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{
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{
"id": "mp-1360457",
"created_at": "2022-09-04T14:39:41.173907Z",
"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n5.338926 0.000000 0.000000\n-2.578259 6.877930 0.000000\n-0.918645 -3.558041 9.787536\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.562289 0.152077 0.782563 Li\n0.437711 0.847923 0.217437 Li\n0.999619 0.994145 0.747400 Mn\n0.000381 0.005855 0.252600 Mn\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.129354 0.775265 0.025674 P\n0.121520 0.768117 0.527185 P\n0.870646 0.224735 0.974326 P\n0.878480 0.231883 0.472815 P\n0.718906 0.657539 0.246068 H\n0.693494 0.660114 0.742741 H\n0.281094 0.342461 0.753932 H\n0.306506 0.339886 0.257259 H\n0.325524 0.277083 0.685638 O\n0.700630 0.357611 0.435718 O\n0.804312 0.619290 0.584798 O\n0.311603 0.284975 0.179246 O\n0.179031 0.925802 0.109720 O\n0.177884 0.931845 0.599006 O\n0.206618 0.864527 0.372833 O\n0.793382 0.135473 0.627167 O\n0.688951 0.343994 0.933071 O\n0.814063 0.624164 0.076245 O\n0.195688 0.380710 0.415202 O\n0.299370 0.642389 0.564282 O\n0.227751 0.891677 0.873574 O\n0.772249 0.108323 0.126426 O\n0.820969 0.074198 0.890280 O\n0.822116 0.068155 0.400994 O\n0.674476 0.722917 0.314362 O\n0.185937 0.375836 0.923755 O\n0.311049 0.656006 0.066929 O\n0.688397 0.715025 0.820754 O\n",
"nsites": 34,
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"elements": [
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"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1119865802926605,
"density_atomic": 0.09460060017644081,
"volume": 359.4057536272091,
"volume_molar": 6.365858936167453,
"formula_full": "Li2 Mn2 V2 P4 H4 O20",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -174.40674445999997,
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"energy_above_hull": null,
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"energy_uncorrected": -153.21474446,
"band_gap": 0.0990000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.780000Z",
"spacegroup": 2
},
{
"id": "mp-776451",
"created_at": "2022-09-04T14:42:42.940883Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.502256 0.000000 0.000000\n1.690129 9.999742 0.000000\n1.206576 1.577244 9.957425\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.866336 0.024292 0.196723 Li\n0.800423 0.311505 0.131468 Li\n0.133664 0.975708 0.803277 Li\n0.199577 0.688495 0.868532 Li\n0.537906 0.358688 0.529562 Li\n0.462094 0.641312 0.470438 Li\n0.837287 0.664174 0.165061 Mn\n0.000000 0.500000 0.500000 Mn\n0.162713 0.335826 0.834939 Mn\n0.336500 0.167329 0.164062 V\n0.500000 0.000000 0.500000 V\n0.663500 0.832671 0.835938 V\n0.729682 0.135873 0.900671 P\n0.948232 0.197209 0.429503 P\n0.270318 0.864127 0.099329 P\n0.051768 0.802791 0.570497 P\n0.406205 0.468580 0.234224 P\n0.593795 0.531420 0.765776 P\n0.830981 0.597212 0.939800 H\n0.835821 0.729736 0.393586 H\n0.169019 0.402788 0.060200 H\n0.164179 0.270264 0.606414 H\n0.504906 0.932192 0.270674 H\n0.495094 0.067808 0.729326 H\n0.778119 0.978982 0.908983 O\n0.672272 0.167539 0.047682 O\n0.700339 0.153171 0.494477 O\n0.831640 0.865246 0.487316 O\n0.807236 0.469074 0.852455 O\n0.985029 0.177512 0.839232 O\n0.855648 0.685513 0.965288 O\n0.999789 0.834225 0.717339 O\n0.000211 0.165775 0.282661 O\n0.900207 0.354495 0.424222 O\n0.813605 0.641399 0.369153 O\n0.221881 0.021018 0.091017 O\n0.144352 0.314487 0.034712 O\n0.168360 0.134754 0.512684 O\n0.014971 0.822488 0.160768 O\n0.299661 0.846829 0.505523 O\n0.192764 0.530926 0.147545 O\n0.186395 0.358601 0.630847 O\n0.099793 0.645505 0.575778 O\n0.521337 0.020764 0.297445 O\n0.451227 0.311405 0.240973 O\n0.358608 0.501475 0.379037 O\n0.327728 0.832461 0.952318 O\n0.478663 0.979236 0.702555 O\n0.339386 0.491593 0.833379 O\n0.518116 0.198443 0.813688 O\n0.481884 0.801557 0.186312 O\n0.660614 0.508407 0.166621 O\n0.641392 0.498525 0.620963 O\n0.548773 0.688595 0.759027 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1253394625488133,
