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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10187",
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"results": [
{
"id": "mp-753453",
"created_at": "2022-09-04T14:48:15.988553Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n7.418748 2.567263 0.000000\n-7.418748 2.567263 0.000000\n0.000000 1.743266 4.846568\nLi Ti Co O\n4 2 4 10\ndirect\n0.099728 0.900272 0.000000 Li\n0.499931 0.500069 0.000000 Li\n0.599624 0.400376 0.500000 Li\n0.795973 0.204027 0.500000 Li\n0.690768 0.309232 0.000000 Ti\n0.996424 0.003576 0.500000 Ti\n0.301083 0.698917 0.000000 Co\n0.199324 0.800676 0.500000 Co\n0.399830 0.600170 0.500000 Co\n0.903076 0.096924 0.000000 Co\n0.146971 0.332802 0.257307 O\n0.039103 0.446848 0.759386 O\n0.355126 0.152432 0.247147 O\n0.553152 0.960897 0.240614 O\n0.667198 0.853029 0.742693 O\n0.234419 0.235506 0.729257 O\n0.465578 0.064351 0.770192 O\n0.764494 0.765581 0.270743 O\n0.935649 0.534422 0.229808 O\n0.847568 0.644874 0.752853 O\n",
"nsites": 20,
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"elements": [
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"Ti",
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],
"chemical_system": "Co-Li-O-Ti",
"density": 4.670240238444527,
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"volume": 184.6142783918013,
"volume_molar": 5.558865853906269,
"formula_full": "Li4 Ti2 Co4 O10",
"formula_reduced": "Li2TiCo2O5",
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"energy": -145.56788169,
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"updated_at": "2021-11-28T01:38:51.119000Z",
"spacegroup": 5
},
{
"id": "mp-1521618",
"created_at": "2022-09-04T14:41:14.538552Z",
"structure_string": "Ca1 Eu1 Zr1 Mn1 O6\n1.0\n0.000000 -3.992666 -3.992666\n3.992666 -0.000000 -3.992666\n3.992666 -3.992666 0.000000\nCa Eu Zr Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.759261 0.240739 0.240739 O\n0.240739 0.759261 0.759261 O\n0.759261 0.240739 0.759261 O\n0.240739 0.759261 0.240739 O\n0.759261 0.759261 0.240739 O\n0.240739 0.240739 0.759261 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Eu",
"Zr",
"Mn",
"O"
],
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"density": 5.663963180321324,
"density_atomic": 0.07855630719848683,
"volume": 127.29722611238812,
"volume_molar": 7.666018140063488,
"formula_full": "Ca1 Eu1 Zr1 Mn1 O6",
"formula_reduced": "CaEuZrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -89.94537027999999,
"energy_per_atom": -8.994537028,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.376000Z",
"spacegroup": 216
},
{
"id": "mp-768596",
"created_at": "2022-09-04T14:40:15.493679Z",
"structure_string": "Li4 Mn2 V2 P6 O24\n1.0\n8.980826 -0.076917 0.062302\n-0.105207 8.257076 0.102782\n3.678033 4.134566 6.272755\nLi Mn V P O\n4 2 2 6 24\ndirect\n0.375200 0.191714 0.367559 Li\n0.865902 0.679208 0.061499 Li\n0.884687 0.928388 0.375193 Li\n0.878634 0.248794 0.811395 Li\n0.563887 0.860869 0.285025 Mn\n0.430008 0.135885 0.724760 Mn\n0.048180 0.356104 0.298787 V\n0.963674 0.651710 0.690625 V\n0.248654 0.049715 0.208342 P\n0.251080 0.464734 0.496450 P\n0.253812 0.751112 0.792355 P\n0.754324 0.249286 0.207092 P\n0.748196 0.530688 0.504544 P\n0.752896 0.957625 0.777378 P\n0.101338 0.845712 0.378544 O\n0.262531 0.133183 0.994696 O\n0.193748 0.185475 0.292841 O\n0.185580 0.491591 0.343787 O\n0.100151 0.466182 0.686462 O\n0.099012 0.774730 0.743066 O\n0.418667 0.033738 0.211006 O\n0.281481 0.263417 0.587697 O\n0.421938 0.627716 0.368280 O\n0.182391 0.537937 0.998628 O\n0.262224 0.893598 0.857218 O\n0.418122 0.786165 0.603197 O\n0.578719 0.209727 0.390070 O\n0.742877 0.114426 0.128952 O\n0.818600 0.466874 0.012386 O\n0.574982 0.372009 0.640350 O\n0.733884 0.739292 0.391841 O\n0.578007 0.972919 0.799207 O\n0.893079 0.203231 0.275037 O\n0.885712 0.516486 0.318863 O\n0.817335 0.507542 0.656495 O\n0.819837 0.831482 0.685808 O\n0.745784 0.870972 0.992517 O\n0.893791 0.168873 0.616655 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9258303116916595,
