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{
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"results": [
{
"id": "jvasp-43211",
"created_at": "2022-09-04T14:35:44.911396Z",
"updated_at": "2022-09-04T14:35:44.911424Z",
"structure_string": "Li1 Mn1 O2\n1.0\n0.000000 2.820127 -0.000000\n-2.739903 1.410063 0.002988\n0.354228 -1.410063 4.825118\nLi Mn O\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.724902 0.785348 0.235154 O\n0.275100 0.214650 0.764847 O\n",
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{
"id": "jvasp-7881",
"created_at": "2022-09-04T14:36:48.707226Z",
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"structure_string": "Li2 Ni1 O2\n1.0\n2.798248 0.001282 -0.000639\n-0.001796 3.752873 -0.005801\n-1.397028 -1.869773 4.441984\nLi Ni O\n2 1 2\ndirect\n0.303241 0.803245 0.606509 Li\n0.696757 0.196754 0.393490 Li\n-0.000001 0.500000 0.000000 Ni\n0.356824 0.356782 0.713620 O\n0.643174 0.643217 0.286379 O\n",
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{
"id": "jvasp-13357",
"created_at": "2022-09-04T14:36:58.461147Z",
"updated_at": "2022-09-04T14:36:58.461164Z",
"structure_string": "Li7 Nb1 O6\n1.0\n5.540555 0.002695 0.003926\n2.768010 4.799543 0.002306\n2.766139 1.600317 4.912301\nLi Nb O\n7 1 6\ndirect\n0.504982 0.875823 0.346127 Li\n0.769081 0.507354 0.652160 Li\n0.071493 0.766580 0.652174 Li\n0.347573 0.345082 0.959846 Li\n0.878327 0.270693 0.346092 Li\n0.273220 0.502507 0.346079 Li\n0.509850 0.069020 0.652184 Li\n-0.000037 0.997465 0.002710 Nb\n0.364646 0.764183 0.753997 O\n0.929723 0.617834 0.246740 O\n0.205826 0.927219 0.246725 O\n0.766688 0.114790 0.754004 O\n0.117272 0.362156 0.753999 O\n0.620347 0.203299 0.246773 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.02107302698581,
"density_atomic": 0.10724949018626852,
"volume": 130.53675104361906,
"volume_molar": 5.615076350983935,
"formula_full": "Li7 Nb1 O6",
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"formula_anonymous": "AB6C7",
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"spacegroup": 146
},
{
"id": "jvasp-119913",
"created_at": "2022-09-04T14:38:48.863245Z",
"updated_at": "2022-09-04T14:38:48.863262Z",
"structure_string": "B1 H2 O2\n1.0\n2.600991 -1.687260 0.148555\n2.600991 1.687260 0.148555\n-0.270549 0.000000 5.296617\nB H O\n1 2 2\ndirect\n0.499999 0.499999 -0.000001 B\n0.544475 0.544475 0.588394 H\n0.455522 0.455522 0.411605 H\n0.649089 0.649089 0.807820 O\n0.350908 0.350908 0.192179 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density_atomic": 0.10723965614329987,
"volume": 46.624543380843264,
"volume_molar": 5.615591262203289,
"formula_full": "B1 H2 O2",
"formula_reduced": "B(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.930859916666667,
"spacegroup": 12
},
{
"id": "jvasp-48921",
"created_at": "2022-09-04T14:35:47.341901Z",
"updated_at": "2022-09-04T14:35:47.341926Z",
"structure_string": "Li6 Fe1 O5 F1\n1.0\n5.452032 0.120005 0.049819\n2.638528 4.872090 0.006254\n2.520553 1.636130 4.636001\nLi Fe O F\n6 1 5 1\ndirect\n0.692207 0.465525 0.055338 Li\n0.511787 0.086030 0.748709 Li\n0.914002 0.306352 0.508378 Li\n0.077555 0.706013 0.472231 Li\n0.518247 0.914641 0.267575 Li\n0.256520 0.487509 0.925841 Li\n0.036104 0.987569 0.961646 Fe\n0.359425 0.808626 0.089285 O\n0.923783 0.667347 0.211840 O\n0.209506 0.888687 0.647624 O\n0.101488 0.341098 0.789952 O\n0.656160 0.211697 0.918607 O\n0.778215 0.129264 0.385406 F\n",
