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{
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"results": [
{
"id": "mp-1661623",
"created_at": "2022-09-04T14:48:01.635863Z",
"structure_string": "Li8 Ti6 V6 Te4 O32\n1.0\n3.118667 5.224527 0.005785\n-9.074768 5.064408 0.010334\n-0.003908 0.014110 10.280178\nLi Ti V Te O\n8 6 6 4 32\ndirect\n0.492788 0.169715 0.905680 Li\n0.992625 0.669739 0.905808 Li\n0.005693 0.997089 0.985987 Li\n0.505703 0.497015 0.986116 Li\n0.002156 0.999033 0.495168 Li\n0.502200 0.498857 0.495135 Li\n0.506179 0.832088 0.395308 Li\n0.006181 0.332155 0.395463 Li\n0.265868 0.909288 0.732204 Ti\n0.765964 0.409234 0.732295 Ti\n0.512382 0.327865 0.219779 Ti\n0.012389 0.827855 0.219781 Ti\n0.263881 0.079358 0.219342 Ti\n0.763900 0.579273 0.219366 Ti\n0.246898 0.584729 0.207713 V\n0.239795 0.415330 0.717282 V\n0.497243 0.672396 0.716939 V\n0.746882 0.084763 0.207631 V\n0.739861 0.914861 0.717448 V\n0.997906 0.172758 0.717013 V\n0.500815 0.164164 0.511575 Te\n0.000425 0.664207 0.511424 Te\n0.517124 0.828263 0.995765 Te\n0.017469 0.328256 0.995680 Te\n0.271939 0.242481 0.320118 O\n0.771962 0.742525 0.320169 O\n0.488797 0.170872 0.108593 O\n0.988806 0.670833 0.108655 O\n0.001939 0.999273 0.311063 O\n0.501949 0.499252 0.311111 O\n0.007565 0.991279 0.803958 O\n0.507714 0.491014 0.804192 O\n0.214579 0.929210 0.108539 O\n0.714604 0.429254 0.108637 O\n0.753382 0.077200 0.598430 O\n0.253339 0.577239 0.597980 O\n0.487051 0.845480 0.609720 O\n0.987051 0.345717 0.609561 O\n0.722088 0.766803 0.854597 O\n0.222293 0.266877 0.854773 O\n0.498958 0.331226 0.603973 O\n0.998885 0.831233 0.603946 O\n0.250002 0.081725 0.600852 O\n0.749869 0.581667 0.600877 O\n0.736177 0.249312 0.312169 O\n0.236160 0.749333 0.312159 O\n0.493616 0.008390 0.313579 O\n0.993568 0.508421 0.313725 O\n0.488638 0.990512 0.832463 O\n0.988750 0.490623 0.832418 O\n0.257715 0.761580 0.836707 O\n0.758255 0.261549 0.836868 O\n0.767475 0.918103 0.096056 O\n0.267666 0.418173 0.096183 O\n0.508572 0.657446 0.093896 O\n0.008607 0.157402 0.093813 O\n",
"nsites": 56,
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"elements": [
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"V",
"Te",
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],
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"density": 4.2698043373422765,
"density_atomic": 0.08618523822377719,
"volume": 649.7632443110247,
"volume_molar": 6.987438781991536,
"formula_full": "Li8 Ti6 V6 Te4 O32",
"formula_reduced": "Li4Ti3V3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -431.7974247,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.414000Z",
"spacegroup": 1
},
{
"id": "mp-758042",
"created_at": "2022-09-04T14:47:07.512888Z",
