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{
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"results": [
{
"id": "mp-752651",
"created_at": "2022-09-04T14:48:15.976901Z",
"structure_string": "Li4 Ti2 Nb3 Cu3 O16\n1.0\n3.021980 5.355613 0.000000\n-3.021980 5.355613 0.000000\n0.000000 0.667561 9.856882\nLi Ti Nb Cu O\n4 2 3 3 16\ndirect\n0.667084 0.667084 0.912162 Li\n0.005269 0.005269 0.999865 Li\n0.025648 0.025648 0.478612 Li\n0.337456 0.337456 0.394872 Li\n0.636531 0.636531 0.472707 Ti\n0.324505 0.324505 0.008940 Ti\n0.823715 0.823715 0.228590 Nb\n0.659054 0.160261 0.717962 Nb\n0.160261 0.659054 0.717962 Nb\n0.829423 0.338045 0.204216 Cu\n0.338045 0.829423 0.204216 Cu\n0.171374 0.171374 0.706533 Cu\n0.811500 0.336736 0.587304 O\n0.521860 0.521860 0.347196 O\n0.671995 0.671995 0.112581 O\n0.997504 0.997504 0.292063 O\n0.998527 0.998527 0.809609 O\n0.336736 0.811500 0.587304 O\n0.967615 0.542157 0.359480 O\n0.542157 0.967615 0.359480 O\n0.165836 0.165836 0.086755 O\n0.844903 0.844903 0.609548 O\n0.501476 0.041701 0.848671 O\n0.041701 0.501476 0.848671 O\n0.346267 0.346267 0.602883 O\n0.643492 0.147096 0.090118 O\n0.484315 0.484315 0.829443 O\n0.147096 0.643492 0.090118 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Nb-O-Ti",
"density": 4.417814157040545,
"density_atomic": 0.08775819968419246,
"volume": 319.0585050828422,
"volume_molar": 6.862197243871612,
"formula_full": "Li4 Ti2 Nb3 Cu3 O16",
"formula_reduced": "Li4Ti2Nb3Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -215.40606878,
"energy_per_atom": -7.693073885,
"energy_above_hull": null,
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"energy_uncorrected": -204.41406878,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.1424183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.718000Z",
"spacegroup": 8
},
{
"id": "mp-779210",
"created_at": "2022-09-04T14:48:26.307537Z",
"structure_string": "Li4 Mn3 Fe2 Cu3 O16\n1.0\n5.831453 0.027740 0.055556\n-2.891755 5.014929 -0.001174\n0.086289 0.047646 9.477539\nLi Mn Fe Cu O\n4 3 2 3 16\ndirect\n0.331273 0.665527 0.895017 Li\n0.990949 0.995233 0.997880 Li\n0.013404 0.006743 0.492930 Li\n0.674088 0.337067 0.395623 Li\n0.653249 0.826642 0.215412 Mn\n0.834267 0.663334 0.714937 Mn\n0.834280 0.171006 0.714887 Mn\n0.336253 0.668380 0.491695 Fe\n0.654269 0.327155 0.992094 Fe\n0.165865 0.827561 0.212887 Cu\n0.165671 0.338281 0.213029 Cu\n0.341216 0.170684 0.713380 Cu\n0.158886 0.831887 0.598852 O\n0.041889 0.520912 0.337573 O\n0.339002 0.669242 0.109393 O\n0.988429 0.994577 0.305085 O\n0.993884 0.997003 0.809632 O\n0.158916 0.327189 0.598853 O\n0.494419 0.967462 0.341135 O\n0.493224 0.526161 0.340808 O\n0.313441 0.156821 0.098368 O\n0.684533 0.842213 0.603573 O\n0.528666 0.491308 0.837954 O\n0.528602 0.037204 0.837912 O\n0.684017 0.342001 0.608592 O\n0.814998 0.666108 0.098505 O\n0.966248 0.483136 0.833072 O\n0.816060 0.149459 0.098763 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-Mn-O",
"density": 4.48695211211629,
"density_atomic": 0.10075816929061765,
"volume": 277.8930998561453,
"volume_molar": 5.976826298451582,
"formula_full": "Li4 Mn3 Fe2 Cu3 O16",
"formula_reduced": "Li4Mn3Fe2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -188.88118713,
"energy_per_atom": -6.745756683214286,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -168.37318713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.2791934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:16.448000Z",
