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{
"id": "mp-976344",
"created_at": "2022-09-04T14:40:58.385391Z",
"structure_string": "Nd2 Zn1 Ga1\n1.0\n0.000000 3.698924 3.698924\n3.698924 0.000000 3.698924\n3.698924 3.698924 0.000000\nNd Zn Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
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{
"id": "mp-1178395",
"created_at": "2022-09-04T14:45:18.342975Z",
"structure_string": "Cs4 Li4 O4\n1.0\n-4.951909 4.951909 3.095851\n4.951909 -4.951909 3.095851\n4.951909 4.951909 -3.095851\nCs Li O\n4 4 4\ndirect\n0.500000 0.190580 0.690580 Cs\n0.190580 0.500000 0.690580 Cs\n0.809420 0.500000 0.309420 Cs\n0.500000 0.809420 0.309420 Cs\n0.864750 0.135250 0.000000 Li\n0.864750 0.864750 0.729499 Li\n0.135250 0.864750 0.000000 Li\n0.135250 0.135250 0.270501 Li\n0.000000 0.741717 0.741717 O\n0.741717 0.000000 0.741717 O\n0.258283 0.000000 0.258283 O\n0.000000 0.258283 0.258283 O\n",
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],
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"volume": 303.6584368291403,
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"formula_full": "Cs4 Li4 O4",
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"spacegroup": 139
},
{
"id": "mp-1222152",
"created_at": "2022-09-04T14:48:17.100957Z",
"structure_string": "Mg2 Zn1 Sb2\n1.0\n2.244953 -3.888372 0.000000\n2.244953 3.888372 0.000000\n0.000000 0.000000 7.247356\nMg Zn Sb\n2 1 2\ndirect\n0.000000 0.000000 0.373304 Mg\n0.333333 0.666667 0.006776 Mg\n0.666667 0.333333 0.626807 Zn\n0.666667 0.333333 0.225138 Sb\n0.000000 0.000000 0.767975 Sb\n",
"nsites": 5,
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"elements": [
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"Zn",
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],
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"density": 4.692322656554511,
"density_atomic": 0.03951712615808863,
"volume": 126.5274195293821,
"volume_molar": 15.23931860811024,
"formula_full": "Mg2 Zn1 Sb2",
"formula_reduced": "Mg2ZnSb2",
"formula_anonymous": "AB2C2",
"energy": -14.30440933,
"energy_per_atom": -2.860881866,
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"total_magnetization": 2.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.797000Z",
"spacegroup": 156
},
{
"id": "mp-30944",
"created_at": "2022-09-04T14:43:18.164328Z",
"structure_string": "Ce8 Ga10 Br4\n1.0\n7.843710 -8.381681 0.000000\n7.843710 8.381681 0.000000\n0.000000 0.000000 4.234080\nCe Ga Br\n8 10 4\ndirect\n0.675204 0.040984 0.500000 Ce\n0.324796 0.959016 0.500000 Ce\n0.040984 0.675204 0.500000 Ce\n0.959016 0.324796 0.500000 Ce\n0.730183 0.730183 0.000000 Ce\n0.269817 0.269817 0.000000 Ce\n0.368619 0.631381 0.000000 Ce\n0.631381 0.368619 0.000000 Ce\n0.579128 0.579128 0.500000 Ga\n0.420872 0.420872 0.500000 Ga\n0.536311 0.899198 0.000000 Ga\n0.463689 0.100802 0.000000 Ga\n0.899198 0.536311 0.000000 Ga\n0.100802 0.463689 0.000000 Ga\n0.513236 0.782282 0.500000 Ga\n0.486764 0.217718 0.500000 Ga\n0.217718 0.486764 0.500000 Ga\n0.782282 0.513236 0.500000 Ga\n0.124686 0.124686 0.500000 Br\n0.875314 0.875314 0.500000 Br\n0.823480 0.176520 0.000000 Br\n0.176520 0.823480 0.000000 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Br"