"structure_string": "Li4 Fe3 Co3 Sb2 O16\n1.0\n2.942976 5.094160 0.000000\n-2.942976 5.094160 0.000000\n0.000000 0.200127 9.593250\nLi Fe Co Sb O\n4 3 3 2 16\ndirect\n0.661501 0.661501 0.094769 Li\n0.005720 0.005720 0.007663 Li\n0.007531 0.007531 0.509644 Li\n0.328975 0.328975 0.601225 Li\n0.830991 0.830991 0.785865 Fe\n0.170498 0.661415 0.285768 Fe\n0.661415 0.170498 0.285768 Fe\n0.342138 0.829984 0.785891 Co\n0.829984 0.342138 0.785891 Co\n0.173437 0.173437 0.285054 Co\n0.665476 0.665476 0.514887 Sb\n0.332276 0.332276 0.008484 Sb\n0.332774 0.837761 0.402513 O\n0.516906 0.516906 0.667909 O\n0.661365 0.661365 0.888536 O\n0.006349 0.006349 0.696362 O\n0.008223 0.008223 0.195538 O\n0.837761 0.332774 0.402513 O\n0.507409 0.963017 0.658079 O\n0.963017 0.507409 0.658079 O\n0.164307 0.164307 0.897257 O\n0.836091 0.836091 0.409456 O\n0.032730 0.472972 0.156735 O\n0.472972 0.032730 0.156735 O\n0.330501 0.330501 0.393741 O\n0.165296 0.674223 0.903926 O\n0.479967 0.479967 0.149990 O\n0.674223 0.165296 0.903926 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Fe-Li-O-Sb",
"density": 5.0317115450935574,
"density_atomic": 0.0973426066236317,
"volume": 287.6438280336998,
"volume_molar": 6.186541504157765,
"formula_full": "Li4 Fe3 Co3 Sb2 O16",
"formula_reduced": "Li4Fe3Co3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -192.6542915,
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"energy_above_hull": null,
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"energy_uncorrected": -169.9802915,
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"updated_at": "2021-11-28T01:37:57.193000Z",
"spacegroup": 8
},
{
"id": "mp-754442",
"created_at": "2022-09-04T14:46:58.906214Z",
"structure_string": "Li4 Cu2 Ni3 Sb3 O16\n1.0\n3.014581 5.261396 0.000000\n-3.014581 5.261396 0.000000\n0.000000 0.414549 9.660368\nLi Cu Ni Sb O\n4 2 3 3 16\ndirect\n0.670315 0.670315 0.114320 Li\n0.974068 0.974068 0.014062 Li\n0.986817 0.986817 0.496221 Li\n0.328591 0.328591 0.597589 Li\n0.674865 0.674865 0.504975 Cu\n0.351518 0.351518 0.025098 Cu\n0.829104 0.829104 0.784172 Ni\n0.174135 0.663055 0.286730 Ni\n0.663055 0.174135 0.286730 Ni\n0.335887 0.828884 0.785565 Sb\n0.828884 0.335887 0.785565 Sb\n0.173322 0.173322 0.286407 Sb\n0.331651 0.841383 0.400364 O\n0.512030 0.512030 0.664828 O\n0.659641 0.659641 0.899792 O\n0.001630 0.001630 0.681380 O\n0.005462 0.005462 0.194207 O\n0.841383 0.331651 0.400364 O\n0.509087 0.963249 0.659535 O\n0.963249 0.509087 0.659535 O\n0.152580 0.152580 0.897365 O\n0.836846 0.836846 0.392701 O\n0.043945 0.481328 0.154610 O\n0.481328 0.043945 0.154610 O\n0.331908 0.331908 0.394832 O\n0.168990 0.673908 0.901976 O\n0.485902 0.485902 0.166697 O\n0.673908 0.168990 0.901976 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Cu",
"Ni",
"Sb",
"O"
],
"chemical_system": "Cu-Li-Ni-O-Sb",
"density": 5.1597501296434904,
"density_atomic": 0.0913705874524104,
"volume": 306.44434692491785,
"volume_molar": 6.590896401029031,
"formula_full": "Li4 Cu2 Ni3 Sb3 O16",
"formula_reduced": "Li4Cu2Ni3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -169.98320848,
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"energy_uncorrected": -151.36820848,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.764000Z",
"spacegroup": 8
},
{
"id": "mp-780404",
"created_at": "2022-09-04T14:46:59.115434Z",
