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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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{
"id": "jvasp-11776",
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"updated_at": "2022-09-04T14:37:08.715301Z",
"structure_string": "Li2 Mn2 V2 O8\n1.0\n5.189166 0.034760 0.000000\n-2.012398 4.783190 0.000000\n0.000000 -0.000000 6.298704\nLi Mn V O\n2 2 2 8\ndirect\n0.664490 0.335510 0.750000 Li\n0.335511 0.664489 0.250001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.355112 0.644888 0.750000 V\n0.644888 0.355113 0.250001 V\n0.276020 0.240027 0.250001 O\n0.239397 0.760603 0.526425 O\n0.760605 0.239396 0.026426 O\n0.760605 0.239396 0.473573 O\n0.723978 0.759972 0.750000 O\n0.239397 0.760603 0.973574 O\n0.240026 0.276020 0.750000 O\n0.759972 0.723979 0.250001 O\n",
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"density_atomic": 0.08929752329319036,
"volume": 156.77926423596128,
"volume_molar": 6.743905696272804,
"formula_full": "Li2 Mn2 V2 O8",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-43199",
"created_at": "2022-09-04T14:37:46.393527Z",
"updated_at": "2022-09-04T14:37:46.393550Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n4.931920 0.000000 0.000000\n-0.000000 6.162467 0.000000\n0.000000 0.000000 10.478681\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.977085 0.250000 0.728616 Mn\n0.522915 0.250000 0.228616 Mn\n0.477085 0.750000 0.771384 Mn\n0.022915 0.750000 0.271384 Mn\n0.574641 0.750000 0.088977 V\n0.925360 0.750000 0.588977 V\n0.074641 0.250000 0.411023 V\n0.425360 0.250000 0.911022 V\n0.220497 0.750000 0.093990 O\n0.279503 0.750000 0.593990 O\n0.709639 0.750000 0.936083 O\n0.790361 0.750000 0.436083 O\n0.775078 0.526079 0.664034 O\n0.724922 0.526079 0.164034 O\n0.224922 0.473922 0.335966 O\n0.224922 0.026079 0.335966 O\n0.290361 0.250000 0.063917 O\n0.720497 0.250000 0.406009 O\n0.779503 0.250000 0.906009 O\n0.209639 0.250000 0.563917 O\n0.775078 0.973922 0.664034 O\n0.275078 0.026079 0.835966 O\n0.275078 0.473922 0.835966 O\n0.724922 0.973922 0.164034 O\n",
"nsites": 28,
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"density_atomic": 0.08791860365802655,
"volume": 318.4763956091759,
"volume_molar": 6.849677439628225,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7634236344827587,
"spacegroup": 62
},
{
"id": "jvasp-44527",
"created_at": "2022-09-04T14:38:10.113543Z",
"updated_at": "2022-09-04T14:38:10.113572Z",
"structure_string": "Li2 Mn3 V1 O8\n1.0\n5.758471 -0.005239 -0.003705\n2.874698 4.989602 -0.003705\n2.874698 1.659708 4.705477\nLi Mn V O\n2 3 1 8\ndirect\n0.122941 0.122941 0.122942 Li\n0.877058 0.877058 0.877061 Li\n-0.000000 0.500000 0.500001 Mn\n0.500000 -0.000000 0.500001 Mn\n0.500000 0.499999 0.000001 Mn\n0.500000 0.499999 0.500001 V\n0.262445 0.262445 0.262446 O\n0.258021 0.258021 0.715996 O\n0.258021 0.715995 0.258022 O\n0.715995 0.258020 0.258022 O\n0.284005 0.741979 0.741981 O\n0.741979 0.284004 0.741981 O\n0.741979 0.741978 0.284006 O\n0.737554 0.737554 0.737557 O\n",
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"density_atomic": 0.1034417927839553,
"volume": 135.34181517174477,
"volume_molar": 5.821767583415362,
"formula_full": "Li2 Mn3 V1 O8",
"formula_reduced": "Li2Mn3VO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"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,
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"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",
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"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",
