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{
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"results": [
{
"id": "mp-775771",
"created_at": "2022-09-04T14:45:14.843773Z",
"structure_string": "Li4 Mn3 V3 Sn2 O16\n1.0\n6.086216 0.055464 -0.093569\n-2.994327 5.098924 0.030455\n-0.153703 -0.030029 9.848439\nLi Mn V Sn O\n4 3 3 2 16\ndirect\n0.314927 0.658331 0.896971 Li\n0.999568 0.990859 0.991504 Li\n0.015254 0.012233 0.491723 Li\n0.665978 0.337544 0.398942 Li\n0.664696 0.834688 0.213260 Mn\n0.831499 0.664242 0.713056 Mn\n0.825008 0.166588 0.714414 Mn\n0.165225 0.820322 0.213780 V\n0.173065 0.339843 0.214606 V\n0.337467 0.175237 0.715641 V\n0.350132 0.681202 0.488831 Sn\n0.654667 0.315342 0.990863 Sn\n0.198730 0.869330 0.602137 O\n0.035454 0.528442 0.337417 O\n0.338841 0.679461 0.109765 O\n0.998626 0.990528 0.304864 O\n0.997708 0.000168 0.804088 O\n0.186527 0.339600 0.597438 O\n0.464344 0.974545 0.343202 O\n0.484440 0.523207 0.336002 O\n0.319441 0.146282 0.104208 O\n0.698747 0.850785 0.594565 O\n0.481134 0.453828 0.841377 O\n0.490746 0.020739 0.844681 O\n0.665618 0.335686 0.613148 O\n0.851769 0.663586 0.095464 O\n0.948647 0.475356 0.838595 O\n0.841744 0.152328 0.097301 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"V",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-V",
"density": 4.534308290210458,
"density_atomic": 0.09114960855429782,
"volume": 307.18727643597504,
"volume_molar": 6.606875065637403,
"formula_full": "Li4 Mn3 V3 Sn2 O16",
"formula_reduced": "Li4Mn3V3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -213.20435295,
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"energy_uncorrected": -192.10835295,
"band_gap": 0.5051000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.718000Z",
"spacegroup": 1
},
{
"id": "mp-753972",
"created_at": "2022-09-04T14:45:19.488216Z",
"structure_string": "Li4 Ti2 Ni3 Sn3 O16\n1.0\n3.050035 5.185247 0.000000\n-3.050035 5.185247 0.000000\n0.000000 0.357998 9.624933\nLi Ti Ni Sn O\n4 2 3 3 16\ndirect\n0.677188 0.677188 0.890746 Li\n0.979517 0.979517 0.989415 Li\n0.987500 0.987500 0.500564 Li\n0.333063 0.333063 0.402680 Li\n0.676451 0.676451 0.494177 Ti\n0.358056 0.358056 0.986084 Ti\n0.829074 0.829074 0.216597 Ni\n0.659474 0.175979 0.714352 Ni\n0.175979 0.659474 0.714352 Ni\n0.832419 0.339250 0.213665 Sn\n0.339250 0.832419 0.213665 Sn\n0.169694 0.169694 0.714847 Sn\n0.829369 0.324037 0.597439 O\n0.512189 0.512189 0.342539 O\n0.673434 0.673434 0.098222 O\n0.993827 0.993827 0.313425 O\n0.985529 0.985529 0.802010 O\n0.324037 0.829369 0.597439 O\n0.958791 0.512050 0.353089 O\n0.512050 0.958791 0.353089 O\n0.163871 0.163871 0.086362 O\n0.819236 0.819236 0.591337 O\n0.490737 0.046496 0.839134 O\n0.046496 0.490737 0.839134 O\n0.348142 0.348142 0.611488 O\n0.658776 0.176198 0.091233 O\n0.487142 0.487142 0.849607 O\n0.176198 0.658776 0.091233 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn-Ti",
"density": 4.972770343388991,
"density_atomic": 0.09197208853791676,
"volume": 304.44018881289855,
"volume_molar": 6.547791678686616,
"formula_full": "Li4 Ti2 Ni3 Sn3 O16",
"formula_reduced": "Li4Ti2Ni3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -192.67744227,
"energy_per_atom": -6.881337223928571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -174.06244227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.559000Z",
"spacegroup": 8
},
{
"id": "mp-774569",
"created_at": "2022-09-04T14:45:12.920642Z",