"density_atomic": 0.08272686864024346,
"volume": 459.3429030325276,
"volume_molar": 7.27954636623398,
"formula_full": "Li4 Mn2 V2 P6 O24",
"formula_reduced": "Li2MnV(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -293.52658695,
"energy_per_atom": -7.724383867105264,
"energy_above_hull": null,
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"energy_uncorrected": -270.30258695,
"band_gap": 0.891,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.321000Z",
"spacegroup": 1
},
{
"id": "mp-1182494",
"created_at": "2022-09-04T14:45:18.436342Z",
"structure_string": "Be2 Cu2 O10 F8\n1.0\n5.821508 -0.382325 -3.231814\n-2.657521 10.226853 -1.160351\n0.389898 0.197219 5.288809\nBe Cu O F\n2 2 10 8\ndirect\n0.979371 0.725261 0.589346 Be\n0.020629 0.274739 0.410654 Be\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.852629 0.048454 0.674134 O\n0.147371 0.951546 0.325866 O\n0.610922 0.867377 0.901746 O\n0.389078 0.132623 0.098254 O\n0.548357 0.540819 0.952229 O\n0.451642 0.459181 0.047771 O\n0.914967 0.454326 0.931825 O\n0.085033 0.545674 0.068175 O\n0.572806 0.876244 0.107559 O\n0.427194 0.123756 0.892441 O\n0.055738 0.866267 0.804292 F\n0.944262 0.133733 0.195708 F\n0.721878 0.652651 0.557374 F\n0.278122 0.347349 0.442626 F\n0.153433 0.651588 0.722790 F\n0.846567 0.348412 0.277210 F\n0.949126 0.751180 0.296227 F\n0.050874 0.248820 0.703773 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Be",
"Cu",
"O",
"F"
],
"chemical_system": "Be-Cu-F-O",
"density": 2.331275656217217,
"density_atomic": 0.06757067866475765,
"volume": 325.5850086862363,
"volume_molar": 8.912357962065169,
"formula_full": "Be2 Cu2 O10 F8",
"formula_reduced": "BeCuO5F4",
"formula_anonymous": "ABC4D5",
"energy": -106.76348346,
"energy_per_atom": -4.852885611818182,
"energy_above_hull": null,
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"energy_uncorrected": -101.45748346,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.672000Z",
"spacegroup": 2
},
{
"id": "mp-753952",
"created_at": "2022-09-04T14:40:06.049718Z",
"structure_string": "Li4 V4 F14\n1.0\n5.509260 0.000000 0.000000\n0.956351 6.806724 0.000000\n2.516589 2.422401 8.097618\nLi V F\n4 4 14\ndirect\n0.120828 0.427846 0.267029 Li\n0.578857 0.254870 0.342021 Li\n0.421143 0.745130 0.657979 Li\n0.879172 0.572154 0.732971 Li\n0.297176 0.003968 0.176550 V\n0.782987 0.783494 0.300489 V\n0.217013 0.216506 0.699511 V\n0.702824 0.996032 0.823450 V\n0.399251 0.278623 0.173446 F\n0.150700 0.723543 0.202049 F\n0.687944 0.898665 0.082866 F\n0.894768 0.062157 0.271748 F\n0.750235 0.501827 0.301551 F\n0.196022 0.313962 0.475470 F\n0.422721 0.872166 0.396080 F\n0.577279 0.127834 0.603920 F\n0.803978 0.686038 0.524530 F\n0.249765 0.498173 0.698449 F\n0.105232 0.937843 0.728252 F\n0.312056 0.101335 0.917134 F\n0.849300 0.276457 0.797951 F\n0.600749 0.721377 0.826554 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.7205716049320983,
"density_atomic": 0.07244926530240227,
"volume": 303.6607743111306,
"volume_molar": 8.312217846328275,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy": -138.76388463,
"energy_per_atom": -6.307449301363636,
"energy_above_hull": null,
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"energy_uncorrected": -125.49588463,
"band_gap": 0.7864000000000001,
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"updated_at": "2021-11-28T01:34:49.767000Z",
