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{
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"results": [
{
"id": "mp-776556",
"created_at": "2022-09-04T14:45:36.903904Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n6.929624 0.000000 0.000000\n-3.293548 6.522161 0.000000\n-0.479628 -0.388309 8.067662\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.074497 0.822857 0.676884 Li\n0.428817 0.173536 0.825271 Li\n0.571183 0.826464 0.174729 Li\n0.925503 0.177143 0.323116 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.482925 0.766609 0.843938 P\n0.018588 0.231173 0.655282 P\n0.981412 0.768827 0.344718 P\n0.517075 0.233391 0.156062 P\n0.790134 0.654916 0.853500 H\n0.287851 0.667410 0.351407 H\n0.712149 0.332590 0.648593 H\n0.209866 0.345084 0.146500 H\n0.337296 0.655516 0.984329 O\n0.111278 0.118184 0.774408 O\n0.383396 0.879697 0.736091 O\n0.695869 0.930032 0.938014 O\n0.184955 0.931004 0.447981 O\n0.539283 0.620542 0.737843 O\n0.180643 0.341883 0.522425 O\n0.038430 0.619074 0.248283 O\n0.945023 0.719942 0.896799 O\n0.443059 0.731509 0.395919 O\n0.556941 0.268491 0.604081 O\n0.054977 0.280058 0.103201 O\n0.961570 0.380926 0.751717 O\n0.819357 0.658117 0.477575 O\n0.460717 0.379458 0.262157 O\n0.815045 0.068996 0.552019 O\n0.304131 0.069968 0.061986 O\n0.616604 0.120303 0.263909 O\n0.888722 0.881816 0.225592 O\n0.662704 0.344484 0.015671 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
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"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1306440210689517,
"density_atomic": 0.09873101918370172,
"volume": 364.62704728103114,
"volume_molar": 6.099542787859847,
"formula_full": "Li4 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -264.88926975000004,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -244.41326975,
"band_gap": 0.7447999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.806000Z",
"spacegroup": 2
},
{
"id": "mp-849682",
"created_at": "2022-09-04T14:47:32.939011Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.435882 0.000000 0.000000\n1.891777 9.999378 0.000000\n1.233157 1.715531 10.100622\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.207697 0.191540 0.365662 Li\n0.125465 0.475416 0.300946 Li\n0.458370 0.143611 0.966174 Li\n0.542427 0.855924 0.034198 Li\n0.875935 0.524903 0.698639 Li\n0.790521 0.808855 0.633703 Li\n0.168036 0.832356 0.332559 Mn\n0.333563 0.666432 0.667674 Mn\n0.667105 0.333486 0.333090 Mn\n0.500259 0.499965 0.000334 V\n0.829805 0.168318 0.666141 V\n0.999215 0.000178 0.000301 V\n0.060805 0.303754 0.070819 P\n0.271173 0.363244 0.595422 P\n0.605460 0.028823 0.262675 P\n0.391053 0.970531 0.738069 P\n0.731423 0.637903 0.404241 P\n0.938790 0.696118 0.928977 P\n0.174149 0.766207 0.105425 H\n0.163838 0.897119 0.563256 H\n0.496968 0.564480 0.230269 H\n0.503034 0.435990 0.770557 H\n0.836488 0.102208 0.436357 H\n0.825856 0.233320 0.894379 H\n0.108336 0.148438 0.074640 O\n0.014167 0.336365 0.213614 O\n0.023070 0.318839 0.665298 O\n0.166863 0.036293 0.654815 O\n0.164405 0.630303 0.011379 O\n0.310302 0.347935 0.000915 O\n0.195576 0.854216 0.127247 O\n0.336592 0.003906 0.881901 O\n0.320053 0.329370 0.452982 O\n0.224622 0.518792 0.591125 O\n0.142264 0.808443 0.542323 O\n0.551471 0.184530 0.257175 O\n0.473788 0.476640 0.207502 O\n0.497034 0.297872 0.678107 O\n0.350198 0.984089 0.327268 O\n0.640064 0.015131 0.670533 O\n0.512063 0.700339 0.318980 O\n0.526816 0.523706 0.792587 O\n0.441026 0.814845 0.744048 O\n0.860204 0.190152 0.458475 O\n0.783453 0.481842 0.408753 O\n0.681951 0.671105 0.546207 O\n0.662682 0.996100 0.118787 O\n0.805839 0.145901 0.871361 O\n0.689268 0.652090 0.999306 O\n0.835185 0.369641 0.988779 O\n0.823468 0.965750 0.348223 O\n0.986194 0.681824 0.336128 O\n0.984573 0.663198 0.786763 O\n0.891041 0.851666 0.924916 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1187653609811505,
