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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10192",
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"results": [
{
"id": "mp-1100658",
"created_at": "2022-09-04T14:43:13.450414Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.480632 10.351723 0.000000\n-1.480632 10.351723 0.000000\n0.000000 2.885499 9.574745\nLi Mn Co O\n9 2 5 16\ndirect\n0.433394 0.433394 0.784575 Li\n0.313444 0.313444 0.461212 Li\n0.185661 0.185661 0.066564 Li\n0.808924 0.808924 0.927255 Li\n0.687774 0.687774 0.567784 Li\n0.563556 0.563556 0.194446 Li\n0.065039 0.065039 0.670217 Li\n0.936874 0.936874 0.333318 Li\n0.874382 0.874382 0.624242 Li\n0.002728 0.002728 0.995585 Mn\n0.375412 0.375412 0.124394 Mn\n0.745401 0.745401 0.256230 Co\n0.633319 0.633319 0.869245 Co\n0.491464 0.491464 0.508610 Co\n0.258570 0.258570 0.739672 Co\n0.118337 0.118337 0.380053 Co\n0.528292 0.528292 0.865364 O\n0.412122 0.412122 0.465567 O\n0.286773 0.286773 0.108075 O\n0.906676 0.906676 0.988111 O\n0.778263 0.778263 0.601396 O\n0.657433 0.657433 0.226814 O\n0.155072 0.155072 0.730133 O\n0.034527 0.034527 0.344813 O\n0.336347 0.336347 0.786897 O\n0.220907 0.220907 0.389116 O\n0.087885 0.087885 0.022299 O\n0.713397 0.713397 0.909710 O\n0.594744 0.594744 0.521102 O\n0.469980 0.469980 0.131678 O\n0.971869 0.971869 0.648918 O\n0.851433 0.851433 0.256604 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.090451890582896,
"density_atomic": 0.1090267315156206,
"volume": 293.5060012820366,
"volume_molar": 5.52354516757864,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -206.79145226,
"energy_per_atom": -6.462232883125,
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"updated_at": "2021-11-28T01:36:04.659000Z",
"spacegroup": 8
},
{
"id": "mp-761112",
"created_at": "2022-09-04T14:41:02.572093Z",
"structure_string": "Li4 V2 Cr2 P8 O28\n1.0\n8.227791 0.000000 0.000000\n0.000000 7.027206 0.000000\n0.000000 3.135113 9.215363\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.863009 0.676812 0.661523 Li\n0.363009 0.323188 0.338477 Li\n0.862827 0.676357 0.161730 Li\n0.362827 0.323643 0.838270 Li\n0.499459 0.729291 0.641939 V\n0.999459 0.270709 0.358061 V\n0.500204 0.727288 0.142641 Cr\n0.000204 0.272712 0.857359 Cr\n0.179792 0.521619 0.550375 P\n0.784635 0.086509 0.644886 P\n0.284635 0.913491 0.355114 P\n0.679792 0.478381 0.449625 P\n0.180573 0.522798 0.049566 P\n0.783140 0.084809 0.143001 P\n0.283140 0.915191 0.856999 P\n0.680573 0.477202 0.950434 P\n0.322282 0.853436 0.724505 O\n0.696919 0.885127 0.685033 O\n0.036548 0.481774 0.656666 O\n0.344046 0.504319 0.626889 O\n0.678260 0.605856 0.551512 O\n0.434947 0.917258 0.448331 O\n0.152409 0.753193 0.452769 O\n0.652409 0.246807 0.547231 O\n0.934947 0.082742 0.551669 O\n0.178260 0.394144 0.448488 O\n0.844046 0.495681 0.373111 O\n0.536548 0.518226 0.343334 O\n0.324173 0.852407 0.222954 O\n0.693340 0.883334 0.184225 O\n0.196919 0.114873 0.314967 O\n0.822282 0.146564 0.275495 O\n0.038302 0.481944 0.157048 O\n0.346014 0.509448 0.125633 O\n0.679719 0.606089 0.050581 O\n0.433624 0.917612 0.949278 O\n0.151357 0.754046 0.952799 O\n0.651357 0.245954 0.047201 O\n0.933624 0.082388 0.050722 O\n0.179719 0.393911 0.949419 O\n0.846014 0.490552 0.874367 O\n0.538302 0.518056 0.842952 O\n0.193340 0.116666 0.815775 O\n0.824173 0.147593 0.777046 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
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"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 2.896537940024361,
"density_atomic": 0.0825798886925605,
