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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=1753",
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"results": [
{
"id": "mp-1218746",
"created_at": "2022-09-04T14:41:49.524800Z",
"structure_string": "Sr8 Mn4 Nb4 O24\n1.0\n5.744344 -5.743419 -0.000036\n-5.740816 -5.739891 -0.000211\n0.001644 -5.741814 -7.885447\nSr Mn Nb O\n8 4 4 24\ndirect\n0.874944 0.374965 0.750128 Sr\n0.625061 0.625082 0.249880 Sr\n0.125074 0.125082 0.249878 Sr\n0.374972 0.874971 0.750096 Sr\n0.375055 0.375049 0.749856 Sr\n0.124947 0.624946 0.250084 Sr\n0.624940 0.124921 0.250103 Sr\n0.875055 0.875047 0.749864 Sr\n0.249917 0.250065 0.500061 Mn\n0.000072 0.500025 0.000134 Mn\n0.500002 0.999969 0.999871 Mn\n0.750020 0.749799 0.500118 Mn\n0.499995 0.499966 0.000057 Nb\n0.250016 0.750033 0.500001 Nb\n0.749969 0.249969 0.499997 Nb\n0.999965 0.999994 0.000052 Nb\n0.128508 0.128460 0.743219 O\n0.878510 0.378408 0.243257 O\n0.378545 0.878466 0.243164 O\n0.628543 0.628395 0.743218 O\n0.371450 0.371600 0.256788 O\n0.121451 0.621555 0.756830 O\n0.621483 0.121584 0.756749 O\n0.871488 0.871528 0.256789 O\n0.993586 0.289593 0.500227 O\n0.743747 0.539740 0.999946 O\n0.243741 0.039729 0.999967 O\n0.493647 0.789590 0.500225 O\n0.256402 0.460436 0.999729 O\n0.006240 0.710265 0.500020 O\n0.506287 0.210300 0.500017 O\n0.756376 0.960418 0.999772 O\n0.289794 0.506171 0.499853 O\n0.039657 0.756069 0.000087 O\n0.539609 0.256035 0.000161 O\n0.789759 0.006199 0.499854 O\n0.960224 0.243825 0.000124 O\n0.710364 0.493929 0.499850 O\n0.210363 0.993990 0.499854 O\n0.460221 0.743833 0.000120 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Nb",
"O"
],
"chemical_system": "Mn-Nb-O-Sr",
"density": 5.353197443687364,
"density_atomic": 0.07692479972830574,
"volume": 519.9883540974803,
"volume_molar": 7.828607654839372,
"formula_full": "Sr8 Mn4 Nb4 O24",
"formula_reduced": "Sr2MnNbO6",
"formula_anonymous": "ABC2D6",
"energy": -328.89197017000004,
"energy_per_atom": -8.22229925425,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -305.73197017,
"band_gap": 1.5101000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.471000Z",
"spacegroup": 87
},
{
"id": "mp-1272828",
"created_at": "2022-09-04T14:41:16.640005Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-5.596804 -0.011104 -0.000627\n-2.794045 2.816048 -4.092103\n-2.816483 -8.478290 -4.098751\nSr Mn Mo O\n4 2 2 12\ndirect\n0.253607 0.381555 0.123010 Sr\n0.248306 0.866680 0.624745 Sr\n0.752283 0.624136 0.862385 Sr\n0.744378 0.130135 0.386289 Sr\n0.998627 0.500313 0.500146 Mn\n0.999030 0.000228 0.999757 Mn\n0.497056 0.246051 0.749076 Mo\n0.502919 0.754249 0.251696 Mo\n0.743961 0.399637 0.135073 O\n0.746118 0.868126 0.622045 O\n0.265816 0.612251 0.871470 O\n0.254430 0.114591 0.374567 O\n0.203858 0.159863 0.840738 O\n0.222834 0.646604 0.353727 O\n0.778491 0.345353 0.638349 O\n0.790077 0.852876 0.166557 O\n0.690967 0.100462 0.894397 O\n0.713436 0.603261 0.397472 O\n0.274833 0.399265 0.598206 O\n0.318971 0.894367 0.110293 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.417770821613771,
"density_atomic": 0.07729320541128135,
"volume": 258.75495644900366,
"volume_molar": 7.7912938504178495,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -158.42927653,
