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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=12179",
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"results": [
{
"id": "mp-1105799",
"created_at": "2022-09-04T14:41:46.464401Z",
"structure_string": "Zr6 Fe4 Si6\n1.0\n1.931058 -5.046305 0.000000\n1.931058 5.046305 0.000000\n0.000000 0.000000 12.977245\nZr Fe Si\n6 4 6\ndirect\n0.923374 0.076626 0.386273 Zr\n0.076626 0.923374 0.613727 Zr\n0.923374 0.076626 0.113727 Zr\n0.076626 0.923374 0.886273 Zr\n0.636109 0.363891 0.250000 Zr\n0.363891 0.636109 0.750000 Zr\n0.780183 0.219817 0.919208 Fe\n0.219817 0.780183 0.080792 Fe\n0.780183 0.219817 0.580792 Fe\n0.219817 0.780183 0.419208 Fe\n0.613907 0.386093 0.458651 Si\n0.386093 0.613907 0.541349 Si\n0.613907 0.386093 0.041349 Si\n0.386093 0.613907 0.958651 Si\n0.333339 0.666661 0.250000 Si\n0.666661 0.333339 0.750000 Si\n",
"nsites": 16,
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"elements": [
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"density": 6.166560215085494,
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"formula_full": "Zr6 Fe4 Si6",
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"updated_at": "2021-11-28T01:35:23.210000Z",
"spacegroup": 63
},
{
"id": "mp-1207393",
"created_at": "2022-09-04T14:46:13.427186Z",
"structure_string": "Zr6 Ga10\n1.0\n3.577970 -4.456064 0.000000\n3.577970 4.456064 0.000000\n0.000000 0.000000 9.102886\nZr Ga\n6 10\ndirect\n0.794528 0.205472 0.000000 Zr\n0.205472 0.794528 0.000000 Zr\n0.205472 0.794528 0.500000 Zr\n0.794528 0.205472 0.500000 Zr\n0.636909 0.636909 0.250000 Zr\n0.363091 0.363091 0.750000 Zr\n0.077195 0.497844 0.250000 Ga\n0.922805 0.502156 0.750000 Ga\n0.497844 0.077195 0.250000 Ga\n0.502156 0.922805 0.750000 Ga\n0.016853 0.016853 0.250000 Ga\n0.983147 0.983147 0.750000 Ga\n0.316143 0.316143 0.050427 Ga\n0.683857 0.683857 0.949573 Ga\n0.683857 0.683857 0.550427 Ga\n0.316143 0.316143 0.449573 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"chemical_system": "Ga-Zr",
"density": 7.119878907603847,
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"volume": 290.2666990680817,
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"formula_full": "Zr6 Ga10",
"formula_reduced": "Zr3Ga5",
"formula_anonymous": "A3B5",
"energy": -91.20209626,
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"total_magnetization": 2.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.393000Z",
"spacegroup": 63
},
{
"id": "mp-1194195",
"created_at": "2022-09-04T14:40:34.683634Z",
"structure_string": "Zr6 Ga16 Ir7\n1.0\n0.000000 6.229552 6.229552\n6.229552 0.000000 6.229552\n6.229552 6.229552 0.000000\nZr Ga Ir\n6 16 7\ndirect\n0.695466 0.695466 0.304534 Zr\n0.304534 0.695466 0.304534 Zr\n0.695466 0.304534 0.304534 Zr\n0.304534 0.304534 0.695466 Zr\n0.695466 0.304534 0.695466 Zr\n0.304534 0.695466 0.695466 Zr\n0.878129 0.878129 0.365612 Ga\n0.878129 0.365612 0.878129 Ga\n0.365612 0.878129 0.878129 Ga\n0.878129 0.878129 0.878129 Ga\n0.121871 0.121871 0.634388 Ga\n0.121871 0.634388 0.121871 Ga\n0.634388 0.121871 0.121871 Ga\n0.121871 0.121871 0.121871 Ga\n0.655736 0.655736 0.032791 Ga\n0.655736 0.032791 0.655736 Ga\n0.032791 0.655736 0.655736 Ga\n0.655736 0.655736 0.655736 Ga\n0.344264 0.344264 0.967209 Ga\n0.344264 0.967209 0.344264 Ga\n0.967209 0.344264 0.344264 Ga\n0.344264 0.344264 0.344264 Ga\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Ir"
],
"chemical_system": "Ga-Ir-Zr",
"density": 10.332102616385972,
"density_atomic": 0.059978770109739815,
"volume": 483.50441242693563,
