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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10252",
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"results": [
{
"id": "mp-1042921",
"created_at": "2022-09-04T14:42:51.542423Z",
"structure_string": "Mg2 Sb4 O10\n1.0\n2.001992 -5.174775 0.000000\n2.001992 5.174775 0.000000\n0.000000 0.000000 12.954670\nMg Sb O\n2 4 10\ndirect\n0.093154 0.906846 0.750000 Mg\n0.906846 0.093154 0.250000 Mg\n0.795350 0.204650 0.606547 Sb\n0.204650 0.795350 0.393453 Sb\n0.204650 0.795350 0.106547 Sb\n0.795350 0.204650 0.893453 Sb\n0.303950 0.696050 0.250000 O\n0.696050 0.303950 0.750000 O\n0.756358 0.243642 0.088907 O\n0.243642 0.756358 0.911093 O\n0.243642 0.756358 0.588907 O\n0.756358 0.243642 0.411093 O\n0.972505 0.027495 0.635415 O\n0.027495 0.972505 0.364585 O\n0.972505 0.027495 0.864585 O\n0.027495 0.972505 0.135415 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.303541367156329,
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"formula_full": "Mg2 Sb4 O10",
"formula_reduced": "MgSb2O5",
"formula_anonymous": "AB2C5",
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"updated_at": "2021-11-28T01:35:51.405000Z",
"spacegroup": 63
},
{
"id": "mp-1047380",
"created_at": "2022-09-04T14:43:38.708775Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n1.593736 -5.522354 0.000000\n1.593736 5.522354 0.000000\n0.000000 0.000000 10.952827\nMg Sb O\n2 4 8\ndirect\n0.614961 0.385039 0.750000 Mg\n0.385039 0.614961 0.250000 Mg\n0.131686 0.868314 0.080425 Sb\n0.868314 0.131686 0.919575 Sb\n0.131686 0.868314 0.419575 Sb\n0.868314 0.131686 0.580425 Sb\n0.783499 0.216501 0.375972 O\n0.216501 0.783499 0.624028 O\n0.216501 0.783499 0.875972 O\n0.783499 0.216501 0.124028 O\n0.013904 0.986096 0.250000 O\n0.986096 0.013904 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Mg-O-Sb",
"density": 5.715947164785657,
"density_atomic": 0.07261581004570036,
"volume": 192.79548064242726,
"volume_molar": 8.293153730861086,
"formula_full": "Mg2 Sb4 O8",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -83.08552721,
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"band_gap": 0.3266,
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"total_magnetization": 0.0002785,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.766000Z",
"spacegroup": 63
},
{
"id": "mp-1352074",
"created_at": "2022-09-04T14:40:14.189806Z",
"structure_string": "Mg6 Sb12 O24\n1.0\n6.512899 0.000000 0.000000\n3.231800 6.352231 0.000000\n0.220839 0.170127 16.949404\nMg Sb O\n6 12 24\ndirect\n0.670109 0.159525 0.028933 Mg\n0.440068 0.735182 0.355302 Mg\n0.080018 0.181076 0.166950 Mg\n0.706846 0.228268 0.663831 Mg\n0.563572 0.490972 0.509294 Mg\n0.800876 0.892028 0.829326 Mg\n0.062311 0.752132 0.149542 Sb\n0.037231 0.413975 0.361858 Sb\n0.087843 0.352966 0.002470 Sb\n0.601577 0.675773 0.185638 Sb\n0.513455 0.004723 0.538753 Sb\n0.298994 0.898074 0.727310 Sb\n0.019155 0.994885 0.468119 Sb\n0.798456 0.429186 0.828291 Sb\n0.649071 0.116853 0.297422 Sb\n0.355725 0.320115 0.834144 Sb\n0.975075 0.567589 0.637962 Sb\n0.310181 0.781300 0.951626 Sb\n0.341878 