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{
"id": "mp-1185771",
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"structure_string": "Mg2 Pd1\n1.0\n-1.638832 1.638832 5.050812\n1.638832 -1.638832 5.050812\n1.638832 1.638832 -5.050812\nMg Pd\n2 1\ndirect\n0.648258 0.648258 0.000000 Mg\n0.351742 0.351742 0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n",
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{
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{
"id": "mp-1207694",
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"structure_string": "Tm4 Sb4 Ir4\n1.0\n4.470073 0.000000 0.000000\n0.000000 7.110444 0.000000\n0.000000 0.000000 7.978782\nTm Sb Ir\n4 4 4\ndirect\n0.250000 0.512188 0.188434 Tm\n0.750000 0.487812 0.811566 Tm\n0.750000 0.987812 0.688434 Tm\n0.250000 0.012188 0.311566 Tm\n0.250000 0.674745 0.588387 Sb\n0.750000 0.325255 0.411613 Sb\n0.750000 0.825255 0.088387 Sb\n0.250000 0.174745 0.911613 Sb\n0.250000 0.786082 0.908712 Ir\n0.750000 0.213918 0.091288 Ir\n0.750000 0.713918 0.408712 Ir\n0.250000 0.286082 0.591288 Ir\n",
"nsites": 12,
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"formula_full": "Tm4 Sb4 Ir4",
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},
{
"id": "mp-1184134",
"created_at": "2022-09-04T14:40:55.643023Z",
"structure_string": "Er2 Cd1 Os1\n1.0\n0.000000 3.516244 3.516244\n3.516244 0.000000 3.516244\n3.516244 3.516244 0.000000\nEr Cd Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Os\n",
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"formula_full": "Er2 Cd1 Os1",
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"spacegroup": 225
},
{
"id": "mp-30207",
"created_at": "2022-09-04T14:41:31.844763Z",
"structure_string": "La3 Ga1 Br3\n1.0\n6.144852 0.000000 0.000000\n0.000000 6.144852 0.000000\n0.000000 0.000000 6.144852\nLa Ga Br\n3 1 3\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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"formula_full": "La3 Ga1 Br3",
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"formula_anonymous": "AB3C3",
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"updated_at": "2021-11-28T01:35:30.369000Z",
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},
{
"id": "mp-1113563",
"created_at": "2022-09-04T14:40:57.637100Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n0.000000 5.552305 5.552305\n5.552305 0.000000 5.552305\n5.552305 5.552305 0.000000\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.770408 0.229592 0.229592 Br\n0.229592 0.229592 0.770408 Br\n0.229592 0.770408 0.770408 Br\n0.229592 0.770408 0.229592 Br\n0.770408 0.229592 0.770408 Br\n0.770408 0.770408 0.229592 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Al-Br-Hg-Rb",
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"density_atomic": 0.029211244502618115,
"volume": 342.3339255232255,
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"formula_full": "Rb2 Al1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-1202088",
"created_at": "2022-09-04T14:40:55.653315Z",