"structure_string": "Li4 Mn2 Fe3 Te3 O16\n1.0\n6.242997 0.000000 0.000000\n-3.056226 5.463805 0.000000\n-0.411128 -0.326151 9.960119\nLi Mn Fe Te O\n4 2 3 3 16\ndirect\n0.348698 0.655589 0.878558 Li\n0.984235 0.976230 0.992771 Li\n0.006641 0.999018 0.505375 Li\n0.664833 0.310206 0.396900 Li\n0.313164 0.679652 0.511639 Mn\n0.696301 0.364495 0.974794 Mn\n0.146048 0.822628 0.213272 Fe\n0.338437 0.169861 0.718907 Fe\n0.838237 0.671719 0.714965 Fe\n0.151327 0.326790 0.212937 Te\n0.634426 0.817023 0.219220 Te\n0.840090 0.178162 0.714355 Te\n0.140346 0.314226 0.608164 O\n0.475590 0.503584 0.328340 O\n0.308305 0.632059 0.104190 O\n0.024461 0.034523 0.322522 O\n0.007510 0.029733 0.815171 O\n0.687862 0.872341 0.605605 O\n0.030079 0.487232 0.328981 O\n0.477713 0.952306 0.333569 O\n0.856867 0.194268 0.089049 O\n0.163481 0.861128 0.612200 O\n0.555979 0.056867 0.839946 O\n0.987561 0.474066 0.827612 O\n0.664940 0.313133 0.606157 O\n0.286341 0.166028 0.107383 O\n0.533518 0.475241 0.840375 O\n0.836711 0.661593 0.084883 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-Li-Mn-O-Te",
"density": 4.613732066992874,
"density_atomic": 0.0824147957450055,
"volume": 339.7448206585752,
"volume_molar": 7.307111187453199,
"formula_full": "Li4 Mn2 Fe3 Te3 O16",
"formula_reduced": "Li4Mn2Fe3Te3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -189.9287958,
"energy_per_atom": -6.783171278571428,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -168.8327958,
"band_gap": 0.8597999999999999,
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"is_magnetic": true,
"total_magnetization": 21.9999486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.103000Z",
"spacegroup": 1
},
{
"id": "mp-775290",
"created_at": "2022-09-04T14:45:09.197837Z",
"structure_string": "Li4 Nb2 Cr3 Cu3 O16\n1.0\n5.993537 0.085583 0.177986\n-2.922538 5.063479 0.000897\n0.287504 0.167795 9.766854\nLi Nb Cr Cu O\n4 2 3 3 16\ndirect\n0.322918 0.661691 0.898843 Li\n0.998433 0.999094 0.993181 Li\n0.008713 0.004940 0.488426 Li\n0.680140 0.340092 0.403714 Li\n0.369222 0.685260 0.496036 Nb\n0.668259 0.333068 0.989200 Nb\n0.659791 0.829051 0.218026 Cr\n0.827209 0.660225 0.715616 Cr\n0.827876 0.167823 0.715161 Cr\n0.175175 0.836394 0.212966 Cu\n0.175451 0.339012 0.213608 Cu\n0.336027 0.168559 0.714084 Cu\n0.157999 0.826105 0.588493 O\n0.056638 0.529613 0.332102 O\n0.336587 0.668603 0.119933 O\n0.999882 0.999123 0.298638 O\n0.992386 0.996362 0.806742 O\n0.158019 0.332071 0.588127 O\n0.518344 0.977796 0.355887 O\n0.514148 0.537513 0.355495 O\n0.307631 0.153332 0.095339 O\n0.672375 0.836444 0.603812 O\n0.511322 0.478176 0.841328 O\n0.511906 0.033525 0.841122 O\n0.673122 0.337062 0.611702 O\n0.790059 0.649550 0.085181 O\n0.958017 0.478874 0.839251 O\n0.792348 0.140942 0.085831 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Li-Nb-O",
"density": 4.540415702177444,
"density_atomic": 0.09380185787723992,
"volume": 298.50155032796977,
"volume_molar": 6.420065546975921,
"formula_full": "Li4 Nb2 Cr3 Cu3 O16",
"formula_reduced": "Li4Nb2Cr3Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.78653546,
"energy_per_atom": -7.420947695000001,
"energy_above_hull": null,
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"energy_uncorrected": -190.79753546,
"band_gap": 0.0,
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"total_magnetization": 10.4274059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.992000Z",
"spacegroup": 8
},
{
"id": "mp-775441",
"created_at": "2022-09-04T14:44:30.517479Z",