0.257895 0.078637 O\n0.964252 0.393729 0.251621 O\n0.871826 0.297730 0.070596 O\n0.906622 0.870686 0.050316 O\n0.728829 0.488624 0.408096 O\n0.427157 0.585583 0.256562 O\n0.277051 0.010723 0.614741 O\n0.565630 0.882381 0.275460 O\n0.286073 0.716662 0.459050 O\n0.288012 0.877944 0.133860 O\n0.172693 0.093251 0.384375 O\n0.892176 0.025211 0.213882 O\n0.965729 0.090371 0.741360 O\n0.795155 0.875852 0.609235 O\n0.751224 0.473182 0.603951 O\n0.481529 0.064392 0.762255 O\n0.631710 0.184707 0.903644 O\n0.833407 0.935682 0.387547 O\n0.541153 0.422139 0.761597 O\n0.502933 0.275184 0.565792 O\n0.213622 0.086270 0.936035 O\n0.129451 0.755058 0.865566 O\n0.860517 0.626046 0.749734 O\n0.600806 0.716075 0.879318 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Sb",
"density": 4.714669479346478,
"density_atomic": 0.05989550523658891,
"volume": 701.2212324463886,
"volume_molar": 10.054411823078171,
"formula_full": "Mg6 Sb12 O24",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -262.37844011,
"energy_per_atom": -6.247105716904762,
"energy_above_hull": null,
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"energy_uncorrected": -245.89044011,
"band_gap": 2.4132,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.078000Z",
"spacegroup": 1
},
{
"id": "mp-1043624",
"created_at": "2022-09-04T14:39:16.442302Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n5.364177 -3.442336 0.000000\n5.364177 3.442336 0.000000\n3.155137 0.000000 5.537976\nMg Sb O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.286818 0.740769 0.740769 O\n0.259231 0.259231 0.713182 O\n0.713182 0.259231 0.259231 O\n0.259231 0.713182 0.259231 O\n0.267535 0.267535 0.267535 O\n0.732465 0.732465 0.732465 O\n0.740769 0.286818 0.740769 O\n0.740769 0.740769 0.286818 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.190912240984417,
"density_atomic": 0.0635632257418876,
"volume": 204.5207720072192,
"volume_molar": 9.474252902856474,
"formula_full": "Mg1 Sb4 O8",
"formula_reduced": "Mg(SbO2)4",
"formula_anonymous": "AB4C8",
"energy": -77.7168694,
"energy_per_atom": -5.978220723076922,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -72.2208694,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0003155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.408000Z",
"spacegroup": 166
},
{
"id": "mp-1342178",
"created_at": "2022-09-04T14:39:13.709536Z",
"structure_string": "Mg4 Sb4 O12\n1.0\n7.950041 0.000000 0.000000\n0.000000 5.549974 0.000000\n0.000000 0.175816 5.562484\nMg Sb O\n4 4 12\ndirect\n0.250000 0.508798 0.466513 Mg\n0.750000 0.491202 0.533487 Mg\n0.250000 0.978876 0.974178 Mg\n0.750000 0.021124 0.025822 Mg\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.570262 0.690363 0.351104 O\n0.931497 0.860992 0.818310 O\n0.070262 0.309637 0.648896 O\n0.431497 0.139008 0.181690 O\n0.568503 0.860992 0.818310 O\n0.068503 0.139008 0.181690 O\n0.750000 0.137837 0.402935 O\n0.929738 0.690363 0.351104 O\n0.250000 0.638161 0.115534 O\n0.429738 0.309637 0.648896 O\n0.250000 0.862163 0.597065 O\n0.750000 0.361839 0.884466 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.2519814731917895,