"spacegroup": 8
},
{
"id": "mp-775748",
"created_at": "2022-09-04T14:43:17.533048Z",
"structure_string": "Li4 Cr3 Fe2 Sn3 O16\n1.0\n-6.091023 0.000000 0.000000\n3.039559 5.286846 0.000000\n-0.035130 -0.068966 -9.665824\nLi Cr Fe Sn O\n4 3 2 3 16\ndirect\n0.667655 0.324632 0.888815 Li\n0.987742 0.014260 0.992255 Li\n0.990005 0.006312 0.500685 Li\n0.334568 0.665875 0.397036 Li\n0.830450 0.170712 0.215623 Cr\n0.659832 0.828180 0.714188 Cr\n0.170428 0.337243 0.712606 Cr\n0.676331 0.336255 0.493424 Fe\n0.340503 0.661538 0.988089 Fe\n0.831609 0.661613 0.213916 Sn\n0.339149 0.169082 0.214111 Sn\n0.168999 0.828127 0.714415 Sn\n0.835362 0.674242 0.596299 O\n0.518362 0.483164 0.345867 O\n0.671287 0.328793 0.098350 O\n0.995449 0.005665 0.315639 O\n0.997766 0.006982 0.809007 O\n0.324180 0.175083 0.600646 O\n0.963245 0.477486 0.342264 O\n0.524028 0.038660 0.343659 O\n0.161007 0.837928 0.091410 O\n0.848061 0.175995 0.608468 O\n0.484199 0.955902 0.843203 O\n0.040094 0.503284 0.838126 O\n0.335706 0.657815 0.603581 O\n0.671569 0.836912 0.097608 O\n0.469481 0.509129 0.830456 O\n0.163232 0.329427 0.098095 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Fe",
"Sn",
"O"
],
"chemical_system": "Cr-Fe-Li-O-Sn",
"density": 4.841723156489206,
"density_atomic": 0.08995643767900116,
"volume": 311.26176983480235,
"volume_molar": 6.694507825542505,
"formula_full": "Li4 Cr3 Fe2 Sn3 O16",
"formula_reduced": "Li4Cr3Fe2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -203.71638453,
"energy_per_atom": -7.275585161785714,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -182.21538453,
"band_gap": 0.2814000000000001,
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"is_magnetic": true,
"total_magnetization": 18.0004518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.474000Z",
"spacegroup": 1
},
{
"id": "mp-765741",
"created_at": "2022-09-04T14:43:15.498826Z",
"structure_string": "Li4 Mn2 V3 Sb3 O16\n1.0\n3.082517 5.350909 0.000000\n-3.082517 5.350909 0.000000\n0.000000 0.037083 10.028740\nLi Mn V Sb O\n4 2 3 3 16\ndirect\n0.663907 0.663907 0.126764 Li\n0.990950 0.990950 0.008991 Li\n0.993880 0.993880 0.494564 Li\n0.327743 0.327743 0.598331 Li\n0.675273 0.675273 0.482343 Mn\n0.343093 0.343093 0.019607 Mn\n0.832293 0.832293 0.783298 V\n0.170890 0.663723 0.285092 V\n0.663723 0.170890 0.285092 V\n0.336530 0.832432 0.783825 Sb\n0.832432 0.336530 0.783825 Sb\n0.169524 0.169524 0.284997 Sb\n0.309468 0.848698 0.397138 O\n0.513014 0.513014 0.671538 O\n0.661635 0.661635 0.896130 O\n0.004583 0.004583 0.678844 O\n0.006813 0.006813 0.185435 O\n0.848698 0.309468 0.397138 O\n0.512210 0.968474 0.676715 O\n0.968474 0.512210 0.676715 O\n0.153273 0.153273 0.895589 O\n0.847183 0.847183 0.390492 O\n0.031480 0.480992 0.169597 O\n0.480992 0.031480 0.169597 O\n0.326166 0.326166 0.397730 O\n0.157415 0.694679 0.889809 O\n0.483236 0.483236 0.173159 O\n0.694679 0.157415 0.889809 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb-V",
"density": 4.576234872077427,
"density_atomic": 0.0846347309408239,
"volume": 330.8334496812831,
"volume_molar": 7.115448578918086,
"formula_full": "Li4 Mn2 V3 Sb3 O16",
"formula_reduced": "Li4Mn2V3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.03650014,
"energy_per_atom": -7.394160719285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -187.60850014,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.9557203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.505000Z",