"spacegroup": 2
},
{
"id": "mp-764462",
"created_at": "2022-09-04T14:39:25.864263Z",
"structure_string": "Li2 Mn2 V2 P8 O28\n1.0\n7.144742 0.000000 0.000000\n-0.190963 8.177211 0.000000\n-3.506262 -0.215068 9.017121\nLi Mn V P O\n2 2 2 8 28\ndirect\n0.672302 0.863232 0.750549 Li\n0.326387 0.358035 0.251651 Li\n0.266593 0.007414 0.741080 Mn\n0.277915 0.993167 0.243916 Mn\n0.718949 0.495707 0.755571 V\n0.725572 0.505716 0.255964 V\n0.091419 0.780756 0.936152 P\n0.484944 0.678302 0.940291 P\n0.522616 0.177822 0.558808 P\n0.089742 0.782679 0.436175 P\n0.913975 0.288508 0.562342 P\n0.482432 0.682731 0.441335 P\n0.518061 0.174701 0.059057 P\n0.909659 0.287617 0.063051 P\n0.252223 0.652193 0.921647 O\n0.085769 0.932678 0.844531 O\n0.391925 0.173740 0.894210 O\n0.510622 0.843408 0.880052 O\n0.528006 0.535833 0.852484 O\n0.842805 0.332652 0.898610 O\n0.888063 0.686654 0.872420 O\n0.108958 0.203679 0.611733 O\n0.142445 0.828433 0.599906 O\n0.481481 0.038402 0.648256 O\n0.515339 0.348022 0.625684 O\n0.607445 0.670670 0.609430 O\n0.901212 0.439245 0.657051 O\n0.751229 0.151421 0.572938 O\n0.250136 0.650664 0.423521 O\n0.094300 0.931823 0.343990 O\n0.390193 0.177196 0.394231 O\n0.507374 0.847345 0.384580 O\n0.518576 0.536981 0.351628 O\n0.842546 0.341345 0.398544 O\n0.891700 0.683053 0.379981 O\n0.111851 0.209741 0.118576 O\n0.140426 0.820353 0.099637 O\n0.470579 0.038019 0.146645 O\n0.513578 0.344320 0.131292 O\n0.606246 0.662101 0.107858 O\n0.908849 0.441068 0.158200 O\n0.750164 0.151717 0.076077 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
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"Mn",
"V",
"P",
"O"
],
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"density": 2.9043197862324215,
"density_atomic": 0.07972410232947436,
"volume": 526.8168442515333,
"volume_molar": 7.553726644813644,
"formula_full": "Li2 Mn2 V2 P8 O28",
"formula_reduced": "LiMnV(P2O7)2",
"formula_anonymous": "ABCD4E14",
"energy": -331.00925102,
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"updated_at": "2021-11-28T01:34:37.754000Z",
"spacegroup": 1
},
{
"id": "mp-779088",
"created_at": "2022-09-04T14:45:23.932154Z",
"structure_string": "Li4 Mn2 V2 P6 O24\n1.0\n9.186099 -0.180393 0.211868\n-0.200521 8.320082 0.039803\n3.817769 4.079135 6.167047\nLi Mn V P O\n4 2 2 6 24\ndirect\n0.139792 0.748843 0.172325 Li\n0.362774 0.189479 0.375463 Li\n0.861304 0.924670 0.407742 Li\n0.877792 0.242571 0.820409 Li\n0.569104 0.854026 0.285854 Mn\n0.438130 0.144651 0.710551 Mn\n0.046575 0.352136 0.299567 V\n0.957465 0.647198 0.704274 V\n0.249966 0.048438 0.206797 P\n0.246178 0.465042 0.493877 P\n0.259883 0.748439 0.777750 P\n0.750051 0.248903 0.215405 P\n0.759145 0.535965 0.502467 P\n0.747640 0.956879 0.788924 P\n0.094414 0.844627 0.371012 O\n0.272792 0.118217 0.986513 O\n0.187945 0.188611 0.279610 O\n0.195120 0.505302 0.324141 O\n0.089423 0.463836 0.685786 O\n0.124117 0.777583 0.709717 O\n0.410039 0.037114 0.216596 O\n0.267557 0.266068 0.584662 O\n0.416330 0.629370 0.367477 O\n0.187582 0.537684 0.983517 O\n0.266266 0.889347 0.847397 O\n0.437225 0.792055 0.586265 O\n0.567392 0.203623 0.405344 O\n0.740157 0.113354 0.140249 O\n0.816112 0.463038 0.021175 O\n0.587186 0.375564 0.627890 O\n0.749741 0.739791 0.392656 O\n0.581339 0.967524 0.797706 O\n0.880565 0.205187 0.288167 O\n0.913244 0.527412 0.318120 O\n0.810299 0.505129 0.671112 O\n0.821764 0.827401 0.706477 O\n0.733390 0.890624 0.004599 O\n0.896279 0.170252 0.618096 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9046223964816353,
"density_atomic": 0.08212722196603196,
"volume": 462.6967659482857,
"volume_molar": 7.3326975098351355,
"formula_full": "Li4 Mn2 V2 P6 O24",