"density_atomic": 0.0983564022649104,
"volume": 549.0237417850839,
"volume_molar": 6.122774543725313,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.24084626,
"energy_per_atom": -7.356311967777778,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -366.52684626,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 17.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.281000Z",
"spacegroup": 1
},
{
"id": "mp-776482",
"created_at": "2022-09-04T14:40:54.210714Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.435069 0.000000 0.000000\n1.873838 9.925222 0.000000\n1.143617 1.676702 10.149127\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.206818 0.191746 0.362540 Li\n0.127065 0.474769 0.300663 Li\n0.463828 0.143676 0.966555 Li\n0.536172 0.856324 0.033445 Li\n0.872935 0.525231 0.699337 Li\n0.793182 0.808254 0.637460 Li\n0.332593 0.666327 0.665219 Mn\n0.667407 0.333673 0.334781 Mn\n0.500000 0.500000 0.000000 Mn\n0.171309 0.831070 0.333480 V\n0.828691 0.168930 0.666520 V\n0.000000 0.000000 0.000000 V\n0.065804 0.304622 0.070116 P\n0.269045 0.364331 0.595330 P\n0.612021 0.031376 0.261937 P\n0.387979 0.968624 0.738063 P\n0.730955 0.635669 0.404670 P\n0.934196 0.695378 0.929884 P\n0.173402 0.764956 0.105459 H\n0.165349 0.897907 0.562750 H\n0.500682 0.562986 0.232045 H\n0.499318 0.437014 0.767955 H\n0.834651 0.102093 0.437250 H\n0.826598 0.235044 0.894541 H\n0.117493 0.147604 0.073356 O\n0.021274 0.336590 0.211759 O\n0.022855 0.321635 0.667369 O\n0.159627 0.035187 0.656276 O\n0.156605 0.631018 0.014969 O\n0.320168 0.348220 0.000896 O\n0.193827 0.853615 0.128932 O\n0.335220 0.000496 0.882280 O\n0.313111 0.330146 0.454502 O\n0.224798 0.522256 0.590150 O\n0.140239 0.809829 0.540314 O\n0.563514 0.188490 0.257661 O\n0.477000 0.474284 0.210365 O\n0.499088 0.299483 0.677603 O\n0.364775 0.986268 0.328940 O\n0.635225 0.013732 0.671060 O\n0.500912 0.700517 0.322397 O\n0.523000 0.525716 0.789635 O\n0.436486 0.811510 0.742339 O\n0.859761 0.190171 0.459686 O\n0.775202 0.477744 0.409850 O\n0.686889 0.669854 0.545498 O\n0.664780 0.999504 0.117720 O\n0.806173 0.146385 0.871068 O\n0.679832 0.651780 0.999104 O\n0.843395 0.368982 0.985031 O\n0.840373 0.964813 0.343724 O\n0.977145 0.678365 0.332631 O\n0.978726 0.663410 0.788241 O\n0.882507 0.852396 0.926644 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.127518222723946,
"density_atomic": 0.09863244098244724,
"volume": 547.4872107201516,
"volume_molar": 6.1056389764009875,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.46682406,
"energy_per_atom": -7.360496741851852,
"energy_above_hull": null,
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"energy_uncorrected": -366.75282406,
"band_gap": 0.2440999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.658000Z",
"spacegroup": 2
},
{
"id": "mp-760158",
"created_at": "2022-09-04T14:46:05.467317Z",