"volume": 532.8173808009007,
"volume_molar": 7.292502878539875,
"formula_full": "Li4 V2 Cr2 P8 O28",
"formula_reduced": "Li2VCr(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -346.02334207,
"energy_per_atom": -7.864166865227273,
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"energy_uncorrected": -319.38934207,
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"updated_at": "2021-11-28T01:35:09.490000Z",
"spacegroup": 4
},
{
"id": "mp-1176081",
"created_at": "2022-09-04T14:39:35.045278Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.997556 0.000000 0.000000\n-0.364050 5.962832 0.000000\n-1.730795 -2.458444 9.624439\nLi Mn Co O\n9 2 5 16\ndirect\n0.259218 0.865143 0.743759 Li\n0.243490 0.386192 0.256085 Li\n0.741943 0.624952 0.743599 Li\n0.747137 0.128165 0.253568 Li\n0.244334 0.372915 0.747288 Li\n0.260928 0.866219 0.254653 Li\n0.749809 0.127557 0.747365 Li\n0.748202 0.632546 0.254450 Li\n0.498962 0.747314 0.498729 Li\n0.999381 0.996036 0.998551 Mn\n0.499291 0.253342 0.000364 Mn\n0.010703 0.508971 0.502014 Co\n0.500357 0.747307 0.999400 Co\n0.504766 0.251164 0.500442 Co\n0.000253 0.502761 0.001697 Co\n0.996114 0.993936 0.497014 Co\n0.134727 0.178808 0.881293 O\n0.111288 0.666997 0.380970 O\n0.635125 0.921766 0.879503 O\n0.638978 0.423827 0.392933 O\n0.142322 0.674230 0.886973 O\n0.125641 0.210292 0.398469 O\n0.641207 0.434317 0.884815 O\n0.644481 0.953288 0.388235 O\n0.347138 0.549104 0.613600 O\n0.363281 0.070249 0.117461 O\n0.857698 0.329815 0.616624 O\n0.858969 0.817030 0.115523 O\n0.366157 0.073408 0.607357 O\n0.360044 0.576762 0.117281 O\n0.904080 0.792000 0.604022 O\n0.863978 0.323589 0.115965 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.186032614428436,
"density_atomic": 0.11157433608243324,
"volume": 286.8043057532316,
"volume_molar": 5.397424686937621,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.63600933,
"energy_per_atom": -6.4886252915625,
"energy_above_hull": null,
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"energy_uncorrected": -185.11800933,
"band_gap": 0.0,
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"total_magnetization": 10.0000091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.799000Z",
"spacegroup": 1
},
{
"id": "mp-16553",
"created_at": "2022-09-04T14:48:09.807195Z",
"structure_string": "Na2 Ca18 Mn2 P14 O56\n1.0\n12.851157 -5.240910 0.000000\n12.851157 5.240910 0.000000\n10.713830 0.000000 8.822314\nNa Ca Mn P O\n2 18 2 14 56\ndirect\n0.686830 0.686830 0.686830 Na\n0.186830 0.186830 0.186830 Na\n0.947085 0.559315 0.972066 Ca\n0.160286 0.564235 0.575196 Ca\n0.575196 0.160286 0.564235 Ca\n0.559315 0.972066 0.947085 Ca\n0.972066 0.947085 0.559315 Ca\n0.472066 0.059315 0.447085 Ca\n0.059315 0.447085 0.472066 Ca\n0.447085 0.472066 0.059315 Ca\n0.348627 0.907686 0.939675 Ca\n0.907686 0.939675 0.348627 Ca\n0.564235 0.575196 0.160286 Ca\n0.439675 0.407686 0.848627 Ca\n0.407686 0.848627 0.439675 Ca\n0.848627 0.439675 0.407686 Ca\n0.660286 0.075196 0.064235 Ca\n0.075196 0.064235 0.660286 Ca\n0.064235 0.660286 0.075196 Ca\n0.939675 0.348627 0.907686 Ca\n0.001044 0.001044 0.001044 Mn\n0.501044 0.501044 0.501044 Mn\n0.809239 0.325522 0.770642 P\n0.226784 0.183844 0.686138 P\n0.183844 0.686138 0.226784 P\n0.686138 0.226784 0.183844 P\n0.325522 0.770642 0.809239 P\n0.770642 0.809239 0.325522 P\n0.726784 0.186138 0.683844 P\n0.309239 0.270642 0.825522 P\n0.270642 0.825522 0.309239 P\n0.825522 0.309239 0.270642 P\n0.766502 0.766502 0.766502 P\n0.266502 0.266502 0.266502 P\n0.683844 0.726784 0.186138 