"formula_reduced": "Li2MnV(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -293.78184773,
"energy_per_atom": -7.731101256052631,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:03.090000Z",
"spacegroup": 1
},
{
"id": "mp-1176657",
"created_at": "2022-09-04T14:41:46.791219Z",
"structure_string": "Li2 Mn2 Co2 O8\n1.0\n5.709855 0.000000 0.000000\n-0.100355 5.792057 0.000000\n-2.818755 -2.791439 4.289637\nLi Mn Co O\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.754971 0.215458 0.987704 O\n0.291792 0.775590 0.541157 O\n0.243897 0.216867 0.441228 O\n0.757299 0.783432 0.014395 O\n0.242701 0.216568 0.985605 O\n0.756103 0.783133 0.558772 O\n0.708208 0.224410 0.458843 O\n0.245029 0.784542 0.012296 O\n",
"nsites": 14,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.326390684294016,
"density_atomic": 0.09868464571368346,
"volume": 141.86604105180245,
"volume_molar": 6.102409059127806,
"formula_full": "Li2 Mn2 Co2 O8",
"formula_reduced": "LiMnCoO4",
"formula_anonymous": "ABCD4",
"energy": -99.70839809,
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"updated_at": "2021-11-28T01:35:21.257000Z",
"spacegroup": 2
},
{
"id": "mp-1013878",
"created_at": "2022-09-04T14:44:11.223550Z",
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},
{
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"elements": [
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},
{
"id": "mp-1176002",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.039589 0.000000 0.000000\n-1.921373 7.451755 0.000000\n-1.325138 -1.530529 7.646990\nLi Mn Co O\n9 2 5 16\ndirect\n0.495313 0.745548 0.745369 Li\n0.012892 0.381788 0.132549 Li\n0.497708 0.992944 0.498794 Li\n0.984051 0.869996 0.617040 Li\n0.500624 0.499483 0.005415 Li\n0.997368 0.127784 0.377726 Li\n0.000268 0.619078 0.874234 Li\n0.507350 0.263177 0.251781 Li\n0.497216 0.622708 0.372385 Li\n0.000497 0.001941 0.999960 Mn\n0.502288 0.870810 0.129965 Mn\n0.000380 0.249855 0.748207 Co\n0.005658 0.504757 0.496696 Co\n0.504938 0.130300 0.872049 Co\n0.994079 0.743591 0.250684 Co\n0.496513 0.383007 0.616448 Co\n0.737140 0.766608 0.998913 O\n0.239392 0.381720 0.394099 O\n0.755430 0.013666 0.743771 O\n0.270018 0.887895 0.902056 O\n0.771090 0.516013 0.251128 O\n0.253265 0.137660 0.640306 O\n0.247614 0.643594 0.130865 O\n0.759794 0.274003 0.495149 O\n0.227895 0.728998 0.511150 O\n0.750239 0.359387 0.862487 O\n0.259262 0.976879 0.251635 O\n0.745330 0.868399 0.344338 O\n0.236284 0.482349 0.746911 O\n0.745191 0.109284 0.113485 O\n0.752714 0.608182 0.622053 O\n0.252198 0.238594 0.002352 O\n",
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{
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"structure_string": "Ba4 Co8 Cl2 O14\n1.0\n15.429248 -2.871507 0.000000\n15.429248 2.871507 0.000000\n14.894838 0.000000 4.944801\nBa Co Cl O\n4 8 2 14\ndirect\n0.569906 0.569906 0.569906 Ba\n0.430094 0.430094 0.430094 Ba\n0.289081 0.289081 0.289081 Ba\n0.710919 0.710919 0.710919 Ba\n0.219763 0.219763 0.219763 Co\n0.897449 0.897449 0.897449 Co\n0.780237 0.780237 0.780237 Co\n0.500000 0.500000 0.500000 Co\n0.102551 0.102551 0.102551 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.639834 0.639834 0.639834 Cl\n0.360166 0.360166 0.360166 Cl\n0.550464 0.090940 0.090940 O\n0.349980 0.349980 0.866655 O\n0.133345 0.650020 0.650020 O\n0.909060 0.909060 0.449536 O\n0.090940 0.090940 0.550464 O\n0.090940 0.550464 0.090940 O\n0.349980 0.866655 0.349980 O\n0.854643 0.854643 0.854643 O\n0.650020 0.650020 0.133345 O\n0.449536 0.909060 0.909060 O\n0.866655 0.349980 0.349980 O\n0.650020 0.133345 0.650020 O\n0.909060 0.449536 0.909060 O\n0.145357 0.145357 0.145357 O\n",
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]
}