"structure_string": "Li4 V3 Fe3 Sb2 O16\n1.0\n6.003868 0.014989 0.021339\n-2.988629 5.212713 0.027008\n0.034203 0.070067 9.777059\nLi V Fe Sb O\n4 3 3 2 16\ndirect\n0.343676 0.673289 0.901874 Li\n0.994945 0.999356 0.989588 Li\n0.992767 0.993943 0.489311 Li\n0.675860 0.341237 0.399801 Li\n0.653287 0.826848 0.220345 V\n0.826410 0.651217 0.719604 V\n0.823479 0.170116 0.713172 V\n0.165018 0.824029 0.211628 Fe\n0.168652 0.341788 0.210756 Fe\n0.336578 0.163852 0.711346 Fe\n0.326084 0.661740 0.489740 Sb\n0.663020 0.326576 0.990575 Sb\n0.158220 0.827163 0.593235 O\n0.042776 0.532142 0.347675 O\n0.371961 0.698607 0.106304 O\n0.975189 0.977610 0.300496 O\n0.974298 0.974186 0.800604 O\n0.151659 0.325540 0.589258 O\n0.489476 0.964935 0.345525 O\n0.493939 0.532571 0.348651 O\n0.328868 0.155963 0.091313 O\n0.658204 0.826055 0.596507 O\n0.530723 0.489321 0.848415 O\n0.535142 0.040677 0.848166 O\n0.691853 0.367040 0.606133 O\n0.830524 0.660264 0.097106 O\n0.967089 0.491383 0.846401 O\n0.830300 0.162853 0.094309 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb-V",
"density": 4.593681178373281,
"density_atomic": 0.09138216992312652,
"volume": 306.40550583942644,
"volume_molar": 6.590061020728672,
"formula_full": "Li4 V3 Fe3 Sb2 O16",
"formula_reduced": "Li4V3Fe3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -208.12211387,
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"energy_above_hull": null,
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"energy_uncorrected": -185.26211387,
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"updated_at": "2021-11-28T01:36:43.308000Z",
"spacegroup": 1
},
{
"id": "mp-1177484",
"created_at": "2022-09-04T14:44:43.194561Z",
"structure_string": "Li4 Nb3 V2 Ni3 O16\n1.0\n3.048833 5.230470 0.000000\n-3.048833 5.230470 0.000000\n0.000000 0.015453 9.742440\nLi Nb V Ni O\n4 3 2 3 16\ndirect\n0.662582 0.662582 0.115900 Li\n0.979796 0.979796 0.017743 Li\n0.998391 0.998391 0.493575 Li\n0.329240 0.329240 0.596482 Li\n0.339113 0.836643 0.787627 Nb\n0.836643 0.339113 0.787627 Nb\n0.175401 0.175401 0.278469 Nb\n0.678177 0.678177 0.496998 V\n0.345730 0.345730 0.023189 V\n0.830287 0.830287 0.783871 Ni\n0.184488 0.654224 0.288364 Ni\n0.654224 0.184488 0.288364 Ni\n0.345429 0.834865 0.405796 O\n0.515783 0.515783 0.665473 O\n0.659922 0.659922 0.899604 O\n0.003634 0.003634 0.682255 O\n0.999669 0.999669 0.202308 O\n0.834865 0.345429 0.405796 O\n0.509236 0.953846 0.656873 O\n0.953846 0.509236 0.656873 O\n0.165621 0.165621 0.894725 O\n0.825800 0.825800 0.414402 O\n0.030689 0.475026 0.155337 O\n0.475026 0.030689 0.155337 O\n0.324831 0.324831 0.400978 O\n0.178507 0.671669 0.896508 O\n0.480804 0.480804 0.152718 O\n0.671669 0.178507 0.896508 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Li-Nb-Ni-O-V",
"density": 4.491403152355583,
"density_atomic": 0.0901126878480736,
"volume": 310.72205999677743,
"volume_molar": 6.682899937634853,
"formula_full": "Li4 Nb3 V2 Ni3 O16",
"formula_reduced": "Li4Nb3V2Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -218.58131631,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:42.867000Z",
"spacegroup": 8
},
{
"id": "mp-776001",
"created_at": "2022-09-04T14:44:40.508425Z",