"structure_string": "Li4 Ti3 Fe3 Ni2 O16\n1.0\n2.960142 5.121963 0.000000\n-2.960142 5.121963 0.000000\n0.000000 0.088126 9.653678\nLi Ti Fe Ni O\n4 3 3 2 16\ndirect\n0.330489 0.330489 0.109811 Li\n0.004348 0.004348 0.002143 Li\n0.004796 0.004796 0.501083 Li\n0.664573 0.664573 0.607115 Li\n0.660414 0.166639 0.784815 Ti\n0.166639 0.660414 0.784815 Ti\n0.829189 0.829189 0.284532 Ti\n0.168116 0.168116 0.785643 Fe\n0.830116 0.337634 0.285833 Fe\n0.337634 0.830116 0.285833 Fe\n0.334549 0.334549 0.510298 Ni\n0.665669 0.665669 0.010540 Ni\n0.680991 0.165148 0.395258 O\n0.480886 0.480886 0.667181 O\n0.341288 0.341288 0.899486 O\n0.994788 0.994788 0.685454 O\n0.993887 0.993887 0.185618 O\n0.165148 0.680991 0.395258 O\n0.478720 0.037328 0.667205 O\n0.037328 0.478720 0.667205 O\n0.839000 0.839000 0.896181 O\n0.161724 0.161724 0.391751 O\n0.960967 0.513944 0.166928 O\n0.513944 0.960967 0.166928 O\n0.674854 0.674854 0.400755 O\n0.843464 0.319800 0.892985 O\n0.518125 0.518125 0.168700 O\n0.319800 0.843464 0.892985 O\n",
"nsites": 28,
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"elements": [
"Li",
"Ti",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Ti",
"density": 4.040418528190984,
"density_atomic": 0.09565027986374249,
"volume": 292.73306925904535,
"volume_molar": 6.295999100660001,
"formula_full": "Li4 Ti3 Fe3 Ni2 O16",
"formula_reduced": "Li4Ti3Fe3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -209.4217956,
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"updated_at": "2021-11-28T01:37:44.390000Z",
"spacegroup": 8
},
{
"id": "mp-754548",
"created_at": "2022-09-04T14:47:04.853016Z",
"structure_string": "Li4 Cr3 Fe3 Sn2 O16\n1.0\n5.845930 0.012144 0.018680\n-2.912434 5.045149 -0.000646\n0.030958 0.016598 9.695474\nLi Cr Fe Sn O\n4 3 3 2 16\ndirect\n0.336901 0.668481 0.891918 Li\n0.996675 0.998249 0.993390 Li\n0.996611 0.998221 0.495394 Li\n0.669815 0.335104 0.392093 Li\n0.168746 0.828048 0.215864 Cr\n0.168616 0.340673 0.215908 Cr\n0.336625 0.168367 0.715670 Cr\n0.660717 0.830394 0.214939 Fe\n0.830177 0.655618 0.715041 Fe\n0.830220 0.174555 0.715063 Fe\n0.335753 0.667802 0.493385 Sn\n0.664683 0.332322 0.992297 Sn\n0.154573 0.837587 0.602299 O\n0.033499 0.516605 0.337243 O\n0.339471 0.669734 0.108304 O\n0.995075 0.997591 0.308912 O\n0.988025 0.994153 0.806600 O\n0.154545 0.316741 0.602360 O\n0.489215 0.967830 0.333421 O\n0.489040 0.521433 0.333383 O\n0.315129 0.157707 0.100778 O\n0.686226 0.843150 0.607363 O\n0.522599 0.487927 0.832588 O\n0.522519 0.034891 0.832598 O\n0.670756 0.335160 0.610195 O\n0.837480 0.682405 0.103177 O\n0.968685 0.484390 0.834578 O\n0.837622 0.155163 0.103078 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Cr-Fe-Li-O-Sn",
"density": 4.899355621571107,
"density_atomic": 0.09780174108496456,
"volume": 286.2934717662664,
"volume_molar": 6.15749852016265,
"formula_full": "Li4 Cr3 Fe3 Sn2 O16",
"formula_reduced": "Li4Cr3Fe3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -206.02605071,
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"updated_at": "2021-11-28T01:37:57.017000Z",
"spacegroup": 8
},
{
"id": "mp-770974",
"created_at": "2022-09-04T14:47:07.487616Z",