"energy_per_atom": -7.9214638265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -140.44527653,
"band_gap": 0.8079000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9855319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.875000Z",
"spacegroup": 1
},
{
"id": "mp-555929",
"created_at": "2022-09-04T14:45:21.588939Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-0.000034 5.733394 -0.010930\n-0.000019 -0.003447 8.098454\n5.762629 -0.000034 -0.000014\nSr Mn Mo O\n4 2 2 12\ndirect\n0.494387 0.249541 0.531114 Sr\n0.005612 0.250459 0.031114 Sr\n0.994388 0.749541 0.968886 Sr\n0.505613 0.750459 0.468887 Sr\n0.999995 0.500000 0.499996 Mn\n0.500003 0.999995 0.999998 Mn\n0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.768498 0.534760 0.203686 O\n0.231502 0.465241 0.796315 O\n0.268436 0.034778 0.296406 O\n0.731564 0.965223 0.703595 O\n0.568348 0.264023 0.984652 O\n0.931659 0.236127 0.484650 O\n0.068342 0.763874 0.515351 O\n0.431653 0.735978 0.015348 O\n0.299192 0.462919 0.270229 O\n0.799274 0.962903 0.229839 O\n0.200726 0.037098 0.770161 O\n0.700808 0.537082 0.729771 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.239322020701259,
"density_atomic": 0.07474734655558704,
"volume": 267.5680264466202,
"volume_molar": 8.056661590684747,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -159.13676568,
"energy_per_atom": -7.956838284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.15276568,
"band_gap": 0.9301,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.803000Z",
"spacegroup": 14
},
{
"id": "mp-1279341",
"created_at": "2022-09-04T14:40:43.727942Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-5.626014 0.004912 0.002193\n-0.005228 5.624655 -0.001974\n0.003256 0.004573 -8.265340\nSr Mn Mo O\n4 2 2 12\ndirect\n0.500227 0.000516 0.254654 Sr\n0.000156 0.500250 0.745238 Sr\n0.999752 0.499774 0.254756 Sr\n0.499618 0.999629 0.745323 Sr\n0.500132 0.500084 0.499988 Mn\n0.999955 0.999904 0.000153 Mn\n0.499887 0.499946 0.999999 Mo\n0.999986 0.000031 0.499977 Mo\n0.997238 0.003314 0.266450 O\n0.497783 0.502829 0.764064 O\n0.502333 0.496924 0.235754 O\n0.003191 0.996796 0.733602 O\n0.205724 0.318334 0.999882 O\n0.709070 0.782609 0.499965 O\n0.793892 0.681602 0.000175 O\n0.291112 0.217469 0.500068 O\n0.681836 0.205406 0.998531 O\n0.217001 0.707908 0.498577 O\n0.318090 0.794580 0.001432 O\n0.783018 0.292096 0.501413 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.359846965730524,
"density_atomic": 0.07646682854182499,
"volume": 261.55132076728694,
"volume_molar": 7.875494348122566,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -158.63998343,
"energy_per_atom": -7.9319991715,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -140.65598343,
"band_gap": 0.2631999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9860623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.810000Z",
"spacegroup": 83
},
{
"id": "mp-1095141",