"nsites": 13,
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"elements": [
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"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.69143423395261,
"density_atomic": 0.1072372144240593,
"volume": 121.22657297486994,
"volume_molar": 5.6157191254390675,
"formula_full": "Li6 Fe1 O5 F1",
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{
"id": "jvasp-74673",
"created_at": "2022-09-04T14:36:02.933334Z",
"updated_at": "2022-09-04T14:36:02.933365Z",
"structure_string": "Mn1 Be2 Co1\n1.0\n2.652032 -0.000000 0.000000\n0.000000 2.652032 0.000000\n0.000000 -0.000000 5.303770\nMn Be Co\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.776043 Be\n0.000000 0.000000 0.223957 Be\n0.500000 0.500000 0.000000 Co\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.871339803932648,
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"volume": 37.30286620578563,
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"formula_full": "Mn1 Be2 Co1",
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"spacegroup": 123
},
{
"id": "jvasp-119370",
"created_at": "2022-09-04T14:38:50.849778Z",
"updated_at": "2022-09-04T14:38:50.849795Z",
"structure_string": "Li6 Fe1 O5 F1\n1.0\n4.851018 0.072286 2.462453\n1.641138 4.595434 2.560919\n0.062437 0.023195 5.507949\nLi Fe O F\n6 1 5 1\ndirect\n0.697950 0.468582 0.057573 Li\n0.510341 0.084408 0.747200 Li\n0.915229 0.306630 0.509301 Li\n0.076841 0.707923 0.473258 Li\n0.516932 0.916965 0.268979 Li\n0.261191 0.487367 0.926265 Li\n0.034169 0.987248 0.961490 Fe\n0.356705 0.807757 0.089567 O\n0.920421 0.666598 0.209074 O\n0.208105 0.888689 0.646965 O\n0.102192 0.340355 0.789372 O\n0.657216 0.210940 0.917975 O\n0.777713 0.126905 0.385410 F\n",
"nsites": 13,
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"elements": [
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"O",
"F"
],
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"density": 2.6910624318006096,
"density_atomic": 0.1072224003793413,
"volume": 121.24332186191879,
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"formula_full": "Li6 Fe1 O5 F1",
"formula_reduced": "Li6FeO5F",
"formula_anonymous": "ABC5D6",
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"spacegroup": 1
},
{
"id": "jvasp-43088",
"created_at": "2022-09-04T14:36:20.428768Z",
"updated_at": "2022-09-04T14:36:20.428791Z",
"structure_string": "Li3 Ti2 Cu1 O6\n1.0\n15.499600 -0.004014 -0.002455\n9.487969 2.856676 0.019960\n9.487969 1.318946 2.534043\nLi Ti Cu O\n3 2 1 6\ndirect\n0.166666 0.500002 0.500000 Li\n0.515632 0.489561 0.489559 Li\n0.817698 0.510443 0.510442 Li\n0.033900 0.976607 0.976603 Ti\n0.299431 0.023396 0.023397 Ti\n0.666666 0.000000 0.000001 Cu\n0.192713 0.295057 0.295056 O\n0.566810 0.270761 0.270760 O\n0.140618 0.704947 0.704943 O\n0.954994 0.222020 0.222020 O\n0.378336 0.777984 0.777981 O\n0.766521 0.729243 0.729241 O\n",
"nsites": 12,
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"elements": [
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"Cu",
"O"
],
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"density": 4.096288991482632,
"density_atomic": 0.10721542564252617,
"volume": 111.92419307283235,
"volume_molar": 5.616860376116777,
"formula_full": "Li3 Ti2 Cu1 O6",
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"formula_anonymous": "AB2C3D6",
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"spacegroup": 12