"structure_string": "Li4 Mn3 Nb2 Cu3 O16\n1.0\n5.935036 0.072302 0.125822\n-2.904747 5.127881 -0.015581\n0.203290 0.089860 9.790276\nLi Mn Nb Cu O\n4 3 2 3 16\ndirect\n0.346283 0.676359 0.903860 Li\n0.989587 0.995534 0.993369 Li\n0.992790 0.994568 0.485755 Li\n0.675375 0.333187 0.402251 Li\n0.656910 0.830871 0.220446 Mn\n0.828577 0.662382 0.715150 Mn\n0.826229 0.164123 0.716104 Mn\n0.309648 0.644413 0.485105 Nb\n0.659647 0.335371 0.995447 Nb\n0.164623 0.830033 0.211130 Cu\n0.163503 0.335499 0.209602 Cu\n0.337829 0.168183 0.713822 Cu\n0.145758 0.816090 0.587737 O\n0.041786 0.499399 0.357549 O\n0.343022 0.670269 0.120874 O\n0.992847 0.999684 0.296025 O\n0.995379 0.995996 0.804372 O\n0.152855 0.322688 0.594895 O\n0.502612 0.969917 0.345716 O\n0.533792 0.557744 0.355050 O\n0.323486 0.180626 0.072966 O\n0.678923 0.841249 0.609503 O\n0.549294 0.514459 0.843174 O\n0.538760 0.041450 0.840137 O\n0.675875 0.337425 0.615642 O\n0.816138 0.663006 0.094691 O\n0.966238 0.481553 0.828488 O\n0.792233 0.138220 0.088975 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-Nb-O",
"density": 4.56873608400951,
"density_atomic": 0.09337721131427934,
"volume": 299.8590299057069,
"volume_molar": 6.4492617366043445,
"formula_full": "Li4 Mn3 Nb2 Cu3 O16",
"formula_reduced": "Li4Mn3Nb2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -203.94637985,
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"updated_at": "2021-11-28T01:37:54.030000Z",
"spacegroup": 1
},
{
"id": "mp-1177360",
"created_at": "2022-09-04T14:47:04.883321Z",
"structure_string": "Li4 Mn3 V3 Fe2 O16\n1.0\n5.914540 0.000000 0.000000\n2.935706 5.135094 0.000000\n0.289302 0.005090 9.608495\nLi Mn V Fe O\n4 3 3 2 16\ndirect\n0.664474 0.671336 0.105885 Li\n0.999147 0.009059 0.005495 Li\n0.004581 0.987237 0.504640 Li\n0.334193 0.333146 0.605224 Li\n0.830663 0.833380 0.788411 Mn\n0.664628 0.164443 0.287044 Mn\n0.169944 0.656790 0.284815 Mn\n0.829531 0.341871 0.785338 V\n0.336730 0.839009 0.784111 V\n0.174827 0.159044 0.284866 V\n0.669719 0.655138 0.508893 Fe\n0.326661 0.345787 0.010283 Fe\n0.868549 0.317987 0.401988 O\n0.516863 0.517728 0.664552 O\n0.663757 0.674887 0.893725 O\n0.996731 0.997323 0.691527 O\n0.998041 0.990708 0.192329 O\n0.328641 0.825192 0.393698 O\n0.960810 0.503113 0.663563 O\n0.501591 0.960368 0.657861 O\n0.160804 0.174574 0.895403 O\n0.845939 0.825287 0.403133 O\n0.452514 0.040128 0.157782 O\n0.034603 0.489638 0.167152 O\n0.336564 0.334420 0.389931 O\n0.675062 0.182723 0.902087 O\n0.474120 0.486213 0.160707 O\n0.180612 0.683174 0.901722 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O-V",
"density": 4.057555435664165,
"density_atomic": 0.0959474178962168,
"volume": 291.8265088726691,
"volume_molar": 6.276501121180723,
"formula_full": "Li4 Mn3 V3 Fe2 O16",
"formula_reduced": "Li4Mn3V3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -219.29176268,
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"updated_at": "2021-11-28T01:37:51.293000Z",
"spacegroup": 1
},
{
"id": "mp-772989",
"created_at": "2022-09-04T14:39:06.226724Z",