"created_at": "2022-09-04T14:44:10.433684Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-5.693261 -0.000081 -0.000004\n-2.846594 2.846555 -4.110403\n-2.846755 -8.539723 -4.110331\nSr Mn Mo O\n4 2 2 12\ndirect\n0.249989 0.375005 0.125033 Sr\n0.250005 0.875001 0.624988 Sr\n0.750001 0.624992 0.875001 Sr\n0.750000 0.125010 0.375016 Sr\n0.000018 0.499934 0.499775 Mn\n0.999943 0.000046 0.000062 Mn\n0.499997 0.750003 0.250029 Mo\n0.500041 0.249989 0.749971 Mo\n0.737491 0.393730 0.131278 O\n0.737664 0.893523 0.631174 O\n0.262438 0.606364 0.868781 O\n0.262398 0.106396 0.368809 O\n0.209347 0.159363 0.840617 O\n0.209288 0.659310 0.340689 O\n0.790712 0.340667 0.659330 O\n0.790654 0.840653 0.159413 O\n0.681288 0.104671 0.895318 O\n0.681368 0.604650 0.395356 O\n0.318667 0.395341 0.604649 O\n0.318692 0.895349 0.104710 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.261191862614553,
"density_atomic": 0.07505935498838616,
"volume": 266.45579359287825,
"volume_molar": 8.023171476669095,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -159.00130753000002,
"energy_per_atom": -7.950065376500001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -141.01730753,
"band_gap": 1.1037000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.940000Z",
"spacegroup": 87
},
{
"id": "mp-705116",
"created_at": "2022-09-04T14:43:49.843374Z",
"structure_string": "Sr8 Mn4 Mo4 O24\n1.0\n8.096076 0.000000 0.000000\n0.000000 8.096076 0.000000\n0.000000 0.000000 8.162436\nSr Mn Mo O\n8 4 4 24\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.012742 Sr\n0.000000 0.500000 0.487258 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.987258 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.512742 Sr\n0.250000 0.750000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.750000 0.250000 0.250000 Mn\n0.250000 0.250000 0.750000 Mn\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.250000 Mo\n0.250000 0.750000 0.750000 Mo\n0.750000 0.250000 0.750000 Mo\n0.486139 0.292910 0.228467 O\n0.727542 0.269505 0.512804 O\n0.013861 0.207090 0.271533 O\n0.292910 0.513861 0.771533 O\n0.203860 0.485996 0.231809 O\n0.513861 0.707090 0.228467 O\n0.769505 0.772458 0.012804 O\n0.792910 0.013861 0.728467 O\n0.296140 0.014004 0.268191 O\n0.772458 0.230495 0.987196 O\n0.796140 0.514004 0.231809 O\n0.986139 0.792910 0.271533 O\n0.014004 0.703860 0.731809 O\n0.514004 0.203860 0.768191 O\n0.230495 0.227542 0.012804 O\n0.730495 0.727542 0.487196 O\n0.703860 0.985996 0.268191 O\n0.485996 0.796140 0.768191 O\n0.707090 0.486139 0.771533 O\n0.985996 0.296140 0.731809 O\n0.272458 0.730495 0.512804 O\n0.207090 0.986139 0.728467 O\n0.227542 0.769505 0.987196 O\n0.269505 0.272458 0.487196 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.240471473251065,
"density_atomic": 0.07476374534301605,
"volume": 535.0186753817643,
"volume_molar": 8.054894430944328,
"formula_full": "Sr8 Mn4 Mo4 O24",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -318.01993668,
"energy_per_atom": -7.950498417,
"energy_above_hull": null,
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"energy_uncorrected": -282.05193668,
"band_gap": 0.9344,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.958000Z",
"spacegroup": 86
},
{
"id": "mp-1208680",
"created_at": "2022-09-04T14:40:28.051926Z",