P\n0.186138 0.683844 0.726784 P\n0.114326 0.670689 0.690236 O\n0.670689 0.690236 0.114326 O\n0.690236 0.114326 0.670689 O\n0.190236 0.170689 0.614326 O\n0.170689 0.614326 0.190236 O\n0.614326 0.190236 0.170689 O\n0.362820 0.618273 0.640058 O\n0.618273 0.640058 0.362820 O\n0.640058 0.362820 0.618273 O\n0.140058 0.118273 0.862820 O\n0.118273 0.862820 0.140058 O\n0.862820 0.140058 0.118273 O\n0.126605 0.854020 0.673061 O\n0.854020 0.673061 0.126605 O\n0.673061 0.126605 0.854020 O\n0.173061 0.354020 0.626605 O\n0.354020 0.626605 0.173061 O\n0.626605 0.173061 0.354020 O\n0.144873 0.588858 0.899459 O\n0.588858 0.899459 0.144873 O\n0.899459 0.144873 0.588858 O\n0.399459 0.088858 0.644873 O\n0.382960 0.844567 0.635584 O\n0.088858 0.644873 0.399459 O\n0.149504 0.869421 0.875553 O\n0.869421 0.875553 0.149504 O\n0.875553 0.149504 0.869421 O\n0.375553 0.369421 0.649504 O\n0.369421 0.649504 0.375553 O\n0.649504 0.375553 0.369421 O\n0.338073 0.608275 0.892539 O\n0.608275 0.892539 0.338073 O\n0.892539 0.338073 0.608275 O\n0.392539 0.108275 0.838073 O\n0.108275 0.838073 0.392539 O\n0.838073 0.392539 0.108275 O\n0.307857 0.307857 0.307857 O\n0.807857 0.807857 0.807857 O\n0.254728 0.111334 0.392066 O\n0.392066 0.254728 0.111334 O\n0.111334 0.392066 0.254728 O\n0.611334 0.754728 0.892066 O\n0.892066 0.611334 0.754728 O\n0.754728 0.892066 0.611334 O\n0.914889 0.351553 0.255401 O\n0.255401 0.914889 0.351553 O\n0.351553 0.255401 0.914889 O\n0.851553 0.414889 0.755401 O\n0.755401 0.851553 0.414889 O\n0.414889 0.755401 0.851553 O\n0.882960 0.135584 0.344567 O\n0.344567 0.882960 0.135584 O\n0.135584 0.344567 0.882960 O\n0.635584 0.382960 0.844567 O\n0.844567 0.635584 0.382960 O\n0.644873 0.399459 0.088858 O\n",
"nsites": 92,
"nelements": 5,
"elements": [
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"Ca",
"Mn",
"P",
"O"
],
"chemical_system": "Ca-Mn-Na-O-P",
"density": 3.0836294609500263,
"density_atomic": 0.07741522665142503,
"volume": 1188.396701520301,
"volume_molar": 7.779013277472781,
"formula_full": "Na2 Ca18 Mn2 P14 O56",
"formula_reduced": "NaCa9Mn(PO4)7",
"formula_anonymous": "ABC7D9E28",
"energy": -706.57196576,
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"updated_at": "2021-11-28T01:38:31.174000Z",
"spacegroup": 161
},
{
"id": "mp-1175067",
"created_at": "2022-09-04T14:40:42.803875Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n3.006264 0.000000 0.000000\n0.134201 5.008949 0.000000\n0.314548 0.588569 14.436844\nLi Mn Co O\n7 2 3 12\ndirect\n0.999005 0.676628 0.823245 Li\n0.508574 0.500633 0.506559 Li\n0.002661 0.333670 0.169976 Li\n0.490820 0.165083 0.823547 Li\n0.994719 0.989840 0.506163 Li\n0.502742 0.834463 0.170128 Li\n0.500657 0.833914 0.665407 Li\n0.998706 0.001117 0.998181 Mn\n0.498368 0.500870 0.998441 Mn\n0.001469 0.665403 0.336521 Co\n0.000246 0.333473 0.665462 Co\n0.501970 0.166042 0.336310 Co\n0.460064 0.825997 0.919023 O\n0.996790 0.627832 0.591527 O\n0.507460 0.489652 0.257995 O\n0.960015 0.328802 0.921775 O\n0.513737 0.186424 0.594373 O\n0.007629 0.988287 0.258428 O\n0.486643 0.481215 0.737178 O\n0.992984 0.339663 0.411590 O\n0.538863 0.174498 0.077404 O\n0.003366 0.038706 0.739795 O\n0.494022 0.842193 0.414128 O\n0.038489 0.675595 0.076845 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
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"density": 4.02739480861325,
"density_atomic": 0.11039902859361493,
"volume": 217.39321718441343,
"volume_molar": 5.454885642307452,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.24059651,