"density_atomic": 0.08148935942363916,
"volume": 245.4308162618618,
"volume_molar": 7.390094611853144,
"formula_full": "Mg4 Sb4 O12",
"formula_reduced": "MgSbO3",
"formula_anonymous": "ABC3",
"energy": -125.88723253,
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"band_gap": 0.5657000000000005,
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"updated_at": "2021-11-28T01:34:26.928000Z",
"spacegroup": 11
},
{
"id": "mp-27219",
"created_at": "2022-09-04T14:40:07.105392Z",
"structure_string": "Mg4 Sb8 O16\n1.0\n8.591549 0.000000 0.000000\n0.000000 8.591549 0.000000\n0.000000 0.000000 6.075010\nMg Sb O\n4 8 16\ndirect\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.500000 0.250000 Mg\n0.333527 0.324690 0.000000 Sb\n0.324690 0.666473 0.500000 Sb\n0.675310 0.333527 0.500000 Sb\n0.166473 0.824690 0.000000 Sb\n0.833527 0.175310 0.000000 Sb\n0.666473 0.675310 0.000000 Sb\n0.824690 0.833527 0.500000 Sb\n0.175310 0.166473 0.500000 Sb\n0.365051 0.098839 0.000000 O\n0.098839 0.634949 0.500000 O\n0.901161 0.365051 0.500000 O\n0.134949 0.598839 0.000000 O\n0.865051 0.401161 0.000000 O\n0.634949 0.901161 0.000000 O\n0.598839 0.865051 0.500000 O\n0.401161 0.134949 0.500000 O\n0.676570 0.176570 0.250000 O\n0.176570 0.323430 0.750000 O\n0.823430 0.676570 0.750000 O\n0.323430 0.823430 0.250000 O\n0.323430 0.823430 0.750000 O\n0.823430 0.676570 0.250000 O\n0.176570 0.323430 0.250000 O\n0.676570 0.176570 0.750000 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.915017979747761,
"density_atomic": 0.06244074721113157,
"volume": 448.42512703000335,
"volume_molar": 9.644568697484146,
"formula_full": "Mg4 Sb8 O16",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -179.37492458999998,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:48.256000Z",
"spacegroup": 135
},
{
"id": "mp-1191510",
"created_at": "2022-09-04T14:46:19.608885Z",
"structure_string": "Mg6 Sb12 O6\n1.0\n0.024308 -0.042102 -7.059486\n-4.672010 -8.117867 -0.034312\n-4.694274 8.130722 0.068625\nMg Sb O\n6 12 6\ndirect\n0.961170 0.326880 0.326236 Mg\n0.961170 0.673120 0.999357 Mg\n0.961803 0.000000 0.672463 Mg\n0.038830 0.673120 0.673764 Mg\n0.038830 0.326880 0.000643 Mg\n0.038197 0.000000 0.327537 Mg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.666556 0.333278 Sb\n0.000000 0.333444 0.666722 Sb\n0.500000 0.666396 0.333198 Sb\n0.500000 0.333604 0.666802 Sb\n0.543831 0.339872 0.340631 Sb\n0.543831 0.660128 0.000758 Sb\n0.545091 0.000000 0.659917 Sb\n0.456169 0.660128 0.659369 Sb\n0.456169 0.339872 0.999242 Sb\n0.454909 0.000000 0.340083 Sb\n0.157535 0.181317 0.181174 O\n0.157535 0.818683 0.999857 O\n0.156998 0.000000 0.821109 O\n0.842465 0.818683 0.818826 O\n0.842465 0.181317 0.000143 O\n0.843002 0.000000 0.178891 O\n",
"nsites": 24,
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"density": 5.264373486909526,
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"volume": 537.1596511071078,
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"formula_full": "Mg6 Sb12 O6",
"formula_reduced": "MgSb2O",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:25.228000Z",
"spacegroup": 162
