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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10209",
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"results": [
{
"id": "mp-1216388",
"created_at": "2022-09-04T14:44:11.383164Z",
"structure_string": "Zr18 Co5 Sn4\n1.0\n3.349441 0.000000 0.000000\n0.000000 8.013171 0.000000\n0.000000 4.002659 20.817269\nZr Co Sn\n18 5 4\ndirect\n0.000000 0.757349 0.000690 Zr\n0.000000 0.422301 0.664588 Zr\n0.000000 0.089018 0.331516 Zr\n0.000000 0.746252 0.748004 Zr\n0.000000 0.412452 0.414304 Zr\n0.000000 0.077473 0.083393 Zr\n0.000000 0.162937 0.920467 Zr\n0.000000 0.831154 0.584760 Zr\n0.000000 0.499747 0.252788 Zr\n0.500000 0.062594 0.665717 Zr\n0.500000 0.739347 0.348728 Zr\n0.500000 0.404681 0.015950 Zr\n0.500000 0.867458 0.868580 Zr\n0.500000 0.568176 0.520215 Zr\n0.500000 0.236430 0.188196 Zr\n0.500000 0.403921 0.798521 Zr\n0.500000 0.026872 0.462266 Zr\n0.500000 0.691354 0.130812 Zr\n0.500000 0.001550 0.001473 Co\n0.500000 0.665631 0.664863 Co\n0.500000 0.333508 0.333413 Co\n0.000000 0.778119 0.445278 Co\n0.000000 0.444071 0.110652 Co\n0.000000 0.548904 0.893565 Sn\n0.000000 0.227766 0.551031 Sn\n0.000000 0.889240 0.222467 Sn\n0.000000 0.111394 0.777763 Sn\n",
"nsites": 27,
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"elements": [
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"Co",
"Sn"
],
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"density": 7.167087485496225,
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"volume": 558.7280783415329,
"volume_molar": 12.46199679384081,
"formula_full": "Zr18 Co5 Sn4",
"formula_reduced": "Zr18Co5Sn4",
"formula_anonymous": "A4B5C18",
"energy": -215.94103445,
"energy_per_atom": -7.9978160907407405,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:30.065000Z",
"spacegroup": 6
},
{
"id": "mp-778494",
"created_at": "2022-09-04T14:44:11.603212Z",
"structure_string": "Li6 Mn1 Fe5 B6 O18\n1.0\n3.136993 0.000000 0.000000\n0.000000 8.241693 0.000000\n0.000000 0.015541 14.295312\nLi Mn Fe B O\n6 1 5 6 18\ndirect\n0.500000 0.706289 0.992421 Li\n0.500000 0.660008 0.358055 Li\n0.500000 0.635128 0.649836 Li\n0.500000 0.206635 0.492033 Li\n0.500000 0.156917 0.856236 Li\n0.500000 0.132879 0.151483 Li\n0.000000 0.366529 0.005758 Mn\n0.000000 0.864422 0.504158 Fe\n0.000000 0.823426 0.816242 Fe\n0.000000 0.813298 0.179937 Fe\n0.000000 0.323794 0.316357 Fe\n0.000000 0.312355 0.679784 Fe\n0.500000 0.999756 0.666555 B\n0.000000 0.998870 0.998967 B\n0.500000 0.000122 0.333421 B\n0.500000 0.500951 0.168650 B\n0.000000 0.500147 0.499744 B\n0.500000 0.500810 0.832130 B\n0.500000 0.988899 0.430488 O\n0.500000 0.981123 0.763193 O\n0.500000 0.863801 0.608715 O\n0.500000 0.860480 0.279337 O\n0.000000 0.845583 0.957762 O\n0.500000 0.654105 0.127969 O\n0.500000 0.651246 0.788441 O\n0.000000 0.640238 0.445505 O\n0.000000 0.511992 0.596799 O\n0.500000 0.491324 0.928851 O\n0.500000 0.483316 0.265413 O\n0.500000 0.362686 0.112113 O\n0.500000 0.359589 0.778868 O\n0.000000 0.348566 0.457352 O\n0.500000 0.154685 0.627178 O\n0.500000 0.151261 0.290650 O\n0.000000 0.136528 0.943337 O\n0.000000 0.012243 0.096261 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2738059660952894,
"density_atomic": 0.09740446819926032,
"volume": 369.5929012861586,
"volume_molar": 6.182612431783423,