],
"chemical_system": "Br-Ce-Ga",
"density": 6.376306382452089,
"density_atomic": 0.03951672724526636,
"volume": 556.7262659038988,
"volume_molar": 15.239472445738487,
"formula_full": "Ce8 Ga10 Br4",
"formula_reduced": "Ce4Ga5Br2",
"formula_anonymous": "A2B4C5",
"energy": -105.84422608,
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"updated_at": "2021-11-28T01:36:08.174000Z",
"spacegroup": 65
},
{
"id": "mp-1204900",
"created_at": "2022-09-04T14:39:24.413440Z",
"structure_string": "Sc32 Fe8 Br40\n1.0\n11.168930 0.000000 0.000000\n0.000000 11.168930 0.000000\n0.000000 0.000000 16.229131\nSc Fe Br\n32 8 40\ndirect\n0.372662 0.627338 0.090321 Sc\n0.872662 0.872662 0.590321 Sc\n0.127338 0.127338 0.590321 Sc\n0.627338 0.372662 0.090321 Sc\n0.127338 0.872662 0.409679 Sc\n0.627338 0.627338 0.909679 Sc\n0.372662 0.372662 0.909679 Sc\n0.872662 0.127338 0.409679 Sc\n0.385728 0.182941 0.074845 Sc\n0.885728 0.317059 0.574845 Sc\n0.114272 0.682941 0.574845 Sc\n0.614272 0.817059 0.074845 Sc\n0.114272 0.317059 0.425155 Sc\n0.614272 0.182941 0.925155 Sc\n0.385728 0.817059 0.925155 Sc\n0.885728 0.682941 0.425155 Sc\n0.182941 0.385728 0.074845 Sc\n0.317059 0.885728 0.574845 Sc\n0.682941 0.114272 0.574845 Sc\n0.817059 0.614272 0.074845 Sc\n0.317059 0.114272 0.425155 Sc\n0.182941 0.614272 0.925155 Sc\n0.817059 0.385728 0.925155 Sc\n0.682941 0.885728 0.425155 Sc\n0.387757 0.387757 0.219875 Sc\n0.887757 0.112243 0.719875 Sc\n0.112243 0.887757 0.719875 Sc\n0.612243 0.612243 0.219875 Sc\n0.112243 0.112243 0.280125 Sc\n0.612243 0.387757 0.780125 Sc\n0.387757 0.612243 0.780125 Sc\n0.887757 0.887757 0.280125 Sc\n0.400626 0.400626 0.067910 Fe\n0.900626 0.099374 0.567910 Fe\n0.099374 0.900626 0.567910 Fe\n0.599374 0.599374 0.067910 Fe\n0.099374 0.099374 0.432090 Fe\n0.599374 0.400626 0.932090 Fe\n0.400626 0.599374 0.932090 Fe\n0.900626 0.900626 0.432090 Fe\n0.367470 0.132530 0.250000 Br\n0.867470 0.367470 0.750000 Br\n0.132530 0.632530 0.750000 Br\n0.632530 0.867470 0.250000 Br\n0.132530 0.367470 0.250000 Br\n0.632530 0.132530 0.750000 Br\n0.367470 0.867470 0.750000 Br\n0.867470 0.632530 0.250000 Br\n0.143960 0.143960 0.086277 Br\n0.643960 0.356040 0.586277 Br\n0.356040 0.643960 0.586277 Br\n0.856040 0.856040 0.086277 Br\n0.356040 0.356040 0.413723 Br\n0.856040 0.143960 0.913723 Br\n0.143960 0.856040 0.913723 Br\n0.643960 0.643960 0.413723 Br\n0.124699 0.875301 0.235020 Br\n0.624699 0.624699 0.735020 Br\n0.375301 0.375301 0.735020 Br\n0.875301 0.124699 0.235020 Br\n0.375301 0.624699 0.264980 Br\n0.875301 0.875301 0.764980 Br\n0.124699 0.124699 0.764980 Br\n0.624699 0.375301 0.264980 Br\n0.377969 0.891366 0.087330 Br\n0.877969 0.608634 0.587330 Br\n0.122031 0.391366 0.587330 Br\n0.622031 0.108634 0.087330 Br\n0.122031 0.608634 0.412670 Br\n0.622031 0.891366 0.912670 Br\n0.377969 0.108634 0.912670 Br\n0.877969 0.391366 0.412670 Br\n0.891366 0.377969 0.087330 Br\n0.608634 0.877969 0.587330 Br\n0.391366 0.122031 0.587330 Br\n0.108634 0.622031 0.087330 Br\n0.608634 0.122031 0.412670 Br\n0.891366 0.622031 0.912670 Br\n0.108634 0.377969 0.912670 Br\n0.391366 0.877969 0.412670 Br\n",