"volume_molar": 10.040453895572757,
"formula_full": "Zr6 Ga16 Ir7",
"formula_reduced": "Zr6Ga16Ir7",
"formula_anonymous": "A6B7C16",
"energy": -179.22176137,
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"updated_at": "2021-11-28T01:35:03.554000Z",
"spacegroup": 225
},
{
"id": "mp-1194111",
"created_at": "2022-09-04T14:42:59.030394Z",
"structure_string": "Zr6 Ga16 Os7\n1.0\n0.000000 6.230084 6.230084\n6.230084 0.000000 6.230084\n6.230084 6.230084 0.000000\nZr Ga Os\n6 16 7\ndirect\n0.718918 0.718918 0.281082 Zr\n0.281082 0.718918 0.281082 Zr\n0.718918 0.281082 0.281082 Zr\n0.281082 0.281082 0.718918 Zr\n0.718918 0.281082 0.718918 Zr\n0.281082 0.718918 0.718918 Zr\n0.876230 0.876230 0.371310 Ga\n0.876230 0.371310 0.876230 Ga\n0.371310 0.876230 0.876230 Ga\n0.876230 0.876230 0.876230 Ga\n0.123770 0.123770 0.628690 Ga\n0.123770 0.628690 0.123770 Ga\n0.628690 0.123770 0.123770 Ga\n0.123770 0.123770 0.123770 Ga\n0.654411 0.654411 0.036767 Ga\n0.654411 0.036767 0.654411 Ga\n0.036767 0.654411 0.654411 Ga\n0.654411 0.654411 0.654411 Ga\n0.345589 0.345589 0.963233 Ga\n0.345589 0.963233 0.345589 Ga\n0.963233 0.345589 0.345589 Ga\n0.345589 0.345589 0.345589 Ga\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Ga",
"Os"
],
"chemical_system": "Ga-Os-Zr",
"density": 10.28169941311577,
"density_atomic": 0.059963406281086304,
"volume": 483.6282959653544,
"volume_molar": 10.043026461456222,
"formula_full": "Zr6 Ga16 Os7",
"formula_reduced": "Zr6Ga16Os7",
"formula_anonymous": "A6B7C16",
"energy": -188.2137513,
"energy_per_atom": -6.490129355172415,
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"energy_uncorrected": -188.2137513,
"band_gap": 0.0,
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"total_magnetization": 0.0110648,
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"updated_at": "2021-11-28T01:35:58.939000Z",
"spacegroup": 225
},
{
"id": "mp-1194145",
"created_at": "2022-09-04T14:43:15.090193Z",
"structure_string": "Zr6 Ga16 Pd7\n1.0\n0.000000 6.268236 6.268236\n6.268236 0.000000 6.268236\n6.268236 6.268236 0.000000\nZr Ga Pd\n6 16 7\ndirect\n0.691710 0.691710 0.308290 Zr\n0.308290 0.691710 0.308290 Zr\n0.691710 0.308290 0.308290 Zr\n0.308290 0.308290 0.691710 Zr\n0.691710 0.308290 0.691710 Zr\n0.308290 0.691710 0.691710 Zr\n0.878544 0.878544 0.364369 Ga\n0.878544 0.364369 0.878544 Ga\n0.364369 0.878544 0.878544 Ga\n0.878544 0.878544 0.878544 Ga\n0.121456 0.121456 0.635631 Ga\n0.121456 0.635631 0.121456 Ga\n0.635631 0.121456 0.121456 Ga\n0.121456 0.121456 0.121456 Ga\n0.660203 0.660203 0.019391 Ga\n0.660203 0.019391 0.660203 Ga\n0.019391 0.660203 0.660203 Ga\n0.660203 0.660203 0.660203 Ga\n0.339797 0.339797 0.980609 Ga\n0.339797 0.980609 0.339797 Ga\n0.980609 0.339797 0.339797 Ga\n0.339797 0.339797 0.339797 Ga\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Zr",
"density": 8.117323849835326,
"density_atomic": 0.05887514424549728,
"volume": 492.5677953174254,
"volume_molar": 10.228664128428983,
"formula_full": "Zr6 Ga16 Pd7",
"formula_reduced": "Zr6Ga16Pd7",
"formula_anonymous": "A6B7C16",
"energy": -153.38826816,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:09.117000Z",
"spacegroup": 225
},
{
"id": "mp-1194002",
"created_at": "2022-09-04T14:39:41.041056Z",