"formula_full": "Li6 Mn1 Fe5 B6 O18",
"formula_reduced": "Li6MnFe5(BO3)6",
"formula_anonymous": "AB5C6D6E18",
"energy": -277.15818593,
"energy_per_atom": -7.698838498055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.84418593,
"band_gap": 2.8303000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.0328912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.414000Z",
"spacegroup": 6
},
{
"id": "mp-756463",
"created_at": "2022-09-04T14:44:11.649631Z",
"structure_string": "Mn3 Sb1 P4 O16\n1.0\n6.153508 0.000000 0.000000\n0.000000 5.040971 0.000000\n0.000000 0.200749 10.064427\nMn Sb P O\n3 1 4 16\ndirect\n0.500000 0.913555 0.286253 Mn\n0.500000 0.575488 0.790526 Mn\n0.000000 0.414427 0.212928 Mn\n0.000000 0.049842 0.714851 Sb\n0.000000 0.894455 0.389100 P\n0.000000 0.588968 0.911887 P\n0.500000 0.416837 0.104926 P\n0.500000 0.103444 0.593721 P\n0.000000 0.815235 0.538485 O\n0.198382 0.764883 0.319341 O\n0.801618 0.764883 0.319341 O\n0.500000 0.809715 0.632187 O\n0.500000 0.720405 0.124257 O\n0.194918 0.731742 0.837267 O\n0.805082 0.731742 0.837267 O\n0.000000 0.651988 0.059322 O\n0.500000 0.365458 0.954940 O\n0.697965 0.276338 0.172873 O\n0.302035 0.276338 0.172873 O\n0.000000 0.288313 0.892416 O\n0.000000 0.198986 0.374285 O\n0.695171 0.256552 0.659340 O\n0.304829 0.256552 0.659340 O\n0.500000 0.133857 0.442274 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sb",
"density": 3.544842074576327,
"density_atomic": 0.07687501596907961,
"volume": 312.19505709960686,
"volume_molar": 7.833677410125292,
"formula_full": "Mn3 Sb1 P4 O16",
"formula_reduced": "Mn3Sb(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -189.60314827,
"energy_per_atom": -7.900131177916666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -173.60714827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.255056,
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"updated_at": "2021-11-28T01:36:30.963000Z",
"spacegroup": 6
},
{
"id": "mp-1221110",
"created_at": "2022-09-04T14:44:12.814360Z",
"structure_string": "Na1 Cd3 Rh8 O16\n1.0\n0.000000 -3.118071 0.000000\n-9.226755 0.000000 0.020059\n0.024226 0.000000 -11.004461\nNa Cd Rh O\n1 3 8 16\ndirect\n0.750000 0.734660 0.158507 Na\n0.750000 0.235690 0.338370 Cd\n0.250000 0.264436 0.839030 Cd\n0.250000 0.763500 0.662022 Cd\n0.750000 0.091139 0.596828 Rh\n0.750000 0.592690 0.903302 Rh\n0.250000 0.905869 0.398279 Rh\n0.250000 0.411381 0.099650 Rh\n0.750000 0.049575 0.117498 Rh\n0.750000 0.556376 0.382163 Rh\n0.250000 0.946141 0.884744 Rh\n0.250000 0.446248 0.615866 Rh\n0.750000 0.085783 0.932257 O\n0.750000 0.585885 0.568768 O\n0.250000 0.915018 0.069096 O\n0.250000 0.413338 0.429213 O\n0.750000 0.963992 0.290913 O\n0.750000 0.448210 0.214996 O\n0.250000 0.049570 0.711908 O\n0.250000 0.549408 0.787160 O\n0.750000 0.304013 0.663553 O\n0.750000 0.804230 0.837435 O\n0.250000 0.692850 0.339406 O\n0.250000 0.194824 0.165414 O\n0.750000 0.385423 0.969838 O\n0.750000 0.881852 0.528747 O\n0.250000 0.615175 0.025736 O\n0.250000 0.112719 0.469301 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Rh",
"O"
],
"chemical_system": "Cd-Na-O-Rh",
"density": 7.549986212860335,
"density_atomic": 0.08844155001527744,
"volume": 316.59327539107204,
"volume_molar": 6.809175957408857,
"formula_full": "Na1 Cd3 Rh8 O16",
"formula_reduced": "NaCd3(RhO2)8",