"energy_per_atom": -6.510024854583333,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:06.774000Z",
"spacegroup": 1
},
{
"id": "mp-1523312",
"created_at": "2022-09-04T14:47:38.866300Z",
"structure_string": "Sr1 Eu1 Cr1 Sb1 O6\n1.0\n0.000000 -4.008910 -4.008910\n4.008910 0.000000 -4.008910\n4.008910 -4.008910 -0.000000\nSr Eu Cr Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Sb\n0.748390 0.251610 0.251610 O\n0.251610 0.748390 0.748390 O\n0.748390 0.251610 0.748390 O\n0.251610 0.748390 0.251610 O\n0.748390 0.748390 0.251610 O\n0.251610 0.251610 0.748390 O\n",
"nsites": 10,
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"elements": [
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"Eu",
"Cr",
"Sb",
"O"
],
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"density": 6.563643461982072,
"density_atomic": 0.07760524690488409,
"volume": 128.85726672909598,
"volume_molar": 7.759965981914808,
"formula_full": "Sr1 Eu1 Cr1 Sb1 O6",
"formula_reduced": "SrEuCrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.80808444,
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"updated_at": "2021-11-28T01:38:20.123000Z",
"spacegroup": 216
},
{
"id": "mp-755862",
"created_at": "2022-09-04T14:44:10.350204Z",
"structure_string": "Li2 Mn2 Co6 O16\n1.0\n2.799642 -2.874240 4.110659\n3.193230 2.812403 -4.206240\n2.680586 8.576615 4.159037\nLi Mn Co O\n2 2 6 16\ndirect\n0.746827 0.496212 0.253951 Li\n0.251659 0.504556 0.745015 Li\n0.499172 0.000532 0.499846 Mn\n0.000984 0.999698 0.000079 Mn\n0.999957 0.001702 0.500148 Co\n0.500588 0.998950 0.000155 Co\n0.749120 0.002137 0.247796 Co\n0.251103 0.997863 0.752375 Co\n0.252093 0.001178 0.247763 Co\n0.747537 0.998008 0.752398 Co\n0.097275 0.192782 0.138277 O\n0.594417 0.190204 0.641897 O\n0.904674 0.807117 0.861407 O\n0.404205 0.809499 0.358750 O\n0.095723 0.193088 0.645236 O\n0.596354 0.191955 0.138341 O\n0.903285 0.808482 0.354956 O\n0.404465 0.806313 0.861794 O\n0.835754 0.202093 0.377967 O\n0.345933 0.193831 0.883843 O\n0.358911 0.199725 0.378880 O\n0.849125 0.193769 0.883936 O\n0.639500 0.801181 0.620533 O\n0.152294 0.805082 0.116460 O\n0.162239 0.799405 0.621658 O\n0.656804 0.804640 0.116541 O\n",
"nsites": 26,
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"elements": [
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"Co",
"O"
],
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"volume": 285.91396902925516,
"volume_molar": 6.622362179786365,
"formula_full": "Li2 Mn2 Co6 O16",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
"energy": -181.80252922,
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"updated_at": "2021-11-28T01:36:27.809000Z",
"spacegroup": 12
},
{
"id": "mp-1048639",
"created_at": "2022-09-04T14:46:10.520086Z",
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"formula_full": "Sr3 Mg1 Fe2 S2 O5",
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{
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"structure_string": "Li4 V6 Te2 O16\n1.0\n-3.025747 5.240229 0.009782\n-3.040171 -1.736453 9.879004\n3.209250 5.346309 0.075795\nLi V Te O\n4 6 2 16\ndirect\n0.306592 0.565742 0.386956 Li\n0.807234 0.063884 0.387400 Li\n0.193374 0.934259 0.613020 Li\n0.692712 0.436120 0.612585 Li\n0.249996 0.750039 0.000009 V\n0.750107 0.750012 0.000161 V\n0.250055 0.249951 0.000038 V\n0.749974 0.249985 0.999984 V\n0.000267 0.499416 0.999270 V\n0.499693 0.000588 0.000752 V\n0.749988 0.750016 0.499993 Te\n0.250055 0.250016 0.499944 Te\n0.100306 0.632412 0.799485 O\n0.600761 0.133345 0.798131 O\n0.399664 0.867596 0.200513 O\n0.899288 0.366628 0.201791 O\n0.889873 0.858691 0.236178 O\n0.392831 0.359799 0.236511 O\n0.110836 0.627976 0.236943 O\n0.609344 0.126353 0.234183 O\n0.647206 0.635006 0.235028 O\n0.151346 0.129587 0.234537 O\n0.852805 0.864988 0.764961 O\n0.348620 0.370384 0.765498 O\n0.389149 0.872065 0.763090 O\n0.890675 0.373650 0.765773 O\n0.610077 0.641331 0.763826 O\n0.107170 0.140164 0.763441 O\n",