"structure_string": "Zr6 Ga16 Pt7\n1.0\n0.000000 6.262971 6.262971\n6.262971 0.000000 6.262971\n6.262971 6.262971 0.000000\nZr Ga Pt\n6 16 7\ndirect\n0.688802 0.688802 0.311198 Zr\n0.311198 0.688802 0.311198 Zr\n0.688802 0.311198 0.311198 Zr\n0.311198 0.311198 0.688802 Zr\n0.688802 0.311198 0.688802 Zr\n0.311198 0.688802 0.688802 Zr\n0.879621 0.879621 0.361136 Ga\n0.879621 0.361136 0.879621 Ga\n0.361136 0.879621 0.879621 Ga\n0.879621 0.879621 0.879621 Ga\n0.120379 0.120379 0.638864 Ga\n0.120379 0.638864 0.120379 Ga\n0.638864 0.120379 0.120379 Ga\n0.120379 0.120379 0.120379 Ga\n0.660981 0.660981 0.017056 Ga\n0.660981 0.017056 0.660981 Ga\n0.017056 0.660981 0.660981 Ga\n0.660981 0.660981 0.660981 Ga\n0.339019 0.339019 0.982944 Ga\n0.339019 0.982944 0.339019 Ga\n0.982944 0.339019 0.339019 Ga\n0.339019 0.339019 0.339019 Ga\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 29,
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"elements": [
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"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Zr",
"density": 10.235415506697416,
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"volume": 491.3276417461972,
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"formula_full": "Zr6 Ga16 Pt7",
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"energy": -161.62840572,
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"updated_at": "2021-11-28T01:34:28.670000Z",
"spacegroup": 225
},
{
"id": "mp-1193205",
"created_at": "2022-09-04T14:47:46.732381Z",
"structure_string": "Zr6 Ga16 Rh7\n1.0\n0.000000 6.217145 6.217145\n6.217145 0.000000 6.217145\n6.217145 6.217145 0.000000\nZr Ga Rh\n6 16 7\ndirect\n0.695248 0.695248 0.304752 Zr\n0.304752 0.695248 0.304752 Zr\n0.695248 0.304752 0.304752 Zr\n0.304752 0.304752 0.695248 Zr\n0.695248 0.304752 0.695248 Zr\n0.304752 0.695248 0.695248 Zr\n0.878108 0.878108 0.365677 Ga\n0.878108 0.365677 0.878108 Ga\n0.365677 0.878108 0.878108 Ga\n0.878108 0.878108 0.878108 Ga\n0.121892 0.121892 0.634323 Ga\n0.121892 0.634323 0.121892 Ga\n0.634323 0.121892 0.121892 Ga\n0.121892 0.121892 0.121892 Ga\n0.657316 0.657316 0.028051 Ga\n0.657316 0.028051 0.657316 Ga\n0.028051 0.657316 0.657316 Ga\n0.657316 0.657316 0.657316 Ga\n0.342684 0.342684 0.971949 Ga\n0.342684 0.971949 0.342684 Ga\n0.971949 0.342684 0.342684 Ga\n0.342684 0.342684 0.342684 Ga\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n",
"nsites": 29,
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"elements": [
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],
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"formula_full": "Zr6 Ga16 Rh7",
"formula_reduced": "Zr6Ga16Rh7",
"formula_anonymous": "A6B7C16",
"energy": -170.30384819,
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"updated_at": "2021-11-28T01:38:18.776000Z",
"spacegroup": 225
},
{
"id": "mp-1193884",
"created_at": "2022-09-04T14:44:48.010352Z",
"structure_string": "Zr6 Ga16 Ru7\n1.0\n0.000000 6.217754 6.217754\n6.217754 0.000000 6.217754\n6.217754 6.217754 0.000000\nZr Ga Ru\n6 16 7\ndirect\n0.708668 0.708668 0.291332 Zr\n0.291332 0.708668 0.291332 Zr\n0.708668 0.291332 0.291332 Zr\n0.291332 0.291332 0.708668 Zr\n0.708668 0.291332 0.708668 Zr\n0.291332 0.708668 0.708668 Zr\n0.878226 0.878226 0.365323 Ga\n0.878226 0.365323 0.878226 Ga\n0.365323 0.878226 0.878226 Ga\n0.878226 0.878226 0.878226 Ga\n0.121774 0.121774 0.634677 Ga\n0.121774 0.634677 0.121774 Ga\n0.634677 0.121774 0.121774 Ga\n0.121774 0.121774 0.121774 Ga\n0.656895 0.656895 0.029314 Ga\n0.656895 0.029314 0.656895 Ga\n0.029314 0.656895 0.656895 Ga\n0.656895 0.656895 0.656895 Ga\n0.343105 0.343105 0.970686 Ga\n0.343105 0.970686 0.343105 Ga\n0.970686 0.343105 0.343105 Ga\n0.343105 0.343105 0.343105 Ga\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 29,
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"elements": [
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"density": 8.187296151506098,