"structure_string": "Li4 Nb3 V3 Sb2 O16\n1.0\n3.057644 5.312799 0.000000\n-3.057644 5.312799 0.000000\n0.000000 0.089364 10.628718\nLi Nb V Sb O\n4 3 3 2 16\ndirect\n0.666563 0.666563 0.098271 Li\n0.003775 0.003775 0.007849 Li\n0.002286 0.002286 0.506041 Li\n0.339067 0.339067 0.607672 Li\n0.824828 0.824828 0.773662 Nb\n0.169917 0.643724 0.278710 Nb\n0.643724 0.169917 0.278710 Nb\n0.340161 0.825826 0.784717 V\n0.825826 0.340161 0.784717 V\n0.169847 0.169847 0.289203 V\n0.658910 0.658910 0.489454 Sb\n0.330205 0.330205 0.983386 Sb\n0.317456 0.828708 0.396449 O\n0.513466 0.513466 0.684530 O\n0.676234 0.676234 0.892679 O\n0.994770 0.994770 0.687616 O\n0.998052 0.998052 0.189145 O\n0.828708 0.317456 0.396449 O\n0.515100 0.984783 0.679940 O\n0.984783 0.515100 0.679940 O\n0.156763 0.156763 0.888036 O\n0.844618 0.844618 0.397400 O\n0.009789 0.510360 0.177436 O\n0.510360 0.009789 0.177436 O\n0.337678 0.337678 0.404307 O\n0.156644 0.688788 0.895591 O\n0.491032 0.491032 0.167245 O\n0.688788 0.156644 0.895591 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"V",
"Sb",
"O"
],
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"density": 4.610670738168928,
"density_atomic": 0.08108431391217143,
"volume": 345.31956489548554,
"volume_molar": 7.427010810652032,
"formula_full": "Li4 Nb3 V3 Sb2 O16",
"formula_reduced": "Li4Nb3V3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -222.00046855,
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"energy_uncorrected": -205.90846855,
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"updated_at": "2021-11-28T01:37:02.828000Z",
"spacegroup": 8
},
{
"id": "mp-776237",
"created_at": "2022-09-04T14:44:29.380968Z",
"structure_string": "Li4 Mn3 Co3 Sn2 O16\n1.0\n5.809304 -0.007930 0.006426\n-2.911603 5.043938 0.000697\n0.008135 0.006111 9.638179\nLi Mn Co Sn O\n4 3 3 2 16\ndirect\n0.333515 0.666743 0.893803 Li\n0.001466 0.000788 0.995816 Li\n0.005684 0.003138 0.493452 Li\n0.670929 0.335604 0.388399 Li\n0.660781 0.830165 0.215246 Mn\n0.830451 0.661218 0.715962 Mn\n0.830245 0.169097 0.716013 Mn\n0.170743 0.830813 0.215731 Co\n0.170396 0.339928 0.215595 Co\n0.340777 0.170346 0.715358 Co\n0.328492 0.664088 0.491422 Sn\n0.659762 0.329896 0.995276 Sn\n0.153477 0.839304 0.603775 O\n0.035796 0.518176 0.330331 O\n0.334029 0.667249 0.112989 O\n0.999968 0.999777 0.307051 O\n0.002509 0.000997 0.808560 O\n0.153264 0.314094 0.603752 O\n0.484896 0.968245 0.332187 O\n0.484755 0.516196 0.332056 O\n0.309596 0.154757 0.103557 O\n0.682574 0.841267 0.603470 O\n0.518805 0.485945 0.832619 O\n0.518902 0.032777 0.832734 O\n0.670322 0.335536 0.611311 O\n0.840459 0.684300 0.103925 O\n0.967088 0.483527 0.833360 O\n0.840315 0.156328 0.104089 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-Mn-O-Sn",
"density": 5.077002652318476,
"density_atomic": 0.09922295747514348,
"volume": 282.19275772962453,
"volume_molar": 6.069301816072775,
"formula_full": "Li4 Mn3 Co3 Sn2 O16",
"formula_reduced": "Li4Mn3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -196.7735604,
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"updated_at": "2021-11-28T01:36:43.869000Z",
"spacegroup": 8
},
{
"id": "mp-1177411",
"created_at": "2022-09-04T14:44:29.904238Z",
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},
{
