O8",
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{
"id": "jvasp-88048",
"created_at": "2022-09-04T14:35:42.809922Z",
"updated_at": "2022-09-04T14:35:42.809949Z",
"structure_string": "Mg2 C2 O6\n1.0\n3.611326 -0.000001 0.000001\n-0.000003 4.892908 -1.573947\n0.000000 -0.277667 5.132291\nMg C O\n2 2 6\ndirect\n0.750008 0.787419 0.212578 Mg\n0.250007 0.212581 0.787421 Mg\n-0.000001 0.346859 0.346860 C\n0.500000 0.653142 0.653140 C\n0.850363 0.345305 0.105275 O\n0.249999 0.583290 0.416710 O\n0.350364 0.654695 0.894722 O\n0.649636 0.894719 0.654692 O\n0.749998 0.416711 0.583290 O\n0.149636 0.105279 0.345307 O\n",
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"volume": 89.10872710514973,
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"spacegroup": 20
},
{
"id": "jvasp-100455",
"created_at": "2022-09-04T14:36:42.802535Z",
"updated_at": "2022-09-04T14:36:42.802544Z",
"structure_string": "V4 O4\n1.0\n3.146913 -0.378606 0.801754\n-0.350464 4.930890 -0.709691\n-0.051081 -0.058849 4.629032\nV O\n4 4\ndirect\n0.499893 0.499920 -0.000030 V\n0.750109 0.750079 0.500030 V\n0.000076 0.000047 -0.000026 V\n0.249924 0.249953 0.500026 V\n0.874940 0.375007 0.250022 O\n0.125001 0.625000 0.749999 O\n0.375060 0.874991 0.249976 O\n0.624999 0.124999 0.749999 O\n",
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},
{
"id": "jvasp-50723",
"created_at": "2022-09-04T14:36:36.493134Z",
"updated_at": "2022-09-04T14:36:36.493158Z",
"structure_string": "Li5 Cu1 F6\n1.0\n5.077403 -0.016736 -0.013662\n2.510493 4.413359 0.013662\n-0.895128 1.544854 4.772600\nLi Cu F\n5 1 6\ndirect\n0.165881 0.165880 0.500000 Li\n0.333065 0.333065 -0.000000 Li\n0.500000 0.499999 0.500000 Li\n0.666934 0.666935 -0.000000 Li\n0.834118 0.834118 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.084887 0.557975 0.254309 F\n0.557975 0.084886 0.745691 F\n0.268848 0.731151 0.727053 F\n0.731151 0.268848 0.272947 F\n0.442024 0.915113 0.254309 F\n0.915112 0.442024 0.745691 F\n",
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],
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"volume": 106.93294823897472,
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{
"id": "jvasp-29421",
"created_at": "2022-09-04T14:38:03.414173Z",
"updated_at": "2022-09-04T14:38:03.414189Z",
"structure_string": "Mg4 H24 C8 O24\n1.0\n7.197630 -0.000000 0.000000\n0.000000 8.507897 0.000000\n0.000000 0.000000 8.731124\nMg H C O\n4 24 8 24\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.347107 0.515465 0.620467 H\n0.642873 0.123730 0.994821 H\n0.847107 0.984536 0.620467 H\n0.417606 0.187823 0.170574 H\n0.152893 0.515465 0.120468 H\n0.357127 0.876270 0.005179 H\n0.857127 0.623730 0.005179 H\n0.642873 0.623730 0.505178 H\n0.582394 0.312178 0.670574 H\n0.082394 0.187823 0.670574 H\n0.652893 0.484535 0.379532 H\n0.142873 0.376270 0.994821 H\n0.347107 0.015465 0.879532 H\n0.857127 0.123730 0.494821 H\n0.652893 0.984536 0.120468 H\n0.357127 0.376270 0.494821 H\n0.917606 0.812178 0.329426 H\n0.417606 0.687823 0.329426 H\n0.082394 0.687823 0.829426 H\n0.582394 0.812178 0.829426 H\n0.142873 0.876270 0.505178 H\n0.152893 0.015465 0.379532 H\n0.917606 0.312178 0.170574 H\n0.847107 0.484535 0.879532 H\n0.520392 0.234807 0.759105 C\n0.979608 0.734807 0.240894 C\n0.979608 0.234807 0.259106 C\n0.020392 0.265194 0.759105 C\n0.479608 0.765194 0.240894 C\n0.479608 0.265194 0.259106 C\n0.520392 0.734807 0.740894 C\n0.020392 0.765194 0.740894 C\n0.478587 0.218368 0.397205 O\n0.978587 0.781633 0.102795 O\n0.218637 0.465040 0.032741 O\n0.454954 0.603151 0.782390 O\n0.718637 0.534960 0.467258 O\n0.521413 0.281633 0.897205 O\n0.954954 0.396850 0.717610 O\n0.954954 0.896850 0.782390 O\n0.021413 0.218368 0.897205 O\n0.521413 0.781633 0.602794 O\n0.545045 0.396850 0.217610 O\n0.021413 0.718368 0.602794 O\n0.045046 0.103150 0.217610 O\n0.454954 0.103150 0.717610 O\n0.218637 0.965040 0.467258 O\n0.281363 0.965040 0.967258 O\n0.545045 0.896850 0.282390 O\n0.978587 0.281633 0.397205 O\n0.718637 0.034960 0.032741 O\n0.781363 0.534960 0.967258 O\n0.045046 0.603151 0.282390 O\n0.478587 0.718368 0.102795 O\n0.281363 0.465040 0.532741 O\n0.781363 0.034960 0.532741 O\n",
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],
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"volume": 534.6651746371052,
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"formula_full": "Mg4 H24 C8 O24",
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},
{
"id": "jvasp-46046",
"created_at": "2022-09-04T14:38:10.970055Z",
"updated_at": "2022-09-04T14:38:10.970080Z",
"structure_string": "Li8 B4 O10\n1.0\n4.717293 3.507913 -0.009923\n-4.717293 3.507913 0.009923\n-1.938695 0.000000 5.927642\nLi B O\n8 4 10\ndirect\n0.666689 0.928482 0.729129 Li\n0.340089 0.615828 0.503592 Li\n0.071517 0.333310 0.229129 Li\n0.384171 0.659909 0.003593 Li\n0.615827 0.340090 0.996407 Li\n0.928481 0.666689 0.770871 Li\n0.659909 0.384171 0.496407 Li\n0.333310 0.071518 0.270871 Li\n0.946154 0.761041 0.146907 B\n0.238958 0.053845 0.646907 B\n0.053844 0.238959 0.853092 B\n0.761041 0.946155 0.353092 B\n0.843938 0.313059 0.809592 O\n0.313058 0.843939 0.690408 O\n0.156060 0.686941 0.190408 O\n0.265461 0.323657 0.991423 O\n0.044289 0.044290 0.750000 O\n0.676342 0.734538 0.491423 O\n0.323656 0.265462 0.508577 O\n0.955710 0.955710 0.250000 O\n0.734538 0.676342 0.008578 O\n0.686940 0.156061 0.309592 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Li8 B4 O10",
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"formula_anonymous": "A2B4C5",
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}
]
}