"structure_string": "Li4 Ti2 Mn3 Sn3 O16\n1.0\n3.080236 5.346881 0.000000\n-3.080236 5.346881 0.000000\n0.000000 0.167272 9.736095\nLi Ti Mn Sn O\n4 2 3 3 16\ndirect\n0.676007 0.676007 0.896863 Li\n0.987032 0.987032 0.988488 Li\n0.992270 0.992270 0.499858 Li\n0.332482 0.332482 0.398124 Li\n0.672139 0.672139 0.499181 Ti\n0.349890 0.349890 0.982195 Ti\n0.825762 0.825762 0.219412 Mn\n0.661851 0.173889 0.711975 Mn\n0.173889 0.661851 0.711975 Mn\n0.829355 0.333941 0.211412 Sn\n0.333941 0.829355 0.211412 Sn\n0.172700 0.172700 0.715716 Sn\n0.839307 0.337057 0.591008 O\n0.514196 0.514196 0.342440 O\n0.658897 0.658897 0.095353 O\n0.001719 0.001719 0.316836 O\n0.996261 0.996261 0.801718 O\n0.337057 0.839307 0.591008 O\n0.951624 0.527952 0.339498 O\n0.527952 0.951624 0.339498 O\n0.157483 0.157483 0.091922 O\n0.820738 0.820738 0.583678 O\n0.479024 0.045985 0.848300 O\n0.045985 0.479024 0.848300 O\n0.339164 0.339164 0.604651 O\n0.666464 0.150588 0.099848 O\n0.483569 0.483569 0.866138 O\n0.150588 0.666464 0.099848 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"Mn",
"Sn",
"O"
],
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{
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"structure_string": "Li8 Mn6 Co6 Sn4 O32\n1.0\n2.906946 5.102386 0.032152\n-8.785190 5.140057 0.040311\n-0.008878 0.063584 9.689407\nLi Mn Co Sn O\n8 6 6 4 32\ndirect\n0.506505 0.170892 0.899135 Li\n0.007754 0.670636 0.897753 Li\n0.001785 0.998930 0.994128 Li\n0.502037 0.496548 0.994885 Li\n0.000415 0.996520 0.492544 Li\n0.499145 0.495794 0.493019 Li\n0.499143 0.833443 0.394268 Li\n0.999789 0.332120 0.392215 Li\n0.246310 0.582507 0.215680 Mn\n0.744646 0.915628 0.715250 Mn\n0.246019 0.414827 0.716715 Mn\n0.743149 0.087679 0.213957 Mn\n0.503226 0.668281 0.714707 Mn\n0.001331 0.168309 0.714087 Mn\n0.496110 0.328623 0.214939 Co\n0.000067 0.832101 0.214562 Co\n0.253874 0.087518 0.214402 Co\n0.752963 0.582643 0.214009 Co\n0.254451 0.914790 0.714170 Co\n0.755281 0.414079 0.715359 Co\n0.491788 0.164724 0.489186 Sn\n0.998191 0.662386 0.492218 Sn\n0.496463 0.836994 0.991975 Sn\n0.000408 0.335292 0.993236 Sn\n0.500106 0.338571 0.605717 O\n0.000681 0.838780 0.604977 O\n0.274069 0.241022 0.330241 O\n0.778558 0.741546 0.337881 O\n0.499717 0.167881 0.112250 O\n0.014334 0.662981 0.107537 O\n0.997241 0.008154 0.307091 O\n0.491327 0.494441 0.307154 O\n0.996416 0.999136 0.806377 O\n0.497867 0.498951 0.807458 O\n0.233345 0.075749 0.598077 O\n0.735288 0.574443 0.598558 O\n0.720800 0.242155 0.331999 O\n0.233998 0.732767 0.338817 O\n0.497551 0.017593 0.328566 O\n0.010338 0.514383 0.335061 O\n0.237304 0.924392 0.104952 O\n0.736558 0.419585 0.104274 O\n0.746320 0.068847 0.593257 O\n0.249200 0.568180 0.598246 O\n0.495056 0.986645 0.827534 O\n0.995848 0.485265 0.829701 O\n0.276554 0.763935 0.836371 O\n0.777750 0.262233 0.837651 O\n0.504660 0.833480 0.612236 O\n0.005128 0.333556 0.612719 O\n0.752221 0.928343 0.101794 O\n0.261616 0.422102 0.104154 O\n0.743431 0.772996 0.845356 O\n0.244224 0.271718 0.845598 O\n0.492821 0.660442 0.100218 O\n0.999122 0.158764 0.101455 O\n",
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}