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{
"id": "jvasp-44719",
"created_at": "2022-09-04T14:38:11.669969Z",
"updated_at": "2022-09-04T14:38:11.669986Z",
"structure_string": "Li4 Mn3 W1 O8\n1.0\n10.253169 -0.133538 -0.081696\n8.497156 5.739656 -0.081696\n13.623740 4.073331 2.492014\nLi Mn W O\n4 3 1 8\ndirect\n0.000001 0.000000 0.499999 Li\n0.000001 0.500001 0.499999 Li\n0.500001 0.000001 0.499999 Li\n0.500002 0.500002 0.499998 Li\n0.000000 0.500001 -0.000001 Mn\n0.500001 0.000000 -0.000001 Mn\n0.500001 0.500001 -0.000001 Mn\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.263188 O\n0.000001 0.541364 0.225191 O\n0.541364 0.000001 0.225191 O\n0.000001 0.000001 0.736810 O\n0.458638 0.458638 0.307917 O\n0.000001 0.458638 0.774806 O\n0.458639 0.000001 0.774806 O\n0.541365 0.541365 0.692079 O\n",
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"elements": [
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"volume_molar": 5.894287212077172,
"formula_full": "Li4 Mn3 W1 O8",
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{
"id": "jvasp-48574",
"created_at": "2022-09-04T14:37:05.976394Z",
"updated_at": "2022-09-04T14:37:05.976405Z",
"structure_string": "Li3 Mn1 V3 O8\n1.0\n-2.807310 1.752410 4.748926\n0.000107 -3.309370 4.748926\n2.949731 1.636010 4.667859\nLi Mn V O\n3 1 3 8\ndirect\n0.500003 0.999998 0.500002 Li\n0.999998 0.500004 0.500002 Li\n-0.000001 -0.000001 0.500007 Li\n0.500006 0.500007 0.499981 Mn\n0.499995 0.499996 0.000004 V\n0.499995 0.000004 0.000005 V\n0.000004 0.499995 0.000005 V\n0.739652 0.739652 0.247589 O\n0.739655 0.273104 0.247588 O\n0.273104 0.739655 0.247588 O\n0.253689 0.253689 0.238932 O\n0.746305 0.746306 0.761084 O\n0.726889 0.260355 0.752398 O\n0.260355 0.726889 0.752398 O\n0.260357 0.260357 0.752397 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Li-Mn-O-V",
"density": 4.351145103235033,
"density_atomic": 0.11022696256883431,
"volume": 136.08285713790607,
"volume_molar": 5.463400804716274,
"formula_full": "Li3 Mn1 V3 O8",
"formula_reduced": "Li3MnV3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.049893189425288,
"spacegroup": 166
},
{
"id": "jvasp-116856",
"created_at": "2022-09-04T14:38:49.921689Z",
"updated_at": "2022-09-04T14:38:49.921710Z",
"structure_string": "Li6 Mn3 V3 O12\n1.0\n4.872500 -0.001871 -1.530276\n-0.105468 5.841632 -0.871363\n0.015254 -0.007326 7.542456\nLi Mn V O\n6 3 3 12\ndirect\n0.002639 0.589065 0.839098 Li\n0.004588 0.758476 0.509370 Li\n-0.005175 0.084461 0.827326 Li\n0.997360 0.410934 0.160902 Li\n0.005174 0.915538 0.172675 Li\n0.995411 0.241523 0.490630 Li\n0.489647 0.321647 0.837686 Mn\n0.510352 0.678352 0.162314 Mn\n0.499999 0.500000 0.500000 Mn\n0.489047 0.157477 0.157005 V\n0.500000 -0.000000 0.500000 V\n0.510952 0.842522 0.842995 V\n0.285779 0.551897 0.680719 O\n0.738062 0.120538 0.995327 O\n0.749305 0.635572 0.008201 O\n0.741644 0.967705 0.341624 O\n0.714220 0.448102 0.319281 O\n0.743728 0.803064 0.671676 O\n0.712700 0.282468 0.657254 O\n0.250694 0.364427 0.991799 O\n0.261936 0.879461 0.004673 O\n0.287298 0.717531 0.342746 O\n0.256270 0.196935 0.328325 O\n0.258355 0.032294 0.658376 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Li-Mn-O-V",
"density": 4.261995236314333,
"density_atomic": 0.11173902769477563,
"volume": 214.7861897058741,
"volume_molar": 5.389469448803488,
"formula_full": "Li6 Mn3 V3 O12",
"formula_reduced": "Li2MnVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5782244301724138,
"spacegroup": 2
},
{
"id": "jvasp-43069",
"created_at": "2022-09-04T14:38:07.260036Z",
