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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=58",
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"results": [
{
"id": "mp-12084",
"created_at": "2022-09-04T14:43:52.981847Z",
"structure_string": "Lu1 Cr2 Si2\n1.0\n-1.904750 1.904750 5.304773\n1.904750 -1.904750 5.304773\n1.904750 1.904750 -5.304773\nLu Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.613472 0.613472 0.000000 Si\n0.386528 0.386528 0.000000 Si\n",
"nsites": 5,
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"elements": [
"Lu",
"Cr",
"Si"
],
"chemical_system": "Cr-Lu-Si",
"density": 7.228695032217235,
"density_atomic": 0.06494821864781021,
"volume": 76.98440548636324,
"volume_molar": 9.272218523275914,
"formula_full": "Lu1 Cr2 Si2",
"formula_reduced": "Lu(CrSi)2",
"formula_anonymous": "AB2C2",
"energy": -36.6545618,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:27.141000Z",
"spacegroup": 139
},
{
"id": "mp-1177007",
"created_at": "2022-09-04T14:43:54.017164Z",
"structure_string": "Li12 Mn6 V2 P12 O48\n1.0\n8.757801 0.000000 0.000000\n0.000000 8.704876 0.000000\n0.000000 0.272849 12.307313\nLi Mn V P O\n12 6 2 12 48\ndirect\n0.080542 0.325705 0.053635 Li\n0.694326 0.323824 0.991513 Li\n0.772163 0.458101 0.568858 Li\n0.272163 0.541899 0.431142 Li\n0.194326 0.676176 0.008487 Li\n0.580542 0.674295 0.946365 Li\n0.415031 0.827560 0.551114 Li\n0.805271 0.831353 0.484205 Li\n0.718817 0.959033 0.074903 Li\n0.218817 0.040967 0.925097 Li\n0.305271 0.168647 0.515795 Li\n0.915031 0.172440 0.448886 Li\n0.458087 0.494436 0.641128 Mn\n0.958087 0.505564 0.358872 Mn\n0.040472 0.996109 0.141439 Mn\n0.540472 0.003891 0.858561 Mn\n0.963554 0.998169 0.646652 Mn\n0.463554 0.001831 0.353348 Mn\n0.530297 0.495381 0.143848 V\n0.030297 0.504619 0.856152 V\n0.252494 0.287954 0.259967 P\n0.379720 0.352402 0.901182 P\n0.097222 0.349612 0.603406 P\n0.597222 0.650388 0.396594 P\n0.879720 0.647598 0.098818 P\n0.752494 0.712046 0.740033 P\n0.247822 0.789192 0.753388 P\n0.118043 0.855149 0.392219 P\n0.401605 0.851753 0.094108 P\n0.901605 0.148247 0.905892 P\n0.618043 0.144851 0.607781 P\n0.747822 0.210808 0.246612 P\n0.863877 0.293494 0.318544 O\n0.897143 0.330481 0.901400 O\n0.678578 0.323116 0.157040 O\n0.597181 0.317008 0.579593 O\n0.381445 0.359817 0.183175 O\n0.209149 0.398380 0.931732 O\n0.408276 0.392258 0.783523 O\n0.970436 0.392691 0.521104 O\n0.255372 0.401207 0.561170 O\n0.180582 0.422206 0.317665 O\n0.057468 0.417820 0.715439 O\n0.497412 0.442372 0.974595 O\n0.997412 0.557628 0.025405 O\n0.557468 0.582180 0.284561 O\n0.680582 0.577794 0.682335 O\n0.755372 0.598793 0.438830 O\n0.908276 0.607742 0.216477 O\n0.709149 0.601620 0.068268 O\n0.470436 0.607309 0.478896 O\n0.881445 0.640183 0.816825 O\n0.178578 0.676884 0.842960 O\n0.397143 0.669519 0.098600 O\n0.097181 0.682992 0.420407 O\n0.363877 0.706506 0.681456 O\n0.644597 0.793058 0.818159 O\n0.897182 0.820781 0.072825 O\n0.608416 0.830326 0.392107 O\n0.822665 0.821170 0.652583 O\n0.125354 0.852141 0.673881 O\n0.524848 0.888300 0.004291 O\n0.286278 0.896636 0.427920 O\n0.104594 0.881612 0.267942 O\n0.240109 0.896591 0.054193 O\n0.322578 0.920632 0.816035 O\n0.453373 0.923822 0.197944 O\n0.997625 0.950645 0.453576 O\n0.497625 0.049355 0.546424 O\n0.953373 0.076178 0.802056 O\n0.822578 0.079368 0.183965 O\n0.740109 0.103409 0.945807 O\n0.024848 0.111700 0.995709 O\n0.604594 0.118388 0.732058 O\n0.786278 0.103364 0.572080 O\n0.625354 0.147859 0.326119 O\n0.397182 0.179219 0.927175 O\n0.322665 0.178830 0.347417 O\n0.108416 0.169674 0.607893 O\n0.144597 0.206942 0.181841 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.928089588577074,