"nsites": 80,
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"elements": [
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"Fe",
"Br"
],
"chemical_system": "Br-Fe-Sc",
"density": 4.1679587135735146,
"density_atomic": 0.03951587318620069,
"volume": 2024.5029035050338,
"volume_molar": 15.239801817420014,
"formula_full": "Sc32 Fe8 Br40",
"formula_reduced": "Sc4FeBr5",
"formula_anonymous": "AB4C5",
"energy": -459.80429093,
"energy_per_atom": -5.747553636625,
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"updated_at": "2021-11-28T01:34:25.261000Z",
"spacegroup": 134
},
{
"id": "mp-1199290",
"created_at": "2022-09-04T14:46:52.921151Z",
"structure_string": "Cs24 U8 Cu48 S60\n1.0\n-9.603577 -9.603577 9.603577\n-9.603577 9.603577 -9.603577\n9.603577 -9.603577 -9.603577\nCs U Cu S\n24 8 48 60\ndirect\n0.816548 0.908274 0.158274 Cs\n0.683452 0.341726 0.591726 Cs\n0.750000 0.591726 0.908274 Cs\n0.750000 0.158274 0.341726 Cs\n0.158274 0.816548 0.908274 Cs\n0.591726 0.683452 0.341726 Cs\n0.908274 0.750000 0.591726 Cs\n0.341726 0.750000 0.158274 Cs\n0.908274 0.158274 0.816548 Cs\n0.341726 0.591726 0.683452 Cs\n0.591726 0.908274 0.750000 Cs\n0.158274 0.341726 0.750000 Cs\n0.183452 0.091726 0.841726 Cs\n0.316548 0.658274 0.408274 Cs\n0.250000 0.408274 0.091726 Cs\n0.250000 0.841726 0.658274 Cs\n0.841726 0.183452 0.091726 Cs\n0.408274 0.316548 0.658274 Cs\n0.091726 0.250000 0.408274 Cs\n0.658274 0.250000 0.841726 Cs\n0.091726 0.841726 0.183452 Cs\n0.658274 0.408274 0.316548 Cs\n0.408274 0.091726 0.250000 Cs\n0.841726 0.658274 0.250000 Cs\n-0.000000 0.500000 0.000000 U\n0.500000 -0.000000 0.000000 U\n-0.000000 -0.000000 0.500000 U\n0.500000 0.500000 0.500000 U\n-0.000000 0.500000 0.500000 U\n0.500000 -0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n-0.000000 -0.000000 0.000000 U\n0.932547 0.567836 0.847510 Cu\n0.567453 0.914963 0.135289 Cu\n0.779674 0.932164 0.364711 Cu\n0.720326 0.585037 0.652490 Cu\n0.847510 0.932547 0.567836 Cu\n0.135289 0.567453 0.914963 Cu\n0.364711 0.779674 0.932164 Cu\n0.652490 0.720326 0.585037 Cu\n0.567836 0.847510 0.932547 Cu\n0.914963 0.135289 0.567453 Cu\n0.932164 0.364711 0.779674 Cu\n0.585037 0.652490 0.720326 Cu\n0.067453 0.432164 0.152490 Cu\n0.432547 0.085037 0.864711 Cu\n0.220326 0.067836 0.635289 Cu\n0.279674 0.414963 0.347510 Cu\n0.152490 0.067453 0.432164 Cu\n0.864711 0.432547 0.085037 Cu\n0.635289 0.220326 0.067836 Cu\n0.347510 0.279674 0.414963 Cu\n0.432164 0.152490 0.067453 Cu\n0.085037 0.864711 0.432547 Cu\n0.067836 0.635289 0.220326 Cu\n0.414963 0.347510 0.279674 Cu\n0.067836 0.432547 0.347510 Cu\n0.414963 0.067453 0.635289 Cu\n0.432164 0.279674 0.864711 Cu\n0.085037 0.220326 0.152490 Cu\n0.432547 0.347510 0.067836 Cu\n0.067453 0.635289 0.414963 Cu\n0.279674 0.864711 0.432164 Cu\n0.220326 0.152490 0.085037 Cu\n0.347510 0.067836 0.432547 Cu\n0.635289 0.414963 0.067453 Cu\n0.864711 0.432164 0.279674 Cu\n0.152490 0.085037 0.220326 Cu\n0.932164 0.567453 0.652490 Cu\n0.585037 0.932547 0.364711 Cu\n0.567836 0.720326 0.135289 Cu\n0.914963 0.779674 0.847510 Cu\n0.567453 0.652490 0.932164 Cu\n0.932547 