"structure_string": "Sr4 Mn4 Ge8 O24\n1.0\n-5.091239 4.767350 1.347244\n-5.081109 -4.765099 -4.261182\n-5.097998 -4.766982 6.958885\nSr Mn Ge O\n4 4 8 24\ndirect\n0.190952 0.279632 0.529744 Sr\n0.191011 0.779585 0.029729 Sr\n0.809032 0.720389 0.470260 Sr\n0.809011 0.220429 0.970283 Sr\n0.593370 0.578448 0.827617 Mn\n0.406403 0.421695 0.172311 Mn\n0.593435 0.078061 0.327947 Mn\n0.406618 0.921851 0.672014 Mn\n0.122162 0.047347 0.266367 Ge\n0.122145 0.547342 0.766379 Ge\n0.877906 0.952652 0.733613 Ge\n0.877810 0.452626 0.233632 Ge\n0.686456 0.298191 0.579215 Ge\n0.686494 0.798249 0.079213 Ge\n0.313554 0.701756 0.420783 Ge\n0.313557 0.201759 0.920794 Ge\n0.875979 0.406624 0.424426 O\n0.876017 0.906687 0.924387 O\n0.124026 0.593388 0.575581 O\n0.124030 0.093319 0.075623 O\n0.168805 0.820954 0.303254 O\n0.168791 0.320964 0.803237 O\n0.831212 0.179045 0.696750 O\n0.831239 0.679038 0.196771 O\n0.301511 0.169281 0.308060 O\n0.301484 0.669333 0.808004 O\n0.698479 0.830715 0.691959 O\n0.698521 0.330660 0.192005 O\n0.522871 0.168256 0.529742 O\n0.522925 0.668306 0.029775 O\n0.477097 0.831746 0.470275 O\n0.477092 0.331697 0.970244 O\n0.886952 0.036726 0.356824 O\n0.886894 0.536737 0.856814 O\n0.113039 0.963296 0.643165 O\n0.113097 0.463249 0.143205 O\n0.606187 0.966398 0.146260 O\n0.606172 0.466354 0.646192 O\n0.393829 0.033573 0.853743 O\n0.393832 0.533641 0.353804 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mn-O-Sr",
"density": 4.684160750915881,
"density_atomic": 0.07349177688894244,
"volume": 544.2785804518817,
"volume_molar": 8.19430556033554,
"formula_full": "Sr4 Mn4 Ge8 O24",
"formula_reduced": "SrMn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -296.97408724,
"energy_per_atom": -7.424352181000001,
"energy_above_hull": null,
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"energy_uncorrected": -273.81408724,
"band_gap": 1.5991,
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"is_magnetic": true,
"total_magnetization": 7.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.152000Z",
"spacegroup": 15
},
{
"id": "mp-22458",
"created_at": "2022-09-04T14:46:06.697676Z",
"structure_string": "Sr8 Mn4 Ge8 O28\n1.0\n8.393483 -0.000014 -0.000027\n-0.000014 8.393471 0.000038\n-0.000035 0.000049 10.777582\nSr Mn Ge O\n8 4 8 28\ndirect\n0.833055 0.333063 0.253067 Sr\n0.833053 0.333063 0.753067 Sr\n0.666946 0.833062 0.246937 Sr\n0.666949 0.833064 0.746937 Sr\n0.166946 0.666959 0.253067 Sr\n0.166947 0.666956 0.753067 Sr\n0.333054 0.166958 0.246936 Sr\n0.333053 0.166957 0.746937 Sr\n0.500085 0.499722 0.500133 Mn\n0.000184 0.000098 0.999864 Mn\n0.499925 0.499803 0.999861 Mn\n0.999770 0.999906 0.500061 Mn\n0.359110 0.859116 0.471710 Ge\n0.359109 0.859118 0.971721 Ge\n0.140895 0.359124 0.028289 Ge\n0.140891 0.359120 0.528285 Ge\n0.640896 0.140899 0.471714 Ge\n0.640890 0.140906 0.971720 Ge\n0.859107 0.640903 0.028290 Ge\n0.859113 0.640910 0.528286 Ge\n0.000003 0.500006 0.095176 O\n0.000000 0.500013 0.595179 O\n0.500007 0.000016 0.404827 O\n0.499998 0.000014 0.904828 O\n0.360947 0.860959 0.133272 O\n0.360948 0.860957 0.633273 O\n0.139050 0.360959 0.366731 O\n0.139052 0.360958 0.866728 O\n0.639056 0.139063 0.133274 O\n0.639053 0.139067 0.633275 O\n0.860949 0.639061 0.366732 O\n0.860950 0.639060 0.866726 O\n0.315772 0.418839 0.108509 O\n0.315772 0.418833 0.608518 O\n0.184225 0.918840 0.391495 O\n0.184228 0.918836 0.891486 O\n0.684222 0.581178 0.108506 O\n0.684228 0.581188 0.608517 O\n0.815771 0.081185 0.391494 O\n0.815771 0.081185 0.891488 O\n0.581179 0.315780 0.391486 O\n0.581171 0.315777 0.891492 O\n0.918828 0.815792 0.108512 O\n0.918828 0.815782 0.608511 O\n0.418832 0.684223 0.391493 O\n0.418828 0.684242 0.891495 O\n0.081177 0.184237 0.108517 O\n0.081172 0.184240 0.608511 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ge-Mn-O-Sr",