"structure_string": "Li3 Mn3 V3 P6 H6 O30\n1.0\n5.238221 0.000000 0.000000\n-1.746962 7.139120 0.000000\n-0.719059 -0.670805 14.407123\nLi Mn V P H O\n3 3 3 6 6 30\ndirect\n0.259191 0.035336 0.185529 Li\n0.406680 0.630649 0.480406 Li\n0.741724 0.962796 0.814015 Li\n0.999754 0.999715 0.999741 Mn\n0.333023 0.333017 0.332932 Mn\n0.664148 0.663312 0.666597 Mn\n0.664774 0.659986 0.166049 V\n0.002231 0.005594 0.499986 V\n0.335339 0.338556 0.833218 V\n0.595118 0.265434 0.041451 P\n0.741059 0.058888 0.291059 P\n0.925072 0.606519 0.375174 P\n0.070922 0.399289 0.624477 P\n0.259237 0.939723 0.708087 P\n0.404116 0.733159 0.958176 P\n0.102385 0.747023 0.094727 H\n0.214838 0.564479 0.231059 H\n0.451527 0.102435 0.435887 H\n0.562500 0.916478 0.572063 H\n0.783866 0.432686 0.768831 H\n0.896862 0.252245 0.905000 H\n0.771086 0.128927 0.058982 O\n0.321441 0.184847 0.074051 O\n0.405633 0.688454 0.063516 O\n0.725931 0.452275 0.099748 O\n0.020092 0.128803 0.262137 O\n0.977132 0.825307 0.108860 O\n0.569207 0.200096 0.272889 O\n0.367697 0.506616 0.229452 O\n0.735321 0.016204 0.397126 O\n0.593326 0.880117 0.230541 O\n0.930514 0.649152 0.269467 O\n0.297632 0.159228 0.436739 O\n0.097191 0.465670 0.393469 O\n0.646099 0.536570 0.404478 O\n0.072852 0.785596 0.436028 O\n0.937094 0.212018 0.566800 O\n0.343462 0.478892 0.590797 O\n0.899790 0.539114 0.608257 O\n0.687446 0.837421 0.558148 O\n0.074717 0.353503 0.729660 O\n0.405042 0.117626 0.769439 O\n0.267992 0.981946 0.602258 O\n0.630245 0.489366 0.770421 O\n0.433254 0.799491 0.726972 O\n0.021419 0.173692 0.890559 O\n0.978569 0.870289 0.735948 O\n0.273666 0.546505 0.900055 O\n0.593658 0.310443 0.936305 O\n0.678247 0.814172 0.925819 O\n0.228538 0.870043 0.940847 O\n",
"nsites": 51,
"nelements": 6,
"elements": [
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"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.113925634120098,
"density_atomic": 0.09465954505011466,
"volume": 538.7729253610883,
"volume_molar": 6.361894890591073,
"formula_full": "Li3 Mn3 V3 P6 H6 O30",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -380.70865497,
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"energy_above_hull": null,
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"energy_uncorrected": -349.99465497,
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"updated_at": "2021-11-28T01:37:19.418000Z",
"spacegroup": 1
},
{
"id": "mp-759379",
"created_at": "2022-09-04T14:45:57.880007Z",
"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n-6.785674 0.000000 0.000000\n0.144185 7.430715 0.000000\n-0.002192 -3.560382 -7.153200\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.173339 0.616828 0.761668 Li\n0.826661 0.383172 0.238332 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.254899 0.749560 0.249998 V\n0.745101 0.250440 0.750002 V\n0.600351 0.725206 0.951078 P\n0.099663 0.223163 0.454418 P\n0.900337 0.776837 0.545582 P\n0.399649 0.274794 0.048922 P\n0.035241 0.319415 0.974891 H\n0.516072 0.833930 0.497434 H\n0.483928 0.166070 0.502566 H\n0.964759 0.680585 0.025109 H\n0.044465 0.820562 0.704708 O\n0.008098 0.708716 0.353308 O\n0.453285 0.665943 0.790979 O\n0.731047 0.905723 0.972249 O\n0.087794 0.761794 0.040246 O\n0.231222 0.411556 0.489634 O\n0.410329 0.729197 0.444958 O\n0.738683 0.546716 0.922661 O\n0.514151 0.212875 0.861650 O\n0.762976 0.955917 0.581097 O\n0.237024 0.044083 0.418903 O\n0.485849 0.787125 0.138350 O\n0.261317 0.453284 0.077339 O\n0.589671 0.270803 0.555042 O\n0.768778 0.588444 0.510366 O\n0.912206 0.238206 0.959754 O\n0.268953 0.094277 0.027751 O\n0.546715 0.334057 0.209021 O\n0.991902 0.291284 0.646692 O\n0.955535 0.179438 0.295292 O\n",
"nsites": 34,
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"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.100978657109271,
"density_atomic": 0.09426597272449759,
"volume": 360.68158018555266,
"volume_molar": 6.388456604166545,
"formula_full": "Li2 Mn2 V2 P4 H4 O20",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -253.73950387,