"formula_anonymous": "AB3C8D16",
"energy": -175.91921025,
"energy_per_atom": -6.2828289375,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -164.92721025,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.881000Z",
"spacegroup": 6
},
{
"id": "mp-1174095",
"created_at": "2022-09-04T14:44:13.121004Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n2.939612 0.000000 0.000000\n0.000000 5.926150 0.000000\n0.000000 0.081088 8.108976\nLi Mn Co O\n5 1 2 8\ndirect\n0.000000 0.007575 0.513303 Li\n0.500000 0.249048 0.254685 Li\n0.000000 0.492591 0.990491 Li\n0.500000 0.762794 0.742043 Li\n0.500000 0.237079 0.743620 Li\n0.000000 0.003962 0.990988 Mn\n0.000000 0.487119 0.510007 Co\n0.500000 0.754803 0.261302 Co\n0.000000 0.513458 0.270044 O\n0.500000 0.773287 0.006801 O\n0.000000 0.997935 0.766849 O\n0.500000 0.267869 0.497548 O\n0.000000 0.501737 0.722010 O\n0.500000 0.741593 0.492795 O\n0.000000 0.987014 0.237014 O\n0.500000 0.222136 0.000500 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.943836982839907,
"density_atomic": 0.11326384902366902,
"volume": 141.2630785367045,
"volume_molar": 5.31691339461856,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy": -101.71306241,
"energy_per_atom": -6.357066400625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -91.27306241,
"band_gap": 0.0,
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"total_magnetization": 9.9989676,
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"updated_at": "2021-11-28T01:36:35.199000Z",
"spacegroup": 6
},
{
"id": "mp-1198745",
"created_at": "2022-09-04T14:44:14.004241Z",
"structure_string": "Cd12 P14 N2 O48\n1.0\n27.785519 0.000000 0.000000\n0.000000 5.556887 0.000000\n0.000000 2.047354 6.587450\nCd P N O\n12 14 2 48\ndirect\n0.150562 0.002886 0.003009 Cd\n0.849438 0.002886 0.003009 Cd\n0.293842 0.033370 0.609398 Cd\n0.706158 0.033370 0.609398 Cd\n0.064948 0.321600 0.623967 Cd\n0.935052 0.321600 0.623967 Cd\n0.207280 0.393964 0.237822 Cd\n0.792720 0.393964 0.237822 Cd\n0.349663 0.425214 0.844724 Cd\n0.650337 0.425214 0.844724 Cd\n0.435164 0.106134 0.223093 Cd\n0.564836 0.106134 0.223093 Cd\n0.142543 0.882970 0.533884 P\n0.857457 0.882970 0.533884 P\n0.420555 0.967572 0.752920 P\n0.579445 0.967572 0.752920 P\n0.225741 0.507858 0.715500 P\n0.774259 0.507858 0.715500 P\n0.500000 0.685509 0.029969 P\n0.357288 0.545534 0.313375 P\n0.642712 0.545534 0.313375 P\n0.000000 0.740499 0.814989 P\n0.079548 0.460633 0.093395 P\n0.920452 0.460633 0.093395 P\n0.274446 0.919377 0.132073 P\n0.725554 0.919377 0.132073 P\n0.000000 0.938910 0.272553 N\n0.500000 0.468997 0.571038 N\n0.202036 0.353010 0.914277 O\n0.797964 0.353010 0.914277 O\n0.298841 0.072098 0.934681 O\n0.701159 0.072098 0.934681 O\n0.500000 0.406602 0.142239 O\n0.345636 0.366731 0.525708 O\n0.654364 0.366731 0.525708 O\n0.155023 0.061739 0.322102 O\n0.844977 0.061739 0.322102 O\n0.373075 0.835181 0.731647 O\n0.626925 0.835181 0.731647 O\n0.000000 0.019399 0.700755 O\n0.046033 0.694770 0.959694 O\n0.953967 0.694770 0.959694 O\n0.000000 0.551872 0.693749 O\n0.454181 0.731544 0.884265 O\n0.545819 0.731544 0.884265 O\n0.371695 0.391262 0.169197 O\n0.628305 0.391262 0.169197 O\n0.054258 0.346331 0.294564 O\n0.945742 0.346331 0.294564 O\n0.415780 0.150908 0.880981 O\n0.584220 0.150908 0.880981 O\n0.500000 0.871400 0.152414 O\n0.126929 0.592483 