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],
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"formula_full": "Li4 V6 Te2 O16",
"formula_reduced": "Li2V3TeO8",
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},
{
"id": "mp-505110",
"created_at": "2022-09-04T14:43:58.117799Z",
"structure_string": "Fe2 Cu2 O4\n1.0\n1.532659 -2.654644 0.000000\n1.532659 2.654644 0.000000\n0.000000 0.000000 11.545838\nFe Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.409970 O\n0.666667 0.333333 0.909970 O\n0.666667 0.333333 0.590030 O\n0.333333 0.666667 0.090030 O\n",
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"formula_full": "Fe2 Cu2 O4",
"formula_reduced": "FeCuO2",
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"updated_at": "2021-11-28T01:36:09.790000Z",
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},
{
"id": "mp-1174884",
"created_at": "2022-09-04T14:43:39.918904Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.130767 0.000000 0.000000\n1.727222 5.608166 0.000000\n1.756475 1.034205 7.386069\nLi Mn Co O\n7 2 3 12\ndirect\n0.503669 0.162487 0.834407 Li\n0.499332 0.007468 0.489852 Li\n0.494975 0.844402 0.169043 Li\n0.500841 0.667945 0.832429 Li\n0.502305 0.493068 0.495610 Li\n0.499341 0.325596 0.177751 Li\n0.000797 0.167057 0.332308 Li\n0.004753 0.003013 0.002189 Mn\n0.999930 0.329126 0.662456 Mn\n0.001605 0.833362 0.661141 Co\n0.002481 0.673421 0.341460 Co\n0.992120 0.496162 0.017052 Co\n0.777511 0.317366 0.912829 O\n0.784663 0.154360 0.592822 O\n0.769552 0.993539 0.234724 O\n0.791791 0.840223 0.905373 O\n0.755428 0.635394 0.586427 O\n0.763571 0.513317 0.237890 O\n0.233549 0.022599 0.755833 O\n0.225969 0.823389 0.426490 O\n0.231774 0.685531 0.078064 O\n0.204076 0.508133 0.749085 O\n0.229535 0.339581 0.430709 O\n0.230431 0.163461 0.074057 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "mp-1176257",
"created_at": "2022-09-04T14:48:31.101832Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.997026 0.000000 0.000000\n-0.183867 5.003449 0.000000\n-0.531880 -1.027584 19.289564\nLi Mn Co O\n9 2 5 16\ndirect\n0.994266 0.379203 0.123419 Li\n0.489871 0.628294 0.381623 Li\n0.995688 0.882944 0.620516 Li\n0.498911 0.126315 0.872154 Li\n0.504128 0.870685 0.126306 Li\n0.003059 0.113302 0.383840 Li\n0.509792 0.373929 0.619821 Li\n0.002691 0.622345 0.873756 Li\n0.500555 0.999690 0.500596 Li\n0.000876 0.999907 0.999775 Mn\n0.497566 0.249605 0.251248 Mn\n0.000420 0.500212 0.500246 Co\n0.500963 0.750398 0.748790 Co\n0.501586 0.499755 0.999557 Co\n0.997167 0.749987 0.251571 Co\n0.000823 0.250762 0.747896 Co\n0.465613 0.198871 0.058560 O\n0.972192 0.442718 0.307340 O\n0.515464 0.667937 0.554243 O\n0.005633 0.944277 0.806761 O\n0.965829 0.689343 0.057391 O\n0.466525 0.938337 0.308861 O\n0.996857 0.225677 0.555765 O\n0.509103 0.441008 0.806641 O\n0.532618 0.561256 0.193568 O\n0.003717 0.776443 0.444323 O\n0.492381 0.057982 0.690250 O\n0.034217 0.311467 0.942580 O\n0.027064 0.052723 0.193054 O\n0.486224 0.331276 0.445543 O\n0.993761 0.560936 0.692359 O\n0.534439 0.802418 0.941647 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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}
]
}