"updated_at": "2022-09-04T14:38:07.260066Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n5.956116 0.000000 0.000000\n0.000000 5.956116 0.000000\n0.000000 -0.000000 8.189684\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.244467 0.000000 Li\n0.000000 0.755534 0.500000 Li\n0.244467 0.000000 0.250000 Li\n0.755534 0.000000 0.750000 Li\n0.253908 0.253908 0.625000 Mn\n0.253908 0.746093 0.875000 Mn\n0.746093 0.253908 0.375000 Mn\n0.746093 0.746093 0.125000 Mn\n0.777070 0.500000 0.750000 V\n0.500000 0.777070 0.500000 V\n0.500000 0.222931 0.000000 V\n0.222931 0.500000 0.250000 V\n0.730306 0.969392 0.492465 O\n0.730306 0.030609 0.007534 O\n0.731601 0.486638 0.979448 O\n0.731601 0.513363 0.520552 O\n0.513363 0.731601 0.729448 O\n0.513363 0.268399 0.770551 O\n0.486638 0.731601 0.270552 O\n0.030609 0.730306 0.242465 O\n0.268399 0.513363 0.479448 O\n0.268399 0.486638 0.020552 O\n0.269695 0.969392 0.507534 O\n0.269695 0.030609 0.992465 O\n0.969392 0.269695 0.742465 O\n0.030609 0.269695 0.257534 O\n0.486638 0.268399 0.229448 O\n0.969392 0.730306 0.757534 O\n",
"nsites": 28,
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"elements": [
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"density_atomic": 0.09637504454555883,
"volume": 290.5316426262581,
"volume_molar": 6.248651596890508,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 95
},
{
"id": "jvasp-44753",
"created_at": "2022-09-04T14:38:12.578706Z",
"updated_at": "2022-09-04T14:38:12.578725Z",
"structure_string": "Li5 Mn2 V3 O10\n1.0\n4.948334 0.017368 -0.057490\n-1.036444 4.916303 -0.030476\n-1.810784 -2.492769 7.201900\nLi Mn V O\n5 2 3 10\ndirect\n0.213079 0.928005 0.419593 Li\n0.389379 0.284391 0.766339 Li\n0.500000 0.500000 0.500000 Li\n0.610621 0.715608 0.233661 Li\n0.786922 0.071995 0.580406 Li\n0.108471 0.697505 0.687942 Mn\n0.891530 0.302495 0.312058 Mn\n0.259539 0.080349 0.087301 V\n0.000000 0.500000 -0.000000 V\n0.740461 0.919650 0.912698 V\n0.659568 0.285937 0.055872 O\n0.059744 0.122519 0.846738 O\n0.340432 0.714062 0.944128 O\n0.134728 0.300139 0.536541 O\n0.233343 0.465922 0.233355 O\n0.460350 0.908246 0.671262 O\n0.539651 0.091754 0.328738 O\n0.766658 0.534077 0.766644 O\n0.865273 0.699861 0.463459 O\n0.940256 0.877480 0.153261 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Mn-O-V",
"density": 4.35763527740829,
"density_atomic": 0.11474559052561961,
"volume": 174.29863673527862,
"volume_molar": 5.248254623479773,
"formula_full": "Li5 Mn2 V3 O10",
"formula_reduced": "Li5Mn2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.994666104137931,
"spacegroup": 2
},
{
"id": "jvasp-45084",
"created_at": "2022-09-04T14:38:12.785434Z",
"updated_at": "2022-09-04T14:38:12.785465Z",
"structure_string": "Li3 Mn4 V1 O8\n1.0\n-0.150250 2.957303 -5.215059\n1.499174 -2.553565 -5.215059\n-5.210916 1.442627 -2.778910\nLi Mn V O\n3 4 1 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.499999 0.500001 0.500001 Li\n-0.000000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000001 0.500000 0.000001 Mn\n0.499999 0.500001 0.000001 V\n0.479203 0.265059 0.785857 O\n0.999035 0.235380 0.743564 O\n0.491815 0.742599 0.743565 O\n0.981563 0.741895 0.760330 O\n0.018435 0.258106 0.239672 O\n0.508184 0.257402 0.256437 O\n0.000963 0.764622 0.256437 O\n0.520796 0.734942 0.214145 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Mn-O-V",
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"density_atomic": 0.10766869255427217,
"volume": 148.60401496874255,
"volume_molar": 5.593214347768217,
"formula_full": "Li3 Mn4 V1 O8",