"density_atomic": 0.09856372949330952,
"volume": 547.8688791262257,
"volume_molar": 6.10989538541029,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.30748996,
"energy_per_atom": -7.357546110370371,
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"energy_uncorrected": -366.59348996,
"band_gap": 0.2446999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.416000Z",
"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,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.0730418379636646,
"density_atomic": 0.09691442099913736,
"volume": 371.4617456190595,
"volume_molar": 6.213874775203584,
"formula_full": "Li4 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -264.65289725,
"energy_per_atom": -7.3514693680555565,
"energy_above_hull": null,
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"band_gap": 0.5762,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.635000Z",
"spacegroup": 2
},
{
"id": "mp-1177881",
"created_at": "2022-09-04T14:48:18.072185Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.473235 0.000000 0.000000\n-2.101104 7.012659 0.000000\n-0.892479 -1.354118 14.244397\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.688427 0.259129 0.081532 Li\n0.648722 0.072716 0.251440 Li\n0.351278 0.927284 0.748560 Li\n0.311573 0.740871 0.918468 Li\n0.019427 0.586588 0.416127 Li\n0.980573 0.413412 0.583873 Li\n0.832883 0.334308 0.833460 Mn\n0.500000 0.500000 0.500000 Mn\n0.167117 0.665692 0.166540 Mn\n0.831394 0.833444 0.833485 V\n0.500000 0.000000 0.500000 V\n0.168606 0.166556 0.166515 V\n0.642794 0.508423 0.275526 P\n0.691376 0.824697 0.058139 P\n0.308624 0.175303 0.941861 P\n0.357206 0.491577 0.724474 P\n0.972348 0.842834 0.606888 P\n0.027652 0.157166 0.393112 P\n0.776369 0.055699 0.713612 H\n0.554360 0.286830 0.619588 H\n0.223631 0.944301 0.286388 H\n0.445640 0.713170 0.380412 H\n0.111124 0.387084 0.045873 H\n0.888876 0.612916 0.954127 H\n0.694860 0.886600 0.956561 O\n0.790888 0.009347 0.128811 O\n0.796055 0.971868 0.591344 O\n0.739859 0.046647 0.398313 O\n0.732844 0.058115 0.780134 O\n0.598615 0.273088 0.933921 O\n0.544539 0.324379 0.203922 O\n0.638701 0.444656 0.376541 O\n0.601626 0.285732 0.553166 O\n0.209112 0.990653 0.871189 O\n0.305140 0.113400 0.043439 O\n0.267156 0.941885 0.219866 O\n0.519782 0.354980 0.736727 O\n0.480218 0.645020 0.263273 O\n0.260141 0.953353 0.601687 O\n0.401385 0.726912 0.066079 O\n0.203945 0.028132 0.408656 O\n0.146084 0.312018 0.929798 O\n0.398374 0.714268 0.446834 O\n0.361299 0.555344 0.623459 O\n0.455461 0.675621 0.796078 O\n0.068602 0.390576 0.112902 O\n0.035044 0.214135 0.290478 O\n0.107310 0.339418 0.462504 O\n0.066983 0.393706 0.732934 O\n0.931398 0.609424 0.887098 O\n0.933017 0.606294 0.267066 O\n0.853916 0.687982 0.070202 O\n0.892690 0.660582 0.537496 O\n0.964956 0.785865 0.709522 O\n",
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"elements": [
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],
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"density": 3.1318643363701946,
"density_atomic": 0.09876950422786719,
"volume": 546.7274582589657,
"volume_molar": 6.097166131467622,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.36139378,
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"energy_uncorrected": -366.64739378,
"band_gap": 0.916,
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"updated_at": "2021-11-28T01:38:46.445000Z",
"spacegroup": 2