"density_atomic": 0.0852646629373467,
"volume": 938.2550431095326,
"volume_molar": 7.062879922981843,
"formula_full": "Li12 Mn6 V2 P12 O48",
"formula_reduced": "Li6Mn3V(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -606.39870534,
"energy_per_atom": -7.5799838167499995,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -560.01470534,
"band_gap": 0.0167000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.431000Z",
"spacegroup": 4
},
{
"id": "mp-850007",
"created_at": "2022-09-04T14:43:52.988048Z",
"structure_string": "Li7 V16 P24 O96\n1.0\n8.452875 0.000000 0.000000\n0.003523 8.696579 0.000000\n0.401960 0.003379 23.653473\nLi V P O\n7 16 24 96\ndirect\n0.194187 0.717126 0.911488 Li\n0.304313 0.217243 0.338687 Li\n0.305543 0.217240 0.838810 Li\n0.693213 0.782068 0.161429 Li\n0.694092 0.782671 0.661160 Li\n0.806257 0.282701 0.088941 Li\n0.804098 0.281836 0.588173 Li\n0.245167 0.968812 0.192969 V\n0.254553 0.469497 0.058074 V\n0.248760 0.540320 0.309267 V\n0.250136 0.027710 0.443084 V\n0.245250 0.969044 0.692459 V\n0.252526 0.469365 0.557093 V\n0.248798 0.536615 0.806643 V\n0.250774 0.036748 0.943844 V\n0.749175 0.963418 0.056650 V\n0.750869 0.463188 0.193722 V\n0.747789 0.531081 0.441499 V\n0.756513 0.032081 0.307267 V\n0.750107 0.963028 0.556491 V\n0.750618 0.463206 0.693594 V\n0.745359 0.531057 0.942661 V\n0.754549 0.030786 0.807649 V\n0.035821 0.251392 0.253933 P\n0.033641 0.250000 0.753765 P\n0.108718 0.117015 0.074506 P\n0.113136 0.387825 0.428928 P\n0.107909 0.117716 0.574104 P\n0.113261 0.388863 0.929313 P\n0.390378 0.615995 0.177125 P\n0.388476 0.886081 0.320840 P\n0.391654 0.617223 0.675625 P\n0.387177 0.888794 0.820926 P\n0.468586 0.748753 0.495987 P\n0.466431 0.750089 0.996268 P\n0.533660 0.250129 0.003924 P\n0.532271 0.250995 0.503271 P\n0.612972 0.111611 0.179205 P\n0.607926 0.382701 0.324451 P\n0.613189 0.111168 0.679017 P\n0.608335 0.383005 0.824257 P\n0.886889 0.611171 0.071057 P\n0.893696 0.882282 0.426008 P\n0.886352 0.610622 0.570854 P\n0.891913 0.882958 0.925831 P\n0.966951 0.749710 0.246405 P\n0.966224 0.749824 0.746151 P\n0.065535 0.827337 0.198975 O\n0.062365 0.603928 0.055145 O\n0.065661 0.826825 0.698798 O\n0.071988 0.923466 0.415530 O\n0.061396 0.635482 0.281377 O\n0.062324 0.602934 0.555217 O\n0.069879 0.912978 0.914156 O\n0.061145 0.633380 0.780674 O\n0.110081 0.135648 0.211667 O\n0.109813 0.136519 0.711379 O\n0.127163 0.293236 0.080619 O\n0.146206 0.070744 0.011816 O\n0.165171 0.222743 0.409266 O\n0.126125 0.293279 0.580747 O\n0.145357 0.071781 0.511121 O\n0.149453 0.500633 0.379976 O\n0.163272 0.227064 0.907704 O\n0.151075 0.509349 0.881413 O\n0.174859 0.332585 0.283543 O\n0.172317 0.332191 0.784283 O\n0.215488 0.024039 0.112852 O\n0.214248 0.023847 0.612495 O\n0.219551 0.429995 0.478864 O\n0.220430 0.432353 0.978514 O\n0.278577 0.932523 0.272667 O\n0.285595 0.524628 0.137089 O\n0.279558 0.931681 0.771382 O\n0.286130 0.523935 0.636104 O\n0.333294 0.844624 0.467015 O\n0.327666 0.832464 0.965570 O\n0.348866 0.006622 0.369622 O\n0.351210 0.568828 0.238793 O\n0.371367 0.792722 0.170327 O\n0.348764 0.723120 0.340764 