0.115326 O\n0.873071 0.592483 0.115326 O\n0.445630 0.085325 0.551611 O\n0.554370 0.085325 0.551611 O\n0.271002 0.071698 0.284913 O\n0.728998 0.071698 0.284913 O\n0.274387 0.622601 0.750055 O\n0.725613 0.622601 0.750055 O\n0.225635 0.806458 0.096534 O\n0.774365 0.806458 0.096534 O\n0.128522 0.038857 0.677749 O\n0.871478 0.038857 0.677749 O\n0.084521 0.276353 0.967524 O\n0.915479 0.276353 0.967524 O\n0.194054 0.757947 0.620892 O\n0.805946 0.757947 0.620892 O\n0.305197 0.665694 0.228786 O\n0.694803 0.665694 0.228786 O\n0.229354 0.355030 0.563092 O\n0.770646 0.355030 0.563092 O\n0.392045 0.750739 0.319065 O\n0.607955 0.750739 0.319065 O\n0.106954 0.683531 0.525825 O\n0.893046 0.683531 0.525825 O\n",
"nsites": 76,
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"elements": [
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"P",
"N",
"O"
],
"chemical_system": "Cd-N-O-P",
"density": 4.209757900934265,
"density_atomic": 0.07472160325159656,
"volume": 1017.1087970917717,
"volume_molar": 8.059437295159118,
"formula_full": "Cd12 P14 N2 O48",
"formula_reduced": "Cd6P7NO24",
"formula_anonymous": "AB6C7D24",
"energy": -498.93484742,
"energy_per_atom": -6.564932202894736,
"energy_above_hull": null,
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"energy_uncorrected": -465.95884742,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:42.475000Z",
"spacegroup": 6
},
{
"id": "mp-774378",
"created_at": "2022-09-04T14:44:14.380403Z",
"structure_string": "Li6 Mn4 Fe2 B6 O18\n1.0\n6.339976 0.000000 0.000000\n0.000000 8.257060 0.000000\n0.000000 4.119654 7.171257\nLi Mn Fe B O\n6 4 2 6 18\ndirect\n0.749399 0.715983 0.301821 Li\n0.250601 0.715983 0.301821 Li\n0.748950 0.983254 0.715405 Li\n0.251050 0.983254 0.715405 Li\n0.250179 0.301475 0.983444 Li\n0.749821 0.301475 0.983444 Li\n0.000000 0.628887 0.011848 Mn\n0.500000 0.626501 0.012086 Mn\n0.000000 0.358640 0.629153 Mn\n0.000000 0.012036 0.358968 Mn\n0.500000 0.359334 0.633390 Fe\n0.500000 0.007555 0.360015 Fe\n0.000000 0.999881 0.999950 B\n0.500000 0.002560 0.997951 B\n0.746342 0.666638 0.665702 B\n0.253658 0.666638 0.665702 B\n0.747176 0.332362 0.334548 B\n0.252824 0.332362 0.334548 B\n0.500000 0.893430 0.192203 O\n0.000000 0.884146 0.193167 O\n0.745839 0.860385 0.558075 O\n0.254161 0.860385 0.558075 O\n0.000000 0.922081 0.884241 O\n0.500000 0.918944 0.888439 O\n0.746109 0.558690 0.580101 O\n0.253891 0.558690 0.580101 O\n0.749975 0.581188 0.858658 O\n0.250025 0.581188 0.858658 O\n0.749330 0.526043 0.222444 O\n0.250670 0.526043 0.222444 O\n0.000000 0.193236 0.922647 O\n0.500000 0.196695 0.914658 O\n0.747236 0.220129 0.252892 O\n0.252764 0.220129 0.252892 O\n0.253496 0.251889 0.527553 O\n0.746504 0.251889 0.527553 O\n",
"nsites": 36,
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"elements": [
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"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.211023659654323,
"density_atomic": 0.09589460170808409,
"volume": 375.41216459283896,
"volume_molar": 6.2799580505399,
"formula_full": "Li6 Mn4 Fe2 B6 O18",
"formula_reduced": "Li3Mn2Fe(BO3)3",
"formula_anonymous": "AB2C3D3E9",
"energy": -282.62195095,
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"updated_at": "2021-11-28T01:36:36.520000Z",
"spacegroup": 6
},
{
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