0.364711 0.585037 Cu\n0.720326 0.135289 0.567836 Cu\n0.779674 0.847510 0.914963 Cu\n0.652490 0.932164 0.567453 Cu\n0.364711 0.585037 0.932547 Cu\n0.135289 0.567836 0.720326 Cu\n0.847510 0.914963 0.779674 Cu\n0.077842 0.656554 0.669145 S\n0.422158 0.591303 0.078713 S\n0.512591 0.843446 0.421287 S\n0.987409 0.908697 0.830855 S\n0.669145 0.077842 0.656554 S\n0.078713 0.422158 0.591303 S\n0.421287 0.512591 0.843446 S\n0.830855 0.987409 0.908697 S\n0.656554 0.669145 0.077842 S\n0.591303 0.078713 0.422158 S\n0.843446 0.421287 0.512591 S\n0.908697 0.830855 0.987409 S\n0.922158 0.343446 0.330855 S\n0.577842 0.408697 0.921287 S\n0.487409 0.156554 0.578713 S\n0.012591 0.091303 0.169145 S\n0.330855 0.922158 0.343446 S\n0.921287 0.577842 0.408697 S\n0.578713 0.487409 0.156554 S\n0.169145 0.012591 0.091303 S\n0.343446 0.330855 0.922158 S\n0.408697 0.921287 0.577842 S\n0.156554 0.578713 0.487409 S\n0.091303 0.169145 0.012591 S\n0.156554 0.577842 0.169145 S\n0.091303 0.922158 0.578713 S\n0.343446 0.012591 0.921287 S\n0.408697 0.487409 0.330855 S\n0.577842 0.169145 0.156554 S\n0.922158 0.578713 0.091303 S\n0.012591 0.921287 0.343446 S\n0.487409 0.330855 0.408697 S\n0.169145 0.156554 0.577842 S\n0.578713 0.091303 0.922158 S\n0.921287 0.343446 0.012591 S\n0.330855 0.408697 0.487409 S\n0.843446 0.422158 0.830855 S\n0.908697 0.077842 0.421287 S\n0.656554 0.987409 0.078713 S\n0.591303 0.512591 0.669145 S\n0.422158 0.830855 0.843446 S\n0.077842 0.421287 0.908697 S\n0.987409 0.078713 0.656554 S\n0.512591 0.669145 0.591303 S\n0.830855 0.843446 0.422158 S\n0.421287 0.908697 0.077842 S\n0.078713 0.656554 0.987409 S\n0.669145 0.591303 0.512591 S\n0.250000 0.625000 0.875000 S\n0.750000 0.875000 0.625000 S\n0.875000 0.250000 0.625000 S\n0.625000 0.750000 0.875000 S\n0.625000 0.875000 0.250000 S\n0.875000 0.625000 0.750000 S\n0.750000 0.375000 0.125000 S\n0.250000 0.125000 0.375000 S\n0.125000 0.750000 0.375000 S\n0.375000 0.250000 0.125000 S\n0.375000 0.125000 0.750000 S\n0.125000 0.375000 0.250000 S\n",
"nsites": 140,
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"elements": [
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"S"
],
"chemical_system": "Cs-Cu-S-U",
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"volume": 3542.9013499988905,
"volume_molar": 15.239893306062388,
"formula_full": "Cs24 U8 Cu48 S60",
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"updated_at": "2021-11-28T01:37:41.948000Z",
"spacegroup": 230
},
{
"id": "mp-1017476",
"created_at": "2022-09-04T14:47:13.036330Z",
"structure_string": "La2 Mg12 Cd2\n1.0\n5.176037 0.000000 0.000000\n0.000000 6.618328 0.000000\n0.000000 0.000000 11.819752\nLa Mg Cd\n2 12 2\ndirect\n0.000000 0.000000 0.169152 La\n0.000000 0.500000 0.669152 La\n0.000000 0.245508 0.418851 Mg\n0.000000 0.754492 0.418851 Mg\n0.500000 0.741509 0.080187 Mg\n0.500000 0.258491 0.080187 Mg\n0.500000 0.000000 0.338608 Mg\n0.500000 0.500000 0.332265 Mg\n0.000000 0.745508 0.918851 Mg\n0.000000 0.254492 0.918851 Mg\n0.500000 0.241509 0.580187 Mg\n0.500000 0.758491 0.580187 Mg\n0.500000 0.500000 0.838608 Mg\n0.500000 0.000000 0.832265 Mg\n0.000000 0.500000 0.161896 Cd\n0.000000 0.000000 0.661896 Cd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cd-La-Mg",