},
{
"id": "mp-760055",
"created_at": "2022-09-04T14:44:23.712546Z",
"structure_string": "Li3 Mn3 V3 P6 H6 O30\n1.0\n-2.702379 5.089008 4.712959\n4.281315 9.277421 -4.874070\n-4.525192 2.076885 -4.623021\nLi Mn V P H O\n3 3 3 6 6 30\ndirect\n0.696231 0.158206 0.746469 Li\n0.640627 0.507003 0.919985 Li\n0.304031 0.840354 0.253229 Li\n0.668242 0.333175 0.333510 Mn\n0.329827 0.664435 0.670105 Mn\n0.001507 0.999488 0.999681 Mn\n0.666388 0.834902 0.830655 V\n0.335930 0.166195 0.171145 V\n0.000340 0.501298 0.497164 V\n0.928831 0.301725 0.949241 P\n0.742345 0.030320 0.382733 P\n0.406007 0.362650 0.717811 P\n0.594669 0.637066 0.282465 P\n0.259854 0.967924 0.616491 P\n0.073938 0.699021 0.049724 P\n0.330817 0.016828 0.957243 H\n0.999148 0.335308 0.316203 H\n0.662044 0.681865 0.626396 H\n0.334738 0.332346 0.349251 H\n0.000041 0.663009 0.688701 H\n0.670001 0.983860 0.042607 H\n0.920220 0.193842 0.860559 O\n0.409452 0.234769 0.889758 O\n0.922346 0.429221 0.776662 O\n0.903488 0.720979 0.903650 O\n0.737307 0.135957 0.478701 O\n0.915464 0.015323 0.260211 O\n0.418253 0.469485 0.807360 O\n0.582354 0.338296 0.599199 O\n0.911313 0.368946 0.405242 O\n0.574372 0.050937 0.233792 O\n0.260762 0.093165 0.440936 O\n0.745339 0.972683 0.924119 O\n0.247214 0.681769 0.927342 O\n0.585807 0.693114 0.744228 O\n0.238584 0.387228 0.568974 O\n0.759362 0.615473 0.434389 O\n0.422458 0.297644 0.260995 O\n0.752374 0.325138 0.068514 O\n0.256842 0.027107 0.076389 O\n0.737566 0.904120 0.558688 O\n0.428010 0.949070 0.765924 O\n0.086977 0.629901 0.598471 O\n0.417936 0.657855 0.401031 O\n0.597841 0.531138 0.187913 O\n0.086638 0.981975 0.740253 O\n0.268794 0.860945 0.522708 O\n0.096570 0.278271 0.097112 O\n0.069867 0.574055 0.224984 O\n0.589164 0.765788 0.109615 O\n0.079708 0.806357 0.140841 O\n",
"nsites": 51,
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"elements": [
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"V",
"P",
"H",
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],
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"density": 3.0994828168100264,
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"volume": 541.2834728919217,
"volume_molar": 6.391539734934896,
"formula_full": "Li3 Mn3 V3 P6 H6 O30",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -380.59985255,
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"updated_at": "2021-11-28T01:36:42.789000Z",
"spacegroup": 1
},
{
"id": "mp-849523",
"created_at": "2022-09-04T14:47:02.960767Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.164126 0.000000 0.000000\n-0.917273 5.421768 0.000000\n-2.387124 -2.055295 19.567958\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.802680 0.450472 0.940492 Li\n0.470751 0.114367 0.273968 Li\n0.865189 0.211841 0.392055 Li\n0.139319 0.787989 0.610695 Li\n0.525551 0.885074 0.724391 Li\n0.194635 0.550638 0.059083 Li\n0.162075 0.169701 0.832954 Mn\n0.333026 0.337456 0.666856 Mn\n0.832430 0.832998 0.166439 Mn\n0.998454 0.999976 0.999791 V\n0.504883 0.497018 0.500923 V\n0.670399 0.663295 0.332778 V\n0.737433 0.046524 0.588477 P\n0.073558 0.377561 0.255688 P\n0.592830 0.287442 0.077563 P\n0.402904 0.713475 0.921814 P\n0.925674 0.629637 0.745056 P\n0.269090 0.944820 0.411588 P\n0.750336 0.045200 0.886157 H\n0.579988 0.292530 0.778271 H\n0.086652 0.382028 0.556169 H\n0.915622 0.611882 0.446265 H\n0.417893 0.710751 0.218957 H\n0.247338 0.956261 0.113665 H\n0.490334 0.019558 0.625492 O\n0.930747 0.135145 0.907491 O\n0.992195 0.106548 0.642628 O\n0.398444 0.202205 0.757343 O\n0.085524 0.114488 0.221387 O\n0.254840 0.201654 0.448690 O\n0.578701 0.090035 0.127924 O\n0.743223 0.253889 0.539958 O\n0.413576 0.450100 0.887267 O\n0.912786 0.428936 0.794661 O\n0.267362 0.469563 0.576765 