"formula_reduced": "Li3Mn4VO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.205661322844828,
"spacegroup": 12
},
{
"id": "jvasp-42989",
"created_at": "2022-09-04T14:38:13.040213Z",
"updated_at": "2022-09-04T14:38:13.040233Z",
"structure_string": "Li2 Mn1 V3 O8\n1.0\n5.881310 0.055168 0.039009\n2.988431 5.065779 0.039009\n2.988431 1.725372 4.763060\nLi Mn V O\n2 1 3 8\ndirect\n0.127050 0.127050 0.127050 Li\n0.872949 0.872950 0.872950 Li\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.260625 0.260626 0.260626 O\n0.262837 0.262837 0.716270 O\n0.262837 0.716270 0.262837 O\n0.716270 0.262837 0.262837 O\n0.283731 0.737163 0.737163 O\n0.737163 0.283731 0.737163 O\n0.737162 0.737163 0.283731 O\n0.739374 0.739374 0.739375 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Li-Mn-O-V",
"density": 4.136917224231878,
"density_atomic": 0.09975506927441331,
"volume": 140.3437449528285,
"volume_molar": 6.036927049224807,
"formula_full": "Li2 Mn1 V3 O8",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.182679845812808,
"spacegroup": 166
},
{
"id": "jvasp-40688",
"created_at": "2022-09-04T14:37:59.063689Z",
"updated_at": "2022-09-04T14:37:59.063735Z",
"structure_string": "Li3 Mn1 V3 O8\n1.0\n3.997977 -0.000100 0.000179\n-1.998907 5.977154 0.004453\n-0.000463 -1.905868 6.275021\nLi Mn V O\n3 1 3 8\ndirect\n0.937199 0.874394 0.638332 Li\n0.831153 0.662313 0.995266 Li\n0.061549 0.123093 0.363652 Li\n0.281929 0.563860 0.695892 Mn\n0.705161 0.410319 0.288205 V\n0.390111 0.780227 0.298242 V\n0.606848 0.213688 0.711817 V\n0.357359 0.714723 0.015023 O\n0.879981 0.759969 0.311311 O\n0.438393 0.876792 0.633977 O\n0.772361 0.544724 0.669172 O\n0.226997 0.453989 0.332750 O\n0.559993 0.119977 0.365605 O\n0.654671 0.309339 -0.000399 O\n0.109186 0.218367 0.675479 O\n",
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],
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"density_atomic": 0.10001030136199315,
"volume": 149.9845495486172,
"volume_molar": 6.021520461379781,
"formula_full": "Li3 Mn1 V3 O8",
"formula_reduced": "Li3MnV3O8",
"formula_anonymous": "AB3C3D8",
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"spacegroup": 8
},
{
"id": "jvasp-46741",
"created_at": "2022-09-04T14:38:00.248048Z",
"updated_at": "2022-09-04T14:38:00.248076Z",
"structure_string": "Li4 Mn2 V2 O8\n1.0\n5.993303 -0.427543 0.026304\n-0.061954 6.008215 0.026304\n-2.953064 -2.778469 4.045033\nLi Mn V O\n4 2 2 8\ndirect\n0.000000 0.500000 0.499999 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000001 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.500000 -0.000001 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.230144 0.769870 0.014401 O\n0.238029 0.244142 0.491147 O\n0.230130 0.769855 0.485596 O\n0.755857 0.761971 0.008850 O\n0.244142 0.238029 -0.008852 O\n0.769869 0.230144 0.514401 O\n0.761970 0.755858 0.508850 O\n0.769855 0.230130 0.985596 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Mn-O-V",
"density": 4.16591895030531,
"density_atomic": 0.10922014388850061,
"volume": 146.49312324962594,
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"formula_full": "Li4 Mn2 V2 O8",
"formula_reduced": "Li2MnVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5818394301724137,
"spacegroup": 74
},
{
"id": "jvasp-43165",
"created_at": "2022-09-04T14:36:58.892235Z",
"updated_at": "2022-09-04T14:36:58.892256Z",