"density": 3.2574351367463463,
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"volume": 404.90582370029716,
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"formula_full": "La2 Mg12 Cd2",
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},
{
"id": "mp-1205197",
"created_at": "2022-09-04T14:40:23.258093Z",
"structure_string": "Dy24 Ga16\n1.0\n-5.819363 5.819363 7.472882\n5.819363 -5.819363 7.472882\n5.819363 5.819363 -7.472882\nDy Ga\n24 16\ndirect\n0.146645 0.646645 0.500000 Dy\n0.646645 0.146645 0.500000 Dy\n0.853355 0.353355 0.500000 Dy\n0.353355 0.853355 0.500000 Dy\n0.668373 0.168373 0.836746 Dy\n0.331627 0.831627 0.163254 Dy\n0.168373 0.331627 0.500000 Dy\n0.831627 0.668373 0.500000 Dy\n0.067022 0.931439 0.270766 Dy\n0.660673 0.796256 0.729234 Dy\n0.567022 0.296256 0.135583 Dy\n0.160673 0.431439 0.864417 Dy\n0.796256 0.067022 0.135583 Dy\n0.931439 0.660673 0.864417 Dy\n0.431439 0.567022 0.270766 Dy\n0.296256 0.160673 0.729234 Dy\n0.932978 0.068561 0.729234 Dy\n0.339327 0.203744 0.270766 Dy\n0.432978 0.703744 0.864417 Dy\n0.839327 0.568561 0.135583 Dy\n0.203744 0.932978 0.864417 Dy\n0.068561 0.339327 0.135583 Dy\n0.568561 0.432978 0.729234 Dy\n0.703744 0.839327 0.270766 Dy\n0.750000 0.750000 0.000000 Ga\n0.250000 0.250000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.117193 0.617193 0.734386 Ga\n0.882807 0.382807 0.265614 Ga\n0.617193 0.882807 0.500000 Ga\n0.382807 0.117193 0.500000 Ga\n0.878479 0.378479 0.855350 Ga\n0.523128 0.023128 0.144650 Ga\n0.378479 0.523128 0.500000 Ga\n0.023128 0.878479 0.500000 Ga\n0.121521 0.621521 0.144650 Ga\n0.476872 0.976872 0.855350 Ga\n0.621521 0.476872 0.500000 Ga\n0.976872 0.121521 0.500000 Ga\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Dy-Ga",
"density": 8.227543885652816,
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"volume": 1012.2761690414244,
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"formula_full": "Dy24 Ga16",
"formula_reduced": "Dy3Ga2",
"formula_anonymous": "A2B3",
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"updated_at": "2021-11-28T01:34:48.168000Z",
"spacegroup": 140
},
{
"id": "mp-1021296",
"created_at": "2022-09-04T14:41:22.735511Z",
"structure_string": "Li2 La2 Mg12\n1.0\n5.203120 0.000000 0.000000\n0.000000 6.655686 0.000000\n0.000000 0.000000 11.692550\nLi La Mg\n2 2 12\ndirect\n0.000000 0.500000 0.340254 Li\n0.000000 0.000000 0.840254 Li\n0.500000 0.500000 0.169376 La\n0.500000 0.000000 0.669376 La\n0.000000 0.241436 0.078225 Mg\n0.000000 0.758564 0.078225 Mg\n0.000000 0.000000 0.332379 Mg\n0.500000 0.742819 0.420239 Mg\n0.500000 0.257181 0.420239 Mg\n0.500000 0.000000 0.161064 Mg\n0.000000 0.741436 0.578225 Mg\n0.000000 0.258564 0.578225 Mg\n0.000000 0.500000 0.832379 Mg\n0.500000 0.242819 0.920239 Mg\n0.500000 0.757181 0.920239 Mg\n0.500000 0.500000 0.661064 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "La-Li-Mg",
"density": 2.39229419140148,
"density_atomic": 0.03951428064095469,
"volume": 404.91689942133866,
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"formula_full": "Li2 La2 Mg12",