"structure_string": "Mg4 B8 H32\n1.0\n-4.189958 4.189958 5.332222\n4.189958 -4.189958 5.332222\n4.189958 4.189958 -5.332222\nMg B H\n4 8 32\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.644124 0.409561 0.765437 B\n0.159561 0.894124 0.265437 B\n0.628687 0.894124 0.734563 B\n0.644124 0.878687 0.234563 B\n0.105876 0.840439 0.734563 B\n0.590439 0.355876 0.234563 B\n0.121313 0.355876 0.765437 B\n0.105876 0.371313 0.265437 B\n0.737752 0.450537 0.958167 H\n0.492371 0.450537 0.712785 H\n0.200537 0.987752 0.458167 H\n0.529586 0.987753 0.787215 H\n0.737752 0.779586 0.287215 H\n0.492371 0.779586 0.041833 H\n0.200537 0.742371 0.212785 H\n0.529586 0.742371 0.541833 H\n0.012247 0.799463 0.541833 H\n0.257629 0.799463 0.787215 H\n0.549463 0.262247 0.041833 H\n0.220414 0.262247 0.712785 H\n0.012247 0.470414 0.212785 H\n0.257629 0.470414 0.458167 H\n0.549463 0.507629 0.287215 H\n0.220414 0.507629 0.958167 H\n0.588199 0.950915 0.362716 H\n0.700915 0.838199 0.862716 H\n0.975484 0.838199 0.137284 H\n0.588199 0.225484 0.637284 H\n0.161801 0.299085 0.137284 H\n0.049085 0.411801 0.637284 H\n0.774516 0.411801 0.362716 H\n0.161801 0.024516 0.862716 H\n0.758486 0.511456 0.752970 H\n0.261456 0.008486 0.252970 H\n0.755516 0.008486 0.747030 H\n0.758486 0.005516 0.247030 H\n0.991514 0.738544 0.747030 H\n0.488544 0.241514 0.247030 H\n0.994484 0.241514 0.752970 H\n0.991514 0.244484 0.252970 H\n",
"nsites": 44,
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{
"id": "mp-866482",
"created_at": "2022-09-04T14:40:56.372574Z",
"structure_string": "Cs16 Si16\n1.0\n-5.738243 5.738243 9.328267\n5.738243 -5.738243 9.328267\n5.738243 5.738243 -9.328267\nCs Si\n16 16\ndirect\n0.265526 0.875000 0.890526 Cs\n0.984474 0.375000 0.109474 Cs\n0.625000 0.234474 0.109474 Cs\n0.125000 0.515526 0.890526 Cs\n0.625000 0.734474 0.609474 Cs\n0.125000 0.015526 0.390526 Cs\n0.765526 0.875000 0.390526 Cs\n0.484474 0.375000 0.609474 Cs\n0.370881 0.370881 0.241762 Cs\n0.129119 0.129119 0.758238 Cs\n0.879119 0.620881 0.500000 Cs\n0.120881 0.379119 0.500000 Cs\n0.379119 0.879119 0.258238 Cs\n0.620881 0.120881 0.741762 Cs\n0.870881 0.629119 0.000000 Cs\n0.629119 0.870881 0.000000 Cs\n0.455985 0.602671 0.966984 Si\n0.635687 0.489001 0.033016 Si\n0.794015 0.260999 0.646686 Si\n0.614313 0.147329 0.353314 Si\n0.897329 0.044015 0.033016 Si\n0.010999 0.864313 0.966984 Si\n0.239001 0.705985 0.353314 Si\n0.352671 0.885687 0.646686 Si\n0.294015 0.647329 0.533016 Si\n0.114313 0.760999 0.466984 Si\n0.955985 0.989001 0.853314 Si\n0.135687 0.102671 0.146686 Si\n0.852671 0.205985 0.466984 Si\n0.739001 0.385687 0.533016 Si\n0.510999 0.544015 0.146686 Si\n0.397329 0.364313 0.853314 Si\n",
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{
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"structure_string": "Y4 Si4 Rh4\n1.0\n4.248755 0.000000 0.000000\n0.000000 6.916845 0.000000\n0.000000 0.000000 7.458898\nY Si Rh\n4 4 4\ndirect\n0.750000 0.498824 0.310216 Y\n0.250000 0.001176 0.810216 Y\n0.750000 0.998824 0.189784 Y\n0.250000 0.501176 0.689784 Y\n0.250000 0.296583 0.103259 Si\n0.250000 0.796583 0.396741 Si\n0.750000 0.703417 0.896741 Si\n0.750000 0.203417 0.603259 Si\n0.250000 0.653999 0.069568 Rh\n0.250000 0.153999 0.430432 Rh\n0.750000 0.846001 0.569568 Rh\n0.750000 0.346001 0.930432 Rh\n",
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{
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{
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{
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"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011762,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.260000Z",
"spacegroup": 225
}
]
}