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"volume": 480.7625193602772,
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"formula_full": "Zr6 Ga16 Ru7",
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"energy": -178.38624378,
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"updated_at": "2021-11-28T01:36:43.731000Z",
"spacegroup": 225
},
{
"id": "mp-22167",
"created_at": "2022-09-04T14:44:57.015776Z",
"structure_string": "Zr6 Ga2 Co1\n1.0\n3.939285 -6.823042 0.000000\n3.939285 6.823042 0.000000\n0.000000 0.000000 3.354316\nZr Ga Co\n6 2 1\ndirect\n0.249698 0.000000 0.000000 Zr\n0.750302 0.750302 0.000000 Zr\n0.000000 0.249698 0.000000 Zr\n0.000000 0.594971 0.500000 Zr\n0.405029 0.405029 0.500000 Zr\n0.594971 0.000000 0.500000 Zr\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 9,
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"elements": [
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],
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"density": 6.867478882738192,
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"volume": 180.31398702656588,
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"formula_full": "Zr6 Ga2 Co1",
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"formula_anonymous": "AB2C6",
"energy": -68.14095449,
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"updated_at": "2021-11-28T01:36:45.837000Z",
"spacegroup": 189
},
{
"id": "mp-1080526",
"created_at": "2022-09-04T14:40:02.274674Z",
"structure_string": "Zr6 Ga2 Fe1\n1.0\n3.942868 -6.829249 0.000000\n3.942868 6.829249 0.000000\n0.000000 0.000000 3.358121\nZr Ga Fe\n6 2 1\ndirect\n0.248598 0.000000 0.500000 Zr\n0.000000 0.248598 0.500000 Zr\n0.751402 0.751402 0.500000 Zr\n0.596642 0.000000 0.000000 Zr\n0.000000 0.596642 0.000000 Zr\n0.403358 0.403358 0.000000 Zr\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 9,
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"elements": [
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},
{
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"structure_string": "Zr6 Ga2 Ni1\n1.0\n3.917297 -6.784957 0.000000\n3.917297 6.784957 0.000000\n0.000000 0.000000 3.403651\nZr Ga Ni\n6 2 1\ndirect\n0.254688 0.000000 0.500000 Zr\n0.000000 0.254688 0.500000 Zr\n0.745312 0.745312 0.500000 Zr\n0.595863 0.000000 0.000000 Zr\n0.000000 0.595863 0.000000 Zr\n0.404137 0.404137 0.000000 Zr\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ni\n",
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"elements": [
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],
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"formula_full": "Zr6 Ga2 Ni1",
"formula_reduced": "Zr6Ga2Ni",
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},
{
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"structure_string": "Zr6 Ga4\n1.0\n7.377247 0.000000 0.000000\n0.000000 7.377247 0.000000\n0.000000 0.000000 3.706167\nZr Ga\n6 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.676797 0.176797 0.500000 Zr\n0.176797 0.323203 0.500000 Zr\n0.823203 0.676797 0.500000 Zr\n0.323203 0.823203 0.500000 Zr\n0.877053 0.377053 0.000000 Ga\n0.377053 0.122947 0.000000 Ga\n0.622947 0.877053 0.000000 Ga\n0.122947 0.622947 0.000000 Ga\n",
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"volume": 201.70359261626828,
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"formula_full": "Zr6 Ga4",
"formula_reduced": "Zr3Ga2",
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"updated_at": "2021-11-28T01:34:24.014000Z",
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}
]
}