"formula_reduced": "LiLaMg6",
"formula_anonymous": "ABC6",
"energy": -32.48306837,
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"updated_at": "2021-11-28T01:35:11.443000Z",
"spacegroup": 38
},
{
"id": "mp-1190889",
"created_at": "2022-09-04T14:42:57.962349Z",
"structure_string": "Sr4 Gd4 Cu4 Se12\n1.0\n4.140522 0.000000 0.000000\n0.000000 10.779811 0.000000\n0.000000 0.000000 13.608029\nSr Gd Cu Se\n4 4 4 12\ndirect\n0.250000 0.269167 0.999511 Sr\n0.250000 0.769167 0.500489 Sr\n0.750000 0.730833 0.000489 Sr\n0.750000 0.230833 0.499511 Sr\n0.250000 0.012568 0.756036 Gd\n0.250000 0.512568 0.743964 Gd\n0.750000 0.987432 0.243964 Gd\n0.750000 0.487432 0.256036 Gd\n0.250000 0.239972 0.278402 Cu\n0.250000 0.739972 0.221598 Cu\n0.750000 0.760028 0.721598 Cu\n0.750000 0.260028 0.778402 Cu\n0.250000 0.259772 0.671034 Se\n0.250000 0.759772 0.828966 Se\n0.750000 0.740228 0.328966 Se\n0.750000 0.240228 0.171034 Se\n0.250000 0.053952 0.386348 Se\n0.250000 0.553952 0.113652 Se\n0.750000 0.946048 0.613652 Se\n0.750000 0.446048 0.886348 Se\n0.250000 0.416399 0.393904 Se\n0.250000 0.916399 0.106096 Se\n0.750000 0.583601 0.606096 Se\n0.750000 0.083601 0.893904 Se\n",
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"formula_full": "Sr4 Gd4 Cu4 Se12",
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"updated_at": "2021-11-28T01:36:03.769000Z",
"spacegroup": 62
},
{
"id": "mp-1192755",
"created_at": "2022-09-04T14:39:37.826091Z",
"structure_string": "Nd6 Ga2 Fe2 Se14\n1.0\n0.000000 0.000000 -6.514444\n-5.199825 -9.016755 0.000000\n-5.155366 8.991195 0.000000\nNd Ga Fe Se\n6 2 2 14\ndirect\n0.821052 0.158707 0.782209 Nd\n0.819256 0.217475 0.373682 Nd\n0.821157 0.624545 0.844244 Nd\n0.321052 0.841293 0.217791 Nd\n0.319256 0.782525 0.626318 Nd\n0.321157 0.375455 0.155756 Nd\n0.900348 0.666740 0.333772 Ga\n0.400348 0.333260 0.666228 Ga\n0.509224 0.997598 0.995246 Fe\n0.009224 0.002402 0.004754 Fe\n0.549566 0.434709 0.914083 Se\n0.549139 0.086938 0.520907 Se\n0.549870 0.479048 0.565808 Se\n0.049566 0.565291 0.085917 Se\n0.049139 0.913062 0.479093 Se\n0.049870 0.520952 0.434192 Se\n0.530862 0.666479 0.333692 Se\n0.030862 0.333521 0.666308 Se\n0.743270 0.865478 0.764211 Se\n0.744441 0.236032 0.101137 Se\n0.742615 0.899662 0.135051 Se\n0.243270 0.134522 0.235789 Se\n0.244441 0.763968 0.898863 Se\n0.242615 0.100338 0.864949 Se\n",
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],
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"density": 6.0747935318424595,
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"volume": 607.3892522829453,
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"formula_full": "Nd6 Ga2 Fe2 Se14",
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"energy": -138.73638273,
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"updated_at": "2021-11-28T01:34:33.258000Z",
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},
{
"id": "mp-1219283",
"created_at": "2022-09-04T14:40:17.497174Z",