"spacegroup": 8
},
{
"id": "mp-774612",
"created_at": "2022-09-04T14:43:18.354132Z",
"structure_string": "Li4 Mn2 Fe3 Cu3 O16\n1.0\n5.857268 -0.006680 -0.007993\n-2.934440 5.079300 0.000652\n-0.011186 -0.005220 9.420627\nLi Mn Fe Cu O\n4 2 3 3 16\ndirect\n0.321418 0.660687 0.899171 Li\n0.003575 0.001944 0.994138 Li\n0.015776 0.007923 0.491195 Li\n0.663428 0.331725 0.397200 Li\n0.337517 0.668840 0.484850 Mn\n0.664040 0.331933 0.984989 Mn\n0.661868 0.830910 0.213201 Fe\n0.830114 0.659980 0.712939 Fe\n0.830096 0.170092 0.712922 Fe\n0.171242 0.829655 0.212597 Cu\n0.170867 0.341470 0.212133 Cu\n0.341819 0.170916 0.711588 Cu\n0.164327 0.824452 0.594031 O\n0.042940 0.521745 0.348960 O\n0.322308 0.661001 0.107860 O\n0.014786 0.007589 0.301287 O\n0.011840 0.005866 0.804410 O\n0.164378 0.339763 0.594031 O\n0.482016 0.960808 0.348399 O\n0.482152 0.521316 0.348572 O\n0.335274 0.167338 0.094629 O\n0.664605 0.832339 0.596035 O\n0.518458 0.481675 0.850103 O\n0.518439 0.036926 0.850090 O\n0.658902 0.329509 0.604483 O\n0.825701 0.661209 0.095421 O\n0.956607 0.478283 0.847291 O\n0.825506 0.164405 0.095314 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Mn",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-Mn-O",
"density": 4.45719637909809,
"density_atomic": 0.09996923424453323,
"volume": 280.08617062635113,
"volume_molar": 6.0239940872902284,
"formula_full": "Li4 Mn2 Fe3 Cu3 O16",
"formula_reduced": "Li4Mn2Fe3Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -186.10518354,
"energy_per_atom": -6.646613697857143,
"energy_above_hull": null,
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"energy_uncorrected": -165.00918354,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.123000Z",
"spacegroup": 8
},
{
"id": "mp-763698",
"created_at": "2022-09-04T14:43:13.418240Z",
"structure_string": "Li4 Nb3 V3 Co2 O16\n1.0\n3.014785 5.263153 0.000000\n-3.014785 5.263153 0.000000\n0.000000 0.001839 9.787387\nLi Nb V Co O\n4 3 3 2 16\ndirect\n0.664375 0.664375 0.100284 Li\n0.007519 0.007519 0.999578 Li\n0.012314 0.012314 0.507733 Li\n0.332879 0.332879 0.615420 Li\n0.828857 0.828857 0.781813 Nb\n0.164694 0.659075 0.284334 Nb\n0.659075 0.164694 0.284334 Nb\n0.342561 0.824292 0.785577 V\n0.824292 0.342561 0.785577 V\n0.169129 0.169129 0.288283 V\n0.657233 0.657233 0.518879 Co\n0.330106 0.330106 0.981123 Co\n0.316493 0.840528 0.393438 O\n0.516288 0.516288 0.669139 O\n0.675962 0.675962 0.902854 O\n0.995525 0.995525 0.687090 O\n0.998579 0.998579 0.179312 O\n0.840528 0.316493 0.393438 O\n0.518677 0.966166 0.663827 O\n0.966166 0.518677 0.663827 O\n0.159018 0.159018 0.890323 O\n0.842409 0.842409 0.401529 O\n0.029733 0.488232 0.173020 O\n0.488232 0.029733 0.173020 O\n0.338817 0.338817 0.403849 O\n0.158495 0.681335 0.897866 O\n0.485659 0.485659 0.167457 O\n0.681335 0.158495 0.897866 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Nb",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-Nb-O-V",
"density": 4.454312889186972,
"density_atomic": 0.09014858904586381,
"volume": 310.5983165832443,
"volume_molar": 6.680238508154783,
"formula_full": "Li4 Nb3 V3 Co2 O16",
"formula_reduced": "Li4Nb3V3(CoO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -227.51001559,
"energy_per_atom": -8.125357699642857,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:07.241000Z",
"spacegroup": 8
},
{
"id": "mp-774896",
"created_at": "2022-09-04T14:43:13.119020Z",