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"structure_string": "Li4 Mn3 Nb3 Fe2 O16\n1.0\n6.207426 0.099335 0.106645\n-3.017622 5.225752 0.004011\n0.173957 0.107749 9.843634\nLi Mn Nb Fe O\n4 3 3 2 16\ndirect\n0.341647 0.671009 0.900310 Li\n0.003124 0.001407 0.002325 Li\n0.027923 0.013785 0.488028 Li\n0.675554 0.337987 0.387568 Li\n0.173181 0.832145 0.213008 Mn\n0.172640 0.341025 0.212884 Mn\n0.340143 0.170144 0.714527 Mn\n0.660077 0.829857 0.218849 Nb\n0.830703 0.663238 0.715483 Nb\n0.830828 0.167699 0.715388 Nb\n0.306533 0.653578 0.479615 Fe\n0.645154 0.322503 0.003649 Fe\n0.148427 0.825143 0.598539 O\n0.045747 0.522995 0.327537 O\n0.331619 0.665876 0.109770 O\n0.002726 0.001425 0.303202 O\n0.986298 0.993011 0.818254 O\n0.148514 0.322840 0.598472 O\n0.498150 0.966548 0.347079 O\n0.497198 0.531068 0.346879 O\n0.312038 0.156094 0.100857 O\n0.693056 0.846579 0.604829 O\n0.533489 0.491928 0.838181 O\n0.533208 0.041533 0.838010 O\n0.696676 0.348449 0.600185 O\n0.797143 0.657992 0.096377 O\n0.969838 0.484631 0.831433 O\n0.798365 0.139810 0.096604 O\n",
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],
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"volume_molar": 6.928233415667517,
"formula_full": "Li4 Mn3 Nb3 Fe2 O16",
"formula_reduced": "Li4Mn3Nb3(FeO8)2",
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},
{
"id": "mp-774912",
"created_at": "2022-09-04T14:45:06.545147Z",
"structure_string": "Li4 Nb2 Co3 Sb3 O16\n1.0\n6.207075 0.000000 0.000000\n3.053474 5.416086 0.000000\n0.126247 0.070178 9.906827\nLi Nb Co Sb O\n4 2 3 3 16\ndirect\n0.676048 0.667331 0.896560 Li\n0.980107 0.994902 0.984873 Li\n0.980723 0.003309 0.501208 Li\n0.339452 0.322803 0.407144 Li\n0.677825 0.671998 0.498167 Nb\n0.336404 0.360131 0.977791 Nb\n0.837386 0.829460 0.211110 Co\n0.172388 0.658092 0.710646 Co\n0.662580 0.171510 0.715198 Co\n0.336095 0.837973 0.217282 Sb\n0.827251 0.344791 0.215408 Sb\n0.176593 0.166891 0.714755 Sb\n0.343440 0.837195 0.590820 O\n0.540059 0.493959 0.353982 O\n0.689399 0.652038 0.101353 O\n0.968774 0.025111 0.316553 O\n0.999396 0.998545 0.798727 O\n0.853116 0.336744 0.594606 O\n0.526546 0.950419 0.351164 O\n0.962335 0.505334 0.341963 O\n0.141786 0.187522 0.096114 O\n0.840034 0.818634 0.588948 O\n0.041243 0.468784 0.840012 O\n0.464288 0.037313 0.851829 O\n0.342802 0.325683 0.608495 O\n0.136660 0.660828 0.078498 O\n0.486245 0.478207 0.847861 O\n0.660723 0.194791 0.096772 O\n",
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],
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"formula_full": "Li4 Nb2 Co3 Sb3 O16",
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},
{
"id": "mp-774375",
"created_at": "2022-09-04T14:45:07.199893Z",
"structure_string": "Li4 Ti3 Co2 Sn3 O16\n1.0\n6.139125 0.018295 0.041466\n-3.053760 5.288372 0.000209\n0.065883 0.038516 9.844250\nLi Ti Co Sn O\n4 3 2 3 16\ndirect\n0.337251 0.668641 0.885605 Li\n0.979516 0.989758 0.996156 Li\n0.987501 0.993696 0.501541 Li\n0.670357 0.335245 0.392584 Li\n0.661424 0.830728 0.217313 Ti\n0.830188 0.167449 0.716185 Ti\n0.830847 0.662251 0.716530 Ti\n0.330423 0.665287 0.493759 Co\n0.673250 0.336701 0.993107 Co\n0.169470 0.831154 0.214154 Sn\n0.169490 0.338361 0.214157 Sn\n0.341173 0.170664 0.712800 Sn\n0.153173 0.836017 0.602253 O\n0.029629 0.514823 0.336688 O\n0.350551 0.675285 0.097724 O\n0.986872 0.993439 0.318823 O\n0.990403 0.995233 0.814590 O\n0.153313 0.317271 0.602279 O\n0.490849 0.963961 0.334591 O\n0.491019 0.526913 0.334643 O\n0.313297 0.156673 0.095256 O\n0.689570 0.845075 0.613619 O\n0.529175 0.493181 0.831886 O\n0.529260 0.036194 0.831939 O\n0.689506 0.344760 0.602613 O\n0.830347 0.681547 0.105403 O\n0.961773 0.481165 0.826245 O\n0.830379 0.148827 0.105399 O\n",
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],
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"formula_full": "Li4 Ti3 Co2 Sn3 O16",
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]
}