"structure_string": "Sr12 Cd72\n1.0\n-8.059331 8.093859 8.147473\n8.059331 -8.093859 8.147473\n8.059331 8.093859 -8.147473\nSr Cd\n12 72\ndirect\n0.812727 0.517299 0.704572 Sr\n0.187273 0.482701 0.295428 Sr\n0.187273 0.891845 0.704572 Sr\n0.812727 0.108155 0.295428 Sr\n0.112897 0.301516 0.811382 Sr\n0.887103 0.698484 0.188618 Sr\n0.490134 0.301516 0.188618 Sr\n0.509866 0.698484 0.811382 Sr\n0.299551 0.186498 0.486049 Sr\n0.700449 0.813502 0.513951 Sr\n0.299551 0.813502 0.113053 Sr\n0.700449 0.186498 0.886947 Sr\n0.000042 0.677554 0.002345 Cd\n0.324791 0.322446 0.322488 Cd\n0.999958 0.002303 0.677512 Cd\n0.675209 0.997697 0.997655 Cd\n0.999958 0.322446 0.997655 Cd\n0.675209 0.677554 0.677512 Cd\n0.000042 0.997697 0.322488 Cd\n0.324791 0.002303 0.002345 Cd\n0.738085 0.641794 0.903709 Cd\n0.261915 0.358206 0.096291 Cd\n0.261915 0.165624 0.903709 Cd\n0.738085 0.834376 0.096291 Cd\n0.854649 0.093764 0.760885 Cd\n0.145351 0.906236 0.239115 Cd\n0.332879 0.093764 0.239115 Cd\n0.667121 0.906236 0.760885 Cd\n0.096140 0.244463 0.340603 Cd\n0.903860 0.755537 0.659397 Cd\n0.096140 0.755537 0.851677 Cd\n0.903860 0.244463 0.148323 Cd\n0.595972 0.251254 0.655282 Cd\n0.404028 0.748746 0.344718 Cd\n0.404028 0.059310 0.655282 Cd\n0.595972 0.940690 0.344718 Cd\n0.942485 0.346449 0.596036 Cd\n0.057515 0.653551 0.403964 Cd\n0.750413 0.346449 0.403964 Cd\n0.249587 0.653551 0.596036 Cd\n0.344017 0.403054 0.747071 Cd\n0.655983 0.596946 0.252929 Cd\n0.344017 0.596946 0.940962 Cd\n0.655983 0.403054 0.059038 Cd\n0.587645 0.587645 0.000000 Cd\n0.412355 0.412355 0.000000 Cd\n0.592989 0.000000 0.592989 Cd\n0.407011 0.000000 0.407011 Cd\n0.000000 0.406415 0.406415 Cd\n0.000000 0.593585 0.593585 Cd\n0.777264 0.455016 0.919444 Cd\n0.464428 0.544984 0.322248 Cd\n0.222736 0.142180 0.677752 Cd\n0.535572 0.857820 0.080556 Cd\n0.858810 0.081351 0.540407 Cd\n0.141190 0.681597 0.222541 Cd\n0.540944 0.318403 0.459593 Cd\n0.459056 0.918649 0.777459 Cd\n0.316735 0.458832 0.542038 Cd\n0.916794 0.774697 0.457962 Cd\n0.083206 0.541168 0.857903 Cd\n0.683265 0.225303 0.142097 Cd\n0.222736 0.544984 0.080556 Cd\n0.535572 0.455016 0.677752 Cd\n0.777264 0.857820 0.322248 Cd\n0.464428 0.142180 0.919444 Cd\n0.141190 0.918649 0.459593 Cd\n0.858810 0.318403 0.777459 Cd\n0.459056 0.681597 0.540407 Cd\n0.540944 0.081351 0.222541 Cd\n0.683265 0.541168 0.457962 Cd\n0.083206 0.225303 0.542038 Cd\n0.916794 0.458832 0.142097 Cd\n0.316735 0.774697 0.857903 Cd\n0.500000 0.313139 0.813139 Cd\n0.500000 0.686861 0.186861 Cd\n0.691713 0.191713 0.500000 Cd\n0.308287 0.808287 0.500000 Cd\n0.187312 0.500000 0.687312 Cd\n0.812688 0.500000 0.312688 Cd\n0.913013 0.821888 0.908875 Cd\n0.086987 0.178112 0.091125 Cd\n0.086987 0.995862 0.908875 Cd\n0.913013 0.004138 0.091125 Cd\n",
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"elements": [
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],
"chemical_system": "Cd-Sr",
"density": 7.143265273565781,
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"volume": 2125.874137350457,
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"formula_full": "Sr12 Cd72",
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"formula_anonymous": "AB6",
"energy": -102.99380351,
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"updated_at": "2021-11-28T01:34:59.061000Z",
"spacegroup": 71
}
]
}