"density": 4.264198803893687,
"density_atomic": 0.06321732167576787,
"volume": 759.2855680628923,
"volume_molar": 9.526092849815203,
"formula_full": "Sr8 Mn4 Ge8 O28",
"formula_reduced": "Sr2MnGe2O7",
"formula_anonymous": "AB2C2D7",
"energy": -351.69603376000003,
"energy_per_atom": -7.327000703333334,
"energy_above_hull": null,
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"band_gap": 0.0023000000000004,
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"updated_at": "2021-11-28T01:37:22.459000Z",
"spacegroup": 113
},
{
"id": "mp-1218651",
"created_at": "2022-09-04T14:43:54.165316Z",
"structure_string": "Sr4 Mn2 Ga2 O11\n1.0\n0.000000 4.012716 7.565422\n3.946162 0.000000 7.565422\n3.946162 4.012716 0.000000\nSr Mn Ga O\n4 2 2 11\ndirect\n0.621921 0.123718 0.876282 Sr\n0.123718 0.621921 0.378079 Sr\n0.378079 0.876282 0.123718 Sr\n0.876282 0.378079 0.621921 Sr\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.731438 0.268562 0.268562 Ga\n0.268562 0.731438 0.731438 Ga\n0.078052 0.675891 0.921948 O\n0.675891 0.078052 0.324109 O\n0.921948 0.324109 0.078052 O\n0.324109 0.921948 0.675891 O\n0.726995 0.726995 0.273005 O\n0.273005 0.273005 0.726995 O\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.376750207297857,
"density_atomic": 0.07930071689731459,
"volume": 239.5943030956812,
"volume_molar": 7.594055887033137,
"formula_full": "Sr4 Mn2 Ga2 O11",
"formula_reduced": "Sr4Mn2Ga2O11",
"formula_anonymous": "A2B2C4D11",
"energy": -133.77909665,
"energy_per_atom": -7.041005086842106,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.88609664999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0056967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.566000Z",
"spacegroup": 69
},
{
"id": "mp-21302",
"created_at": "2022-09-04T14:48:16.845508Z",
"structure_string": "Sr8 Mn4 Ga4 O20\n1.0\n5.192046 -0.000066 -1.634144\n-0.544220 5.313497 -1.728920\n4.643037 5.276571 14.752350\nSr Mn Ga O\n8 4 4 20\ndirect\n0.998885 0.483825 0.112542 Sr\n0.498872 0.983841 0.612553 Sr\n0.498870 0.016175 0.112547 Sr\n0.998833 0.516185 0.612557 Sr\n0.498868 0.016214 0.387448 Sr\n0.998884 0.516178 0.887457 Sr\n0.998820 0.483798 0.387445 Sr\n0.498865 0.983821 0.887455 Sr\n0.495392 0.499829 0.500007 Mn\n0.495064 0.500036 0.000003 Mn\n0.995363 0.999919 0.999993 Mn\n0.994985 0.000127 0.500008 Mn\n0.033203 0.931732 0.249999 Ga\n0.533205 0.431748 0.750002 Ga\n0.533210 0.568248 0.249994 Ga\n0.033205 0.068246 0.750000 Ga\n0.379618 0.872869 0.249993 O\n0.879616 0.372866 0.750006 O\n0.879622 0.627117 0.249992 O\n0.379620 0.127126 0.750007 O\n0.974121 0.049565 0.354113 O\n0.474113 0.549577 0.854117 O\n0.474126 0.450429 0.145884 O\n0.974143 0.950436 0.645881 O\n0.474129 0.450435 0.354118 O\n0.974133 0.950421 0.854118 O\n0.974126 0.049567 0.145879 O\n0.474132 0.549571 0.645881 O\n0.246534 0.752154 0.006268 O\n0.746485 0.252178 0.506256 O\n0.746469 0.747885 0.493737 O\n0.246491 0.247885 0.993736 O\n0.246474 0.752152 0.493732 O\n0.746512 0.252124 0.993729 O\n0.746536 0.747853 0.006275 O\n0.246475 0.247871 0.506268 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.053145172411138,
"density_atomic": 0.07209217506644842,
"volume": 499.36071379200683,
"volume_molar": 8.353390301304273,
"formula_full": "Sr8 Mn4 Ga4 O20",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy": -257.59335546,