"structure_string": "Li4 Nb3 Co3 Sn2 O16\n1.0\n3.067728 5.268288 0.000000\n-3.067728 5.268288 0.000000\n0.000000 0.089466 10.031997\nLi Nb Co Sn O\n4 3 3 2 16\ndirect\n0.331971 0.331971 0.094441 Li\n0.999970 0.999970 0.002801 Li\n0.978520 0.978520 0.514861 Li\n0.664603 0.664603 0.614812 Li\n0.173994 0.173994 0.779180 Nb\n0.838437 0.346540 0.287355 Nb\n0.346540 0.838437 0.287355 Nb\n0.655656 0.173543 0.788682 Co\n0.173543 0.655656 0.788682 Co\n0.809221 0.809221 0.288753 Co\n0.351802 0.351802 0.517305 Sn\n0.677408 0.677408 0.994051 Sn\n0.679039 0.171384 0.398450 O\n0.485401 0.485401 0.662492 O\n0.321770 0.321770 0.900655 O\n0.006106 0.006106 0.695404 O\n0.006564 0.006564 0.194728 O\n0.171384 0.679039 0.398450 O\n0.469208 0.035613 0.649526 O\n0.035613 0.469208 0.649526 O\n0.845692 0.845692 0.903720 O\n0.173885 0.173885 0.393541 O\n0.959389 0.503608 0.151720 O\n0.503608 0.959389 0.151720 O\n0.647096 0.647096 0.410496 O\n0.846472 0.332987 0.900769 O\n0.517485 0.517485 0.171944 O\n0.332987 0.846472 0.900769 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-Nb-O-Sn",
"density": 5.001536934100187,
"density_atomic": 0.08634839775586335,
"volume": 324.26774239825085,
"volume_molar": 6.97423567374888,
"formula_full": "Li4 Nb3 Co3 Sn2 O16",
"formula_reduced": "Li4Nb3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -208.76898404,
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"energy_above_hull": null,
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"energy_uncorrected": -192.86298404,
"band_gap": 0.5170999999999997,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:14.394000Z",
"spacegroup": 8
},
{
"id": "mp-754687",
"created_at": "2022-09-04T14:43:14.035054Z",
"structure_string": "Li4 Mn3 Co2 Sb3 O16\n1.0\n3.048397 5.376703 0.000000\n-3.048397 5.376703 0.000000\n0.000000 0.136752 9.813941\nLi Mn Co Sb O\n4 3 2 3 16\ndirect\n0.662993 0.662993 0.124254 Li\n0.987259 0.987259 0.007285 Li\n0.995258 0.995258 0.493856 Li\n0.326567 0.326567 0.603275 Li\n0.831632 0.831632 0.783039 Mn\n0.169189 0.663291 0.284926 Mn\n0.663291 0.169189 0.284926 Mn\n0.673027 0.673027 0.488470 Co\n0.343111 0.343111 0.018627 Co\n0.337956 0.831125 0.784789 Sb\n0.831125 0.337956 0.784789 Sb\n0.171914 0.171914 0.284937 Sb\n0.320619 0.849088 0.398308 O\n0.514001 0.514001 0.667839 O\n0.653009 0.653009 0.903344 O\n0.012303 0.012303 0.677518 O\n0.010708 0.010708 0.185278 O\n0.849088 0.320619 0.398308 O\n0.511519 0.963419 0.670273 O\n0.963419 0.511519 0.670273 O\n0.154238 0.154238 0.898305 O\n0.846505 0.846505 0.388662 O\n0.035134 0.481036 0.163257 O\n0.481036 0.035134 0.163257 O\n0.325327 0.325327 0.400774 O\n0.164083 0.687197 0.893678 O\n0.478277 0.478277 0.176293 O\n0.687197 0.164083 0.893678 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Li-Mn-O-Sb",
"density": 4.809181175698775,
"density_atomic": 0.08703561851082794,
"volume": 321.7073708336613,
"volume_molar": 6.919168109606524,
"formula_full": "Li4 Mn3 Co2 Sb3 O16",
"formula_reduced": "Li4Mn3Co2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -195.13144029,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:19.447000Z",
"spacegroup": 8
},
{
"id": "mp-770951",
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{