},
{
"id": "mp-1249986",
"created_at": "2022-09-04T14:45:35.740160Z",
"structure_string": "Mg6 Si8 Sb4 O28\n1.0\n4.126907 8.570158 0.000000\n-4.126907 8.570158 0.000000\n0.000000 5.900871 8.706195\nMg Si Sb O\n6 8 4 28\ndirect\n0.033481 0.305249 0.103496 Mg\n0.694751 0.966519 0.396504 Mg\n0.305249 0.033481 0.603496 Mg\n0.412900 0.587100 0.750000 Mg\n0.966519 0.694751 0.896504 Mg\n0.587100 0.412900 0.250000 Mg\n0.528044 0.084664 0.713178 Si\n0.084664 0.528044 0.213178 Si\n0.490707 0.267481 0.116482 Si\n0.267481 0.490707 0.616482 Si\n0.915336 0.471956 0.786822 Si\n0.509293 0.732519 0.883518 Si\n0.732519 0.509293 0.383518 Si\n0.471956 0.915336 0.286822 Si\n0.795819 0.204181 0.750000 Sb\n0.204181 0.795819 0.250000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.807938 0.345277 0.308464 O\n0.939043 0.897103 0.400973 O\n0.500474 0.606616 0.060239 O\n0.897103 0.939043 0.900973 O\n0.264347 0.955864 0.311944 O\n0.076847 0.505685 0.631098 O\n0.606616 0.500474 0.560239 O\n0.044136 0.735653 0.188056 O\n0.923153 0.494315 0.368902 O\n0.628990 0.708019 0.256520 O\n0.060957 0.102897 0.599027 O\n0.735653 0.044136 0.688056 O\n0.494315 0.923153 0.868902 O\n0.345277 0.807938 0.808464 O\n0.708019 0.628990 0.756520 O\n0.955864 0.264347 0.811944 O\n0.922407 0.493844 0.927311 O\n0.371010 0.291981 0.743480 O\n0.506156 0.077593 0.572689 O\n0.291981 0.371010 0.243480 O\n0.505685 0.076847 0.131098 O\n0.102897 0.060957 0.099027 O\n0.493844 0.922407 0.427311 O\n0.499526 0.393384 0.939761 O\n0.077593 0.506156 0.072689 O\n0.393384 0.499526 0.439761 O\n0.654723 0.192062 0.191536 O\n0.192062 0.654723 0.691536 O\n",
"nsites": 46,
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"elements": [
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],
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"density": 3.5201928129349693,
"density_atomic": 0.07469403743848826,
"volume": 615.8456762747861,
"volume_molar": 8.062411628182945,
"formula_full": "Mg6 Si8 Sb4 O28",
"formula_reduced": "Mg3Si4(SbO7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -333.89257373,
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"updated_at": "2021-11-28T01:37:09.326000Z",
"spacegroup": 15
},
{
"id": "mp-1163940",
"created_at": "2022-09-04T14:41:50.988873Z",
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"elements": [
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],
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"density": 4.199146856200644,
"density_atomic": 0.08533329952789605,
"volume": 937.5003713977735,
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"formula_full": "Mg12 Si12 Sb8 O48",
"formula_reduced": "Mg3Si3(SbO6)2",
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"updated_at": "2021-11-28T01:35:28.873000Z",
"spacegroup": 230
},
{
"id": "mp-1234711",
"created_at": "2022-09-04T14:45:13.448613Z",