O\n0.673692 0.571379 0.689572 O\n0.341748 0.233912 0.022961 O\n0.842839 0.297525 0.039637 O\n0.823000 0.365505 0.293429 O\n0.173986 0.652610 0.708196 O\n0.154534 0.702353 0.960318 O\n0.655359 0.764874 0.975863 O\n0.323304 0.430215 0.310653 O\n0.735139 0.528579 0.425276 O\n0.086568 0.575607 0.205494 O\n0.580569 0.550428 0.111591 O\n0.264778 0.738765 0.460220 O\n0.416049 0.912740 0.871971 O\n0.761413 0.792923 0.550675 O\n0.903998 0.889248 0.780801 O\n0.599373 0.799567 0.240024 O\n0.015392 0.893154 0.358472 O\n0.066004 0.866925 0.092580 O\n0.515810 0.962633 0.372562 O\n",
"nsites": 54,
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"elements": [
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"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.125291708259156,
"density_atomic": 0.09856222346782194,
"volume": 547.8772505333103,
"volume_molar": 6.109988744284037,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.35775827,
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"updated_at": "2021-11-28T01:37:54.233000Z",
"spacegroup": 1
},
{
"id": "mp-754810",
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{
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"formula_full": "Li4 Mn2 V2 P4 H4 O20",
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},
{
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"formula_full": "Li6 Mn3 V3 P6 H6 O30",
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{
"id": "mp-1176607",
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"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n5.222490 0.000000 0.000000\n-2.566875 6.927755 0.000000\n-0.840082 -3.396722 9.910051\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.568762 0.644402 0.795008 Li\n0.431238 0.355598 0.204992 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.494662 0.046275 0.821091 P\n0.995964 0.445754 0.678916 P\n0.004036 0.554246 0.321084 P\n0.505338 0.953725 0.178909 P\n0.328361 0.317131 0.968786 H\n0.167645 0.183166 0.517839 H\n0.832355 0.816834 0.482161 H\n0.671639 0.682869 0.031214 H\n0.821240 0.692579 0.977408 O\n0.633059 0.281010 0.903421 O\n0.119709 0.478152 0.829285 O\n0.238217 0.949248 0.878820 O\n0.696693 0.940589 0.830421 O\n0.779732 0.539502 0.675937 O\n0.256965 0.555662 0.627538 O\n0.392361 0.022207 0.671644 O\n0.876575 0.214189 0.594789 O\n0.346733 0.207783 0.485395 O\n0.653267 0.792217 0.514605 O\n0.123425 0.785811 0.405211 O\n0.607639 0.977793 0.328356 O\n0.743035 0.444338 0.372462 O\n0.220268 0.460498 0.324063 O\n0.303307 0.059411 0.169579 O\n0.761783 0.050752 0.121180 O\n0.880291 0.521848 0.170715 O\n0.366941 0.718990 0.096579 O\n0.178760 0.307421 0.022592 O\n",
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"formula_full": "Li2 Mn2 V2 P4 H4 O20",
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{
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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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"structure_string": "Li1 Mn1 V1 P2 H2 O10\n1.0\n5.223928 0.000000 0.000000\n-0.941923 5.261605 0.000000\n-1.726507 -2.960614 6.503697\nLi Mn V P H O\n1 1 1 2 2 10\ndirect\n0.774578 0.408511 0.152279 Li\n0.000626 0.005097 0.996516 Mn\n0.998072 0.997445 0.504622 V\n0.319167 0.641991 0.231405 P\n0.673640 0.357276 0.773438 P\n0.644045 0.938946 0.342771 H\n0.353317 0.036605 0.662231 H\n0.142450 0.975724 0.718533 O\n0.283203 0.810709 0.380763 O\n0.722294 0.658230 0.646685 O\n0.633427 0.746897 0.071394 O\n0.105434 0.652421 0.135396 O\n0.868598 0.345195 0.886083 O\n0.362782 0.243474 0.930878 O\n0.291963 0.342106 0.346465 O\n0.726763 0.195604 0.618486 O\n0.848595 0.045604 0.277526 O\n",
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}
]
}