},
{
"id": "jvasp-12869",
"created_at": "2022-09-04T14:37:27.159869Z",
"updated_at": "2022-09-04T14:37:27.159889Z",
"structure_string": "Li10 Al2 O8\n1.0\n4.606885 0.000000 0.000000\n-0.000000 6.301021 0.000000\n0.000000 0.000000 6.426550\nLi Al O\n10 2 8\ndirect\n0.745976 0.488930 0.446895 Li\n0.791722 0.250000 0.750000 Li\n0.745976 0.488930 0.053105 Li\n0.745976 0.011070 0.446895 Li\n0.254023 0.988929 0.946895 Li\n0.208277 0.750000 0.250000 Li\n0.254023 0.511070 0.946895 Li\n0.254023 0.988929 0.553105 Li\n0.745976 0.011070 0.053105 Li\n0.254023 0.511070 0.553105 Li\n0.225696 0.250000 0.250000 Al\n0.774303 0.750000 0.750000 Al\n0.014662 0.250000 0.483405 O\n0.014662 0.250000 0.016595 O\n0.566908 0.987671 0.750000 O\n0.566908 0.512329 0.750000 O\n0.433091 0.487671 0.250000 O\n0.433091 0.012329 0.250000 O\n0.985337 0.750000 0.983405 O\n0.985337 0.750000 0.516596 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Li10 Al2 O8",
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},
{
"id": "jvasp-46644",
"created_at": "2022-09-04T14:38:00.160623Z",
"updated_at": "2022-09-04T14:38:00.160633Z",
"structure_string": "Li14 Mn2 O9\n1.0\n2.903684 -5.029327 0.000000\n2.903684 5.029327 -0.000000\n-0.000000 -0.000000 7.984642\nLi Mn O\n14 2 9\ndirect\n0.358589 0.297348 0.094730 Li\n0.641410 0.702650 0.905269 Li\n0.312329 0.373779 0.585681 Li\n0.061239 0.358589 0.905269 Li\n0.297348 0.938760 0.905269 Li\n0.938549 0.312328 0.414318 Li\n0.061450 0.687670 0.585681 Li\n0.626219 0.938548 0.585681 Li\n0.938760 0.641410 0.094730 Li\n0.000000 0.000000 0.260323 Li\n0.000000 0.000000 0.739676 Li\n0.687670 0.626219 0.414318 Li\n0.373780 0.061450 0.414318 Li\n0.702651 0.061239 0.094730 Li\n0.666666 0.333332 0.747036 Mn\n0.333332 0.666666 0.252963 Mn\n0.333332 0.666666 0.005660 O\n0.979642 0.310727 0.658609 O\n0.020356 0.689272 0.341391 O\n0.331084 0.020356 0.658609 O\n0.666666 0.333332 0.994340 O\n0.689271 0.668915 0.658609 O\n0.310728 0.331084 0.341391 O\n0.000000 0.000000 0.000000 O\n0.668915 0.979642 0.341391 O\n",
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"formula_full": "Li14 Mn2 O9",
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{
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"created_at": "2022-09-04T14:36:55.115577Z",
"updated_at": "2022-09-04T14:36:55.115587Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n2.801688 -4.889726 0.006434\n2.833784 4.908256 -0.000000\n2.829263 1.638696 4.733257\nLi Co Ni O\n2 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n-0.000001 0.500000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.000000 0.000000 Ni\n0.269317 0.032717 0.203883 O\n0.268203 0.532594 0.203016 O\n0.759450 0.024960 0.209859 O\n0.759449 0.524629 0.209859 O\n0.240550 0.475370 0.790140 O\n0.240549 0.975039 0.790140 O\n0.731796 0.467406 0.796983 O\n0.730682 0.967283 0.796117 O\n",
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{
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"created_at": "2022-09-04T14:38:14.529326Z",
"updated_at": "2022-09-04T14:38:14.529350Z",
"structure_string": "Li2 Cu1 O2\n1.0\n3.413523 -0.017908 0.728789\n2.236942 2.578479 0.728789\n-0.017502 -0.007931 5.271903\nLi Cu O\n2 1 2\ndirect\n0.827719 0.827720 0.645148 Li\n0.172280 0.172280 0.354852 Li\n0.499999 0.500000 0.000000 Cu\n0.892742 0.892742 0.258517 O\n0.107257 0.107257 0.741483 O\n",
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}
]
}