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"updated_at": "2021-11-28T01:37:13.540000Z",
"spacegroup": 2
},
{
"id": "mp-849542",
"created_at": "2022-09-04T14:43:18.942413Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n5.397578 0.000000 0.000000\n-2.067432 7.177821 0.000000\n-1.801904 -3.253313 9.587879\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.475934 0.051790 0.873902 Li\n0.974701 0.540736 0.372487 Li\n0.025299 0.459264 0.627513 Li\n0.524066 0.948210 0.126098 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.473514 0.605332 0.841050 P\n0.024882 0.886411 0.657497 P\n0.975118 0.113589 0.342503 P\n0.526486 0.394668 0.158950 P\n0.612802 0.327511 0.678337 H\n0.117587 0.845383 0.179086 H\n0.882413 0.154617 0.820914 H\n0.387198 0.672489 0.321663 H\n0.867577 0.187414 0.917012 O\n0.367848 0.712995 0.417765 O\n0.647716 0.477101 0.860370 O\n0.309147 0.998008 0.646698 O\n0.171417 0.000443 0.371762 O\n0.815363 0.488836 0.145655 O\n0.422890 0.613561 0.691437 O\n0.607401 0.820446 0.947269 O\n0.925586 0.109276 0.189257 O\n0.082316 0.325761 0.443032 O\n0.917684 0.674239 0.556968 O\n0.074414 0.890724 0.810743 O\n0.392599 0.179554 0.052731 O\n0.577110 0.386439 0.308563 O\n0.184637 0.511164 0.854345 O\n0.828583 0.999557 0.628238 O\n0.690853 0.001992 0.353302 O\n0.352284 0.522899 0.139630 O\n0.632152 0.287005 0.582235 O\n0.132423 0.812586 0.082988 O\n",
"nsites": 36,
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"elements": [
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"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
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"volume": 371.4617456190595,
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"formula_full": "Li4 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -264.65289725,
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"updated_at": "2021-11-28T01:36:06.635000Z",
"spacegroup": 2
},
{
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{
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{
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{
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{
"id": "mp-759828",
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"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n5.244304 0.000000 0.000000\n-1.769565 7.135617 0.000000\n-1.639813 -2.809907 9.588546\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.353902 0.129233 0.278669 Li\n0.646098 0.870767 0.721331 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.748290 0.743450 0.249869 V\n0.251710 0.256550 0.750131 V\n0.617579 0.287582 0.062423 P\n0.887902 0.204569 0.436603 P\n0.112098 0.795431 0.563397 P\n0.382421 0.712418 0.937577 P\n0.150362 0.794938 0.141517 H\n0.328925 0.679033 0.346953 H\n0.671075 0.320967 0.653047 H\n0.849638 0.205062 0.858483 H\n0.801495 0.159145 0.088751 O\n0.359530 0.222936 0.111505 O\n0.436455 0.720047 0.095446 O\n0.776936 0.503583 0.149875 O\n0.154026 0.259946 0.393593 O\n0.032364 0.880611 0.163141 O\n0.707425 0.336077 0.408596 O\n0.481425 0.620634 0.344600 O\n0.289062 0.005100 0.654169 O\n0.065450 0.784540 0.404334 O\n0.934550 0.215460 0.595666 O\n0.710938 0.994900 0.345831 O\n0.518575 0.379366 0.655400 O\n0.292575 0.663923 0.591404 O\n0.967636 0.119389 0.836859 O\n0.845974 0.740054 0.606407 O\n0.223064 0.496417 0.850125 O\n0.563545 0.279953 0.904554 O\n0.640470 0.777064 0.888495 O\n0.198505 0.840855 0.911249 O\n",
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{
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}
]
}