"structure_string": "Sm6 Mg1 Sb10 O24\n1.0\n9.108674 -0.000000 -3.220403\n-4.554338 7.888344 -3.220403\n0.000000 0.000000 9.661209\nSm Mg Sb O\n6 1 10 24\ndirect\n0.500000 0.750000 0.250000 Sm\n0.250000 0.750000 0.500000 Sm\n0.750000 0.250000 0.500000 Sm\n0.250000 0.500000 0.750000 Sm\n0.750000 0.500000 0.250000 Sm\n0.500000 0.250000 0.750000 Sm\n0.000000 0.000000 0.000000 Mg\n1.000000 1.000000 0.506259 Sb\n0.000000 0.506259 0.000000 Sb\n0.506259 0.000000 0.000000 Sb\n0.493741 0.493741 0.493741 Sb\n0.710667 1.000000 0.710667 Sb\n0.289333 0.000000 0.289333 Sb\n1.000000 0.289333 0.289333 Sb\n0.000000 0.710667 0.710667 Sb\n0.710667 0.710667 1.000000 Sb\n0.289333 0.289333 0.000000 Sb\n0.275687 0.801453 0.801453 O\n0.525766 0.525766 0.724313 O\n0.525766 0.724313 0.525766 O\n0.198547 1.000000 0.474234 O\n0.198547 0.474234 1.000000 O\n0.000000 0.198547 0.474234 O\n0.000000 0.474234 0.198547 O\n0.474234 0.198547 1.000000 O\n0.801453 0.801453 0.275687 O\n0.801453 0.275687 0.801453 O\n0.474234 1.000000 0.198547 O\n0.724313 0.525766 0.525766 O\n0.797156 0.295365 0.295365 O\n0.498207 0.498207 0.202844 O\n0.498207 0.202844 0.498207 O\n0.704635 0.000000 0.501793 O\n0.202844 0.498207 0.498207 O\n0.501793 1.000000 0.704635 O\n0.295365 0.797156 0.295365 O\n0.295365 0.295365 0.797156 O\n0.501793 0.704635 1.000000 O\n1.000000 0.501793 0.704635 O\n0.000000 0.704635 0.501793 O\n0.704635 0.501793 1.000000 O\n",
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"formula_full": "Sm6 Mg1 Sb10 O24",
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"updated_at": "2021-11-28T01:36:54.740000Z",
"spacegroup": 217
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{
"id": "mp-1366935",
"created_at": "2022-09-04T14:45:19.480586Z",
"structure_string": "Mg4 Sn2 Sb2 O12\n1.0\n7.972564 0.000000 0.000000\n0.000000 5.368584 0.000000\n0.000000 0.022830 5.501444\nMg Sn Sb O\n4 2 2 12\ndirect\n0.750000 0.498704 0.547051 Mg\n0.250000 0.501296 0.452949 Mg\n0.750000 0.999475 0.039367 Mg\n0.250000 0.000525 0.960633 Mg\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.424920 0.667501 0.677390 O\n0.075085 0.825370 0.175381 O\n0.924920 0.332499 0.322610 O\n0.575085 0.174630 0.824619 O\n0.424915 0.825370 0.175381 O\n0.924915 0.174630 0.824619 O\n0.250000 0.128793 0.584452 O\n0.075080 0.667501 0.677390 O\n0.750000 0.639150 0.909919 O\n0.575080 0.332499 0.322610 O\n0.750000 0.871207 0.415548 O\n0.250000 0.360850 0.090081 O\n",
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"formula_full": "Mg4 Sn2 Sb2 O12",
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{
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"structure_string": "Mg4 Ta2 Sb2 O12\n1.0\n7.876089 0.000000 0.000000\n0.000000 5.529793 0.000000\n0.000000 0.293886 5.554547\nMg Ta Sb O\n4 2 2 12\ndirect\n0.750000 0.509999 0.535238 Mg\n0.250000 0.490001 0.464762 Mg\n0.750000 0.984242 0.034781 Mg\n0.250000 0.015758 0.965219 Mg\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.429730 0.636493 0.680870 O\n0.072527 0.805121 0.144372 O\n0.929730 0.363507 0.319130 O\n0.572527 0.194879 0.855628 O\n0.427473 0.805121 0.144372 O\n0.927473 0.194879 0.855628 O\n0.250000 0.143402 0.610077 O\n0.070270 0.636493 0.680870 O\n0.750000 0.631221 0.917647 O\n0.570270 0.363507 0.319130 O\n0.750000 0.856598 0.389923 O\n0.250000 0.368779 0.082353 O\n",
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}
]
}