"energy_per_atom": -7.155370985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.18135546,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0006767,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:59.553000Z",
"spacegroup": 46
},
{
"id": "mp-1282857",
"created_at": "2022-09-04T14:43:15.652179Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n-0.000115 -0.038259 5.486675\n-0.000121 5.530922 -0.040535\n-8.266905 -2.746153 -2.722902\nSr Mn Ga O\n4 2 2 10\ndirect\n0.875155 0.402949 0.776617 Sr\n0.124848 0.597064 0.223401 Sr\n0.401528 0.873712 0.776620 Sr\n0.598579 0.126397 0.223405 Sr\n0.000047 0.999969 0.999988 Mn\n0.499861 0.499863 0.999742 Mn\n0.179688 0.185192 0.500035 Ga\n0.820243 0.814803 0.500017 Ga\n0.244034 0.244080 0.988082 O\n0.755975 0.755894 0.011844 O\n0.251802 0.751744 0.003478 O\n0.748216 0.248172 0.996449 O\n0.823968 0.165527 0.500039 O\n0.176054 0.834556 0.500036 O\n0.371497 0.383690 0.707285 O\n0.628489 0.616344 0.292876 O\n0.835687 0.823539 0.707235 O\n0.164328 0.176505 0.292853 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.029356619444603,
"density_atomic": 0.0717527887107181,
"volume": 250.86132989993803,
"volume_molar": 8.392901332767908,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy": -128.43986691,
"energy_per_atom": -7.135548161666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.23386691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.955000Z",
"spacegroup": 69
},
{
"id": "mp-1218775",
"created_at": "2022-09-04T14:41:30.578487Z",
"structure_string": "Sr8 Mn4 Ga4 O20\n1.0\n0.000054 -5.535582 -5.478464\n-8.216858 2.790569 -2.763812\n0.000002 5.581068 -5.527707\nSr Mn Ga O\n8 4 4 20\ndirect\n0.748837 0.777327 0.375785 Sr\n0.248852 0.777342 0.875887 Sr\n0.751149 0.222677 0.124220 Sr\n0.251132 0.222665 0.624119 Sr\n0.751147 0.777325 0.846878 Sr\n0.251168 0.777317 0.346773 Sr\n0.748870 0.222673 0.653116 Sr\n0.248861 0.222675 0.153222 Sr\n0.999978 0.999858 0.500123 Mn\n0.500019 0.999904 0.500057 Mn\n0.500016 0.000160 0.999953 Mn\n0.999998 0.000095 0.999963 Mn\n0.568380 0.499976 0.252868 Ga\n0.068402 0.499975 0.752866 Ga\n0.931627 0.500023 0.247109 Ga\n0.431601 0.500023 0.747108 Ga\n0.749988 0.986258 0.006873 O\n0.249986 0.986209 0.506890 O\n0.749981 0.013739 0.493104 O\n0.249987 0.013789 0.993089 O\n0.999990 0.004095 0.747975 O\n0.499993 0.004106 0.247987 O\n0.500013 0.995902 0.752102 O\n0.000014 0.995891 0.252091 O\n0.756197 0.500002 0.419970 O\n0.256194 0.500002 0.919956 O\n0.743805 0.499999 0.079999 O\n0.243807 0.499995 0.580014 O\n0.475450 0.707605 0.153313 O\n0.975454 0.707628 0.653293 O\n0.024552 0.292397 0.346657 O\n0.524550 0.292373 0.846677 O\n0.024542 0.707658 0.138998 O\n0.524545 0.707673 0.638987 O\n0.475460 0.292339 0.360985 O\n0.975455 0.292325 0.860994 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.019934732581123,
"density_atomic": 0.07161836860323202,
"volume": 502.6643401979891,
"volume_molar": 8.40865392140227,
"formula_full": "Sr8 Mn4 Ga4 O20",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy": -256.81421373,
"energy_per_atom": -7.133728159166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.40221373,
"band_gap": 0.6231000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.768000Z",
"spacegroup": 12
}
]
}