"structure_string": "Li2 Mn1 V3 O8\n1.0\n5.923361 0.079085 0.055921\n3.030169 5.090239 0.055921\n3.030169 1.749469 4.780484\nLi Mn V O\n2 1 3 8\ndirect\n0.119764 0.119764 0.119764 Li\n0.502949 0.502948 0.502948 Li\n0.874303 0.874303 0.874301 Mn\n0.020203 0.490531 0.490530 V\n0.490531 0.020202 0.490530 V\n0.490531 0.490531 0.020202 V\n0.252848 0.252847 0.252847 O\n0.252708 0.252708 0.716865 O\n0.252708 0.716866 0.252707 O\n0.716866 0.252707 0.252707 O\n0.285470 0.751397 0.751396 O\n0.751398 0.285469 0.751396 O\n0.751397 0.751397 0.285469 O\n0.738332 0.738331 0.738330 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-V",
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"density_atomic": 0.09868875697359555,
"volume": 141.86013107598203,
"volume_molar": 6.102154839797243,
"formula_full": "Li2 Mn1 V3 O8",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.183357702955665,
"spacegroup": 160
},
{
"id": "jvasp-117063",
"created_at": "2022-09-04T14:38:46.035202Z",
"updated_at": "2022-09-04T14:38:46.035220Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.030797 -0.028690 -2.874912\n-3.318999 9.521115 -0.060554\n-0.026101 0.028898 5.794263\nLi Mn V O\n4 2 6 16\ndirect\n0.122106 0.183137 0.061046 Li\n0.130653 0.695951 0.565298 Li\n0.877896 0.316867 0.438955 Li\n0.869357 0.804055 0.934708 Li\n0.499998 0.250001 0.749998 Mn\n0.499994 0.749990 0.249997 Mn\n-0.012944 -0.002161 0.493547 V\n0.012945 0.502163 0.006452 V\n0.504271 -0.002152 0.493591 V\n0.504289 -0.002160 0.010763 V\n0.495712 0.502162 0.489237 V\n0.495729 0.502155 0.006411 V\n0.262465 0.625014 0.899828 O\n0.737787 0.381792 0.644007 O\n0.737589 0.875008 0.137408 O\n0.737777 0.381784 0.093752 O\n0.737527 0.874983 0.600161 O\n0.262220 0.118214 0.406246 O\n0.262210 0.118206 0.855993 O\n0.264010 0.896079 0.632054 O\n0.711983 0.118214 0.856001 O\n0.725173 0.625014 0.362549 O\n0.735991 0.603924 0.867948 O\n0.744235 0.116378 0.372132 O\n0.274845 0.874983 0.137461 O\n0.255766 0.383625 0.127869 O\n0.262403 0.624989 0.362597 O\n0.288018 0.381785 0.644000 O\n",
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],
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"density_atomic": 0.10124512126478749,
"volume": 276.5565357640423,
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"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-116768",
"created_at": "2022-09-04T14:38:45.509075Z",
"updated_at": "2022-09-04T14:38:45.509102Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.778700 0.000311 -0.000032\n2.889117 4.892008 -1.668965\n0.000091 0.001266 10.009169\nLi Mn V O\n4 2 6 16\ndirect\n0.320251 0.359536 0.559925 Li\n0.820211 0.359535 0.059925 Li\n0.745697 0.508695 0.751444 Li\n0.245610 0.508695 0.251441 Li\n0.188609 0.622792 0.937137 Mn\n0.688603 0.622791 0.437136 Mn\n0.499341 0.001281 0.010198 V\n0.734438 0.001261 0.245195 V\n0.264373 0.001333 0.245250 V\n0.234308 0.001329 0.745239 V\n0.764312 0.001263 0.745207 V\n-0.000642 0.001281 0.510199 V\n0.120977 0.222210 0.626344 O\n0.338945 0.788252 0.375727 O\n0.838942 0.788301 0.875740 O\n0.872756 0.788303 0.375741 O\n0.372805 0.788254 0.875728 O\n0.620932 0.222232 0.126355 O\n0.156807 0.222212 0.126347 O\n0.620807 0.758407 0.126396 O\n0.388877 0.222240 0.358420 O\n0.888885 0.222238 0.858419 O\n0.892420 0.215209 0.369204 O\n0.392367 0.215209 0.869204 O\n0.605869 0.788265 0.642665 O\n0.120789 0.758407 0.626395 O\n0.656830 0.222233 0.626358 O\n0.105872 0.788265 0.142665 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-V",
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"density_atomic": 0.09895500504287365,
"volume": 282.9568851809831,
"volume_molar": 6.0857363984679935,
"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1822319886699506,
"spacegroup": 160
}
]
}