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],
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"density_atomic": 0.10766869255427217,
"volume": 148.60401496874255,
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"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",
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"density_atomic": 0.09975506927441331,
"volume": 140.3437449528285,
"volume_molar": 6.036927049224807,
"formula_full": "Li2 Mn1 V3 O8",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"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",
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"density_atomic": 0.11022696256883431,
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"formula_full": "Li3 Mn1 V3 O8",
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},
{
"id": "jvasp-119543",
"created_at": "2022-09-04T14:38:35.264377Z",
"updated_at": "2022-09-04T14:38:35.264402Z",
"structure_string": "Li6 Mn4 V2 O12\n1.0\n2.838560 0.000004 -0.000001\n-0.000014 13.206079 3.046011\n0.000003 0.012037 5.789197\nLi Mn V O\n6 4 2 12\ndirect\n1.000001 0.666667 0.166667 Li\n0.500000 0.166666 0.166669 Li\n-0.000000 0.002093 0.489331 Li\n0.500000 0.502093 0.489331 Li\n-0.000000 0.331240 0.844006 Li\n0.500000 0.831241 0.844005 Li\n0.500001 0.507512 -0.004865 Mn\n0.500001 0.825822 0.338200 Mn\n0.000000 0.007511 -0.004865 Mn\n0.000000 0.325822 0.338201 Mn\n0.000000 0.666667 0.666667 V\n0.500000 0.166666 0.666669 V\n-0.000000 0.174265 0.899292 O\n-0.000000 0.507091 0.761529 O\n0.499999 0.007090 0.761529 O\n0.000000 0.826243 0.571807 O\n0.500000 0.326242 0.571808 O\n0.000001 0.829566 0.109296 O\n0.500001 0.329566 0.109297 O\n0.000000 0.503768 0.224040 O\n0.500000 0.003767 0.224040 O\n0.000000 0.159068 0.434046 O\n0.500000 0.659068 0.434044 O\n0.500000 0.674265 0.899291 O\n",
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"volume": 216.911196851348,
"volume_molar": 5.442790666078693,
"formula_full": "Li6 Mn4 V2 O12",
"formula_reduced": "Li3Mn2VO6",
"formula_anonymous": "AB2C3D6",
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"spacegroup": 12
},
{
"id": "jvasp-48391",
"created_at": "2022-09-04T14:36:00.339870Z",
"updated_at": "2022-09-04T14:36:00.339904Z",
"structure_string": "Li4 Mn1 V3 O8\n1.0\n5.870741 0.005424 -0.000624\n-0.006042 5.904894 -0.041132\n-2.931950 -2.960084 4.184767\nLi Mn V O\n4 1 3 8\ndirect\n0.501021 0.996018 0.493563 Li\n0.001060 0.996028 0.493550 Li\n0.501018 0.496025 0.993584 Li\n0.001000 0.496004 0.993544 Li\n0.000980 0.995978 0.993523 Mn\n0.500964 0.995949 0.993497 V\n0.001016 0.496002 0.493541 V\n0.500962 0.495992 0.493536 V\n0.261232 0.241531 0.008243 O\n0.755452 0.241579 0.008261 O\n0.755416 0.735695 0.502350 O\n0.255733 0.741288 0.502983 O\n0.746207 0.250707 0.484012 O\n0.246561 0.256258 0.484731 O\n0.246526 0.750371 0.978815 O\n0.740729 0.750417 0.978818 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.11084573196714276,
"volume": 144.34475478715564,
"volume_molar": 5.432902695599594,
"formula_full": "Li4 Mn1 V3 O8",
"formula_reduced": "Li4MnV3O8",
"formula_anonymous": "AB3C4D8",
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"spacegroup": 166
},
{
"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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],
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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-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",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.10124512126478749,
"volume": 276.5565357640423,
"volume_molar": 5.9480799516751315,
"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
}
]
}