O\n0.349257 0.009178 0.868409 O\n0.353080 0.570083 0.737698 O\n0.372508 0.793335 0.669038 O\n0.337074 0.726633 0.842201 O\n0.390745 0.636744 0.038373 O\n0.387058 0.638865 0.537200 O\n0.437496 0.103168 0.194992 O\n0.430219 0.135939 0.468625 O\n0.431152 0.411575 0.336700 O\n0.434430 0.326953 0.051051 O\n0.437279 0.103535 0.694610 O\n0.438781 0.133797 0.969265 O\n0.430108 0.412807 0.835581 O\n0.434001 0.327684 0.550679 O\n0.565237 0.673527 0.448366 O\n0.568916 0.586766 0.165284 O\n0.561468 0.866980 0.030577 O\n0.563931 0.901914 0.305221 O\n0.565721 0.673170 0.948825 O\n0.569471 0.587077 0.664086 O\n0.565343 0.861487 0.531232 O\n0.562855 0.896150 0.805007 O\n0.607890 0.362446 0.461051 O\n0.609993 0.363737 0.961513 O\n0.662391 0.273695 0.157619 O\n0.629799 0.207156 0.331356 O\n0.646521 0.429710 0.262471 O\n0.650832 0.990936 0.131510 O\n0.663004 0.272900 0.657417 O\n0.627812 0.206819 0.830571 O\n0.645982 0.429468 0.761643 O\n0.651499 0.991025 0.631091 O\n0.672620 0.167820 0.034348 O\n0.669314 0.164999 0.533309 O\n0.715580 0.476873 0.363414 O\n0.721848 0.069605 0.228277 O\n0.714757 0.476019 0.862670 O\n0.720754 0.067580 0.728157 O\n0.778995 0.568263 0.021680 O\n0.780014 0.567678 0.520955 O\n0.789197 0.976798 0.387577 O\n0.785012 0.975805 0.887059 O\n0.828111 0.667495 0.215903 O\n0.827494 0.667503 0.715524 O\n0.848715 0.490971 0.118641 O\n0.836591 0.773296 0.092393 O\n0.847639 0.489924 0.618254 O\n0.855620 0.927129 0.488740 O\n0.875154 0.707956 0.419063 O\n0.837414 0.772321 0.592483 O\n0.854177 0.929508 0.988105 O\n0.872548 0.706671 0.919335 O\n0.889563 0.864915 0.288114 O\n0.890281 0.863162 0.788378 O\n0.938936 0.366040 0.219070 O\n0.930339 0.086879 0.085701 O\n0.937218 0.394485 0.445189 O\n0.938709 0.366426 0.719201 O\n0.929819 0.087577 0.585427 O\n0.935715 0.173555 0.301123 O\n0.937322 0.396302 0.944868 O\n0.934465 0.172566 0.800925 O\n",
"nsites": 143,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.001515920351889,
"density_atomic": 0.08224097071381997,
"volume": 1738.7927058595617,
"volume_molar": 7.3225555434598295,
"formula_full": "Li7 V16 P24 O96",
"formula_reduced": "Li7V16(PO4)24",
"formula_anonymous": "A7B16C24D96",
"energy": -1139.46891598,
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"band_gap": 0.8331999999999999,
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"updated_at": "2021-11-28T01:36:25.466000Z",
"spacegroup": 1
},
{
"id": "mp-1224812",
"created_at": "2022-09-04T14:43:52.128836Z",
"structure_string": "Ga1 Co4\n1.0\n10.068144 -1.292679 0.000000\n10.068144 1.292679 0.000000\n9.902173 0.000000 2.232826\nGa Co\n1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.597937 0.597937 0.597937 Co\n0.200188 0.200188 0.200188 Co\n0.799812 0.799812 0.799812 Co\n0.402063 0.402063 0.402063 Co\n",
"nsites": 5,
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"elements": [
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"Co"
],
"chemical_system": "Co-Ga",
"density": 8.727150322827569,
"density_atomic": 0.08602902799205395,
"volume": 58.11991738953303,
"volume_molar": 7.000126469586792,
"formula_full": "Ga1 Co4",
"formula_reduced": "GaCo4",
"formula_anonymous": "AB4",
"energy": -31.24471259,
"energy_per_atom": -6.248942518,
"energy_above_hull": null,
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"energy_uncorrected": -31.24471259,
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"updated_at": "2021-11-28T01:36:21.826000Z",