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"structure_string": "Li4 Mn3 Cr3 Ni2 O16\n1.0\n2.904853 5.035672 0.000000\n-2.904853 5.035672 0.000000\n0.000000 0.049159 9.616661\nLi Mn Cr Ni O\n4 3 3 2 16\ndirect\n0.668392 0.668392 0.108934 Li\n0.998941 0.998941 0.001440 Li\n0.999211 0.999211 0.502349 Li\n0.335243 0.335243 0.608288 Li\n0.828750 0.828750 0.783108 Mn\n0.167786 0.660534 0.284656 Mn\n0.660534 0.167786 0.284656 Mn\n0.334924 0.830093 0.786575 Cr\n0.830093 0.334924 0.786575 Cr\n0.166568 0.166568 0.288801 Cr\n0.667227 0.667227 0.509283 Ni\n0.332733 0.332733 0.012799 Ni\n0.318340 0.844226 0.390857 O\n0.520440 0.520440 0.670530 O\n0.670072 0.670072 0.895431 O\n0.995902 0.995902 0.685989 O\n0.996126 0.996126 0.186712 O\n0.844226 0.318340 0.390857 O\n0.516811 0.964454 0.670464 O\n0.964454 0.516811 0.670464 O\n0.160240 0.160240 0.888858 O\n0.842622 0.842622 0.394594 O\n0.036696 0.480767 0.171865 O\n0.480767 0.036696 0.171865 O\n0.336970 0.336970 0.393858 O\n0.162906 0.681367 0.891097 O\n0.482781 0.482781 0.170189 O\n0.681367 0.162906 0.891097 O\n",
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"formula_full": "Li4 Mn3 Cr3 Ni2 O16",
"formula_reduced": "Li4Mn3Cr3(NiO8)2",
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{
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"created_at": "2022-09-04T14:43:13.514098Z",
"structure_string": "Li4 Mn3 Fe3 Sb2 O16\n1.0\n2.999503 5.207412 0.000000\n-2.999503 5.207412 0.000000\n0.000000 0.128277 9.800319\nLi Mn Fe Sb O\n4 3 3 2 16\ndirect\n0.667639 0.667639 0.094652 Li\n0.998716 0.998716 0.012032 Li\n0.999422 0.999422 0.512533 Li\n0.333853 0.333853 0.596437 Li\n0.829776 0.829776 0.789472 Mn\n0.170624 0.661473 0.288450 Mn\n0.661473 0.170624 0.288450 Mn\n0.339400 0.831530 0.786205 Fe\n0.831530 0.339400 0.786205 Fe\n0.170172 0.170172 0.284848 Fe\n0.666331 0.666331 0.515292 Sb\n0.334058 0.334058 0.014265 Sb\n0.335317 0.838139 0.405767 O\n0.516967 0.516967 0.654076 O\n0.670024 0.670024 0.889410 O\n0.994673 0.994673 0.699671 O\n0.995301 0.995301 0.201049 O\n0.838139 0.335317 0.405767 O\n0.509453 0.963607 0.651251 O\n0.963607 0.509453 0.651251 O\n0.167741 0.167741 0.904377 O\n0.833414 0.833414 0.410355 O\n0.035150 0.476140 0.152243 O\n0.476140 0.035150 0.152243 O\n0.339179 0.339179 0.385708 O\n0.171590 0.665545 0.906248 O\n0.483082 0.483082 0.147698 O\n0.665545 0.171590 0.906248 O\n",
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],
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"formula_full": "Li4 Mn3 Fe3 Sb2 O16",
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{
"id": "mp-774864",
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"structure_string": "Li4 Cr3 Ni3 Sn2 O16\n1.0\n2.956458 5.109876 0.000000\n-2.956458 5.109876 0.000000\n0.000000 0.135085 9.639172\nLi Cr Ni Sn O\n4 3 3 2 16\ndirect\n0.333822 0.333822 0.890783 Li\n0.000901 0.000901 0.993985 Li\n0.002180 0.002180 0.495367 Li\n0.665502 0.665502 0.394833 Li\n0.165673 0.657702 0.216890 Cr\n0.657702 0.165673 0.216890 Cr\n0.829065 0.829065 0.718534 Cr\n0.168865 0.168865 0.212518 Ni\n0.339334 0.831232 0.713699 Ni\n0.831232 0.339334 0.713699 Ni\n0.333161 0.333161 0.495598 Sn\n0.662678 0.662678 0.992166 Sn\n0.152531 0.681123 0.599598 O\n0.483321 0.483321 0.337852 O\n0.349046 0.349046 0.106913 O\n0.989738 0.989738 0.306897 O\n0.993327 0.993327 0.805471 O\n0.681123 0.152531 0.599598 O\n0.033838 0.493879 0.336872 O\n0.493879 0.033838 0.336872 O\n0.837407 0.837407 0.100647 O\n0.158248 0.158248 0.601210 O\n0.524876 0.968139 0.839404 O\n0.968139 0.524876 0.839404 O\n0.676736 0.676736 0.608415 O\n0.316006 0.832555 0.100075 O\n0.517475 0.517475 0.833574 O\n0.832555 0.316006 0.100075 O\n",
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}