"spacegroup": 166
},
{
"id": "mp-1218567",
"created_at": "2022-09-04T14:43:53.034637Z",
"structure_string": "Sr8 Fe2 Ru2 O13\n1.0\n6.456007 5.917031 0.000000\n-6.456007 5.917031 0.000000\n0.000000 2.262765 4.955403\nSr Fe Ru O\n8 2 2 13\ndirect\n0.776424 0.474124 0.630525 Sr\n0.019635 0.731976 0.869099 Sr\n0.268024 0.980365 0.130901 Sr\n0.525876 0.223576 0.369475 Sr\n0.731976 0.019635 0.869099 Sr\n0.980365 0.268024 0.130901 Sr\n0.223576 0.525876 0.369475 Sr\n0.474124 0.776424 0.630525 Sr\n0.873187 0.873187 0.375413 Fe\n0.126813 0.126813 0.624587 Fe\n0.379805 0.379805 0.864150 Ru\n0.620195 0.620195 0.135850 Ru\n0.980715 0.295153 0.638499 O\n0.215791 0.536071 0.874509 O\n0.463929 0.784209 0.125491 O\n0.704847 0.019285 0.361501 O\n0.536071 0.215791 0.874509 O\n0.784209 0.463929 0.125491 O\n0.019285 0.704847 0.361501 O\n0.295153 0.980715 0.638499 O\n0.500000 0.500000 0.500000 O\n0.736201 0.736201 0.747491 O\n0.000000 0.000000 0.000000 O\n0.263799 0.263799 0.252509 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-O-Ru-Sr",
"density": 5.363167900182617,
"density_atomic": 0.06603332961825656,
"volume": 378.5966896494059,
"volume_molar": 9.11985022535503,
"formula_full": "Sr8 Fe2 Ru2 O13",
"formula_reduced": "Sr8Fe2Ru2O13",
"formula_anonymous": "A2B2C8D13",
"energy": -174.74305002,
"energy_per_atom": -6.9897220008,
"energy_above_hull": null,
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"energy_uncorrected": -161.30005002,
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"updated_at": "2021-11-28T01:36:32.976000Z",
"spacegroup": 12
},
{
"id": "mp-1175886",
"created_at": "2022-09-04T14:43:54.047868Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.846482 -0.108225 1.866206\n2.104349 9.807242 -2.311468\n-0.202980 -0.133880 5.917097\nLi Mn Co O\n9 2 5 16\ndirect\n0.504874 0.120625 0.931776 Li\n0.499654 0.369815 0.312193 Li\n0.500142 0.629751 0.695601 Li\n0.495484 0.877741 0.072918 Li\n0.501988 0.122488 0.440912 Li\n0.495339 0.373617 0.805319 Li\n0.502185 0.629565 0.186767 Li\n0.496896 0.877437 0.555039 Li\n0.001181 0.998847 0.499989 Li\n0.998407 0.998648 0.004233 Mn\n0.996811 0.500846 0.247766 Mn\n0.994832 0.249869 0.372271 Co\n0.002357 0.499589 0.746446 Co\n0.005767 0.753847 0.136741 Co\n0.000054 0.241133 0.856823 Co\n0.001939 0.751952 0.622745 Co\n0.238190 0.067273 0.742893 O\n0.219583 0.318273 0.107624 O\n0.209915 0.560565 0.462797 O\n0.235193 0.819008 0.874058 O\n0.210060 0.069554 0.213961 O\n0.232302 0.324317 0.605390 O\n0.231772 0.567406 0.987966 O\n0.231142 0.807397 0.363099 O\n0.758123 0.175506 0.140113 O\n0.767589 0.434760 0.509441 O\n0.785902 0.678507 0.879979 O\n0.769062 0.928944 0.260918 O\n0.772035 0.199240 0.651290 O\n0.786572 0.440751 0.033042 O\n0.766308 0.681083 0.385599 O\n0.788341 0.931647 0.794292 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.223952665162147,
"density_atomic": 0.11258505550928216,
"volume": 284.2295529832708,
"volume_molar": 5.348969925678547,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.89968129,
"energy_per_atom": -6.5281150403125,
"energy_above_hull": null,
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"energy_uncorrected": -186.38168129,
"band_gap": 0.552,
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"updated_at": "2021-11-28T01:36:08.632000Z",
"spacegroup": 1
},
{
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}