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{
"id": "mp-11156",
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{
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{
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"spacegroup": 61
},
{
"id": "mp-11151",
"created_at": "2022-09-04T14:48:07.898428Z",
"structure_string": "Na4 Pr4 Te8\n1.0\n0.000000 6.500350 6.500350\n6.500350 0.000000 6.500350\n6.500350 6.500350 0.000000\nNa Pr Te\n4 4 8\ndirect\n0.125000 0.625000 0.125000 Na\n0.125000 0.125000 0.625000 Na\n0.625000 0.125000 0.125000 Na\n0.125000 0.125000 0.125000 Na\n0.625000 0.125000 0.625000 Pr\n0.625000 0.625000 0.625000 Pr\n0.125000 0.625000 0.625000 Pr\n0.625000 0.625000 0.125000 Pr\n0.377831 0.866506 0.377831 Te\n0.872169 0.383494 0.872169 Te\n0.872169 0.872169 0.383494 Te\n0.872169 0.872169 0.872169 Te\n0.866506 0.377831 0.377831 Te\n0.377831 0.377831 0.866506 Te\n0.377831 0.377831 0.377831 Te\n0.383494 0.872169 0.872169 Te\n",
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"formula_full": "Na4 Pr4 Te8",
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{
"id": "mp-1115",
"created_at": "2022-09-04T14:41:11.123812Z",
"structure_string": "Pt1 Se2\n1.0\n1.880512 -3.257143 0.000000\n1.880512 3.257143 0.000000\n0.000000 0.000000 6.117971\nPt Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.786417 Se\n0.333333 0.666667 0.213583 Se\n",
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"formula_full": "Pt1 Se2",
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"updated_at": "2021-11-28T01:35:16.131000Z",
"spacegroup": 164
},
{
"id": "mp-11147",
"created_at": "2022-09-04T14:39:49.999009Z",
"structure_string": "Na5 Cu1 S1 O2\n1.0\n4.577351 0.000000 0.000000\n0.000000 4.577351 0.000000\n0.000000 0.000000 8.207251\nNa Cu S O\n5 1 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.739246 Na\n0.500000 0.000000 0.260754 Na\n0.000000 0.500000 0.260754 Na\n0.500000 0.000000 0.739246 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.220573 O\n0.000000 0.000000 0.779427 O\n",
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"formula_full": "Na5 Cu1 S1 O2",
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"updated_at": "2021-11-28T01:34:37.033000Z",
"spacegroup": 123
},
{
"id": "mp-1114668",
"created_at": "2022-09-04T14:40:20.238254Z",
"structure_string": "Rb2 Na1 Au1 Cl6\n1.0\n0.000000 5.276944 5.276944\n5.276944 0.000000 5.276944\n5.276944 5.276944 0.000000\nRb Na Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.761271 0.238729 0.238729 Cl\n0.238729 0.238729 0.761271 Cl\n0.238729 0.761271 0.761271 Cl\n0.238729 0.761271 0.238729 Cl\n0.761271 0.238729 0.761271 Cl\n0.761271 0.761271 0.238729 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 293.88502146434774,
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"formula_full": "Rb2 Na1 Au1 Cl6",
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{
"id": "mp-1114630",
"created_at": "2022-09-04T14:41:35.114911Z",
"structure_string": "Rb3 Pr1 Cl6\n1.0\n0.000000 5.874747 5.874747\n5.874747 0.000000 5.874747\n5.874747 5.874747 0.000000\nRb Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n0.765901 0.234099 0.234098 Cl\n0.234098 0.234098 0.765901 Cl\n0.234098 0.765901 0.765901 Cl\n0.234098 0.765902 0.234098 Cl\n0.765901 0.234099 0.765902 Cl\n0.765902 0.765902 0.234098 Cl\n",
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"volume": 405.5062012875349,
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"formula_full": "Rb3 Pr1 Cl6",
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{
"id": "mp-1114627",
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"structure_string": "Rb3 La1 Cl6\n1.0\n0.000000 5.900858 5.900858\n5.900858 0.000000 5.900858\n5.900858 5.900858 0.000000\nRb La Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 La\n0.765122 0.234878 0.234878 Cl\n0.234878 0.234878 0.765122 Cl\n0.234878 0.765122 0.765122 Cl\n0.234878 0.765122 0.234878 Cl\n0.765122 0.234878 0.765122 Cl\n0.765122 0.765122 0.234878 Cl\n",
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"formula_full": "Rb3 La1 Cl6",
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{
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"structure_string": "Ba2 Cu18 Ge8\n1.0\n-4.186778 4.186778 6.031195\n4.186778 -4.186778 6.031195\n4.186778 4.186778 -6.031195\nBa Cu Ge\n2 18 8\ndirect\n0.250000 0.250000 0.000000 Ba\n0.750000 0.750000 0.000000 Ba\n0.060946 0.560946 0.266451 Cu\n0.705505 0.205505 0.266451 Cu\n0.939054 0.439054 0.733549 Cu\n0.439054 0.705505 0.500000 Cu\n0.205505 0.939054 0.500000 Cu\n0.560946 0.294495 0.500000 Cu\n0.794495 0.060946 0.500000 Cu\n0.294495 0.794495 0.733549 Cu\n0.438383 0.295859 0.734242 Cu\n0.795859 0.938383 0.734242 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.561617 0.704141 0.265758 Cu\n0.704141 0.438383 0.142524 Cu\n0.295859 0.561617 0.857476 Cu\n0.938383 0.204141 0.142524 Cu\n0.061617 0.795859 0.857476 Cu\n0.204141 0.061617 0.265758 Cu\n0.799284 0.299284 0.857045 Ge\n0.557761 0.057761 0.857045 Ge\n0.200716 0.700716 0.142955 Ge\n0.700716 0.557761 0.500000 Ge\n0.057761 0.200716 0.500000 Ge\n0.299284 0.442239 0.500000 Ge\n0.942239 0.799284 0.500000 Ge\n0.442239 0.942239 0.142955 Ge\n",
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"volume": 422.8859228592719,
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"formula_full": "Ba2 Cu18 Ge8",
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{
"id": "mp-1114492",
"created_at": "2022-09-04T14:39:43.291575Z",
"structure_string": "Rb3 Au1 Cl6\n1.0\n0.000000 5.581277 5.581277\n5.581277 0.000000 5.581277\n5.581277 5.581277 0.000000\nRb Au Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.774751 0.225249 0.225249 Cl\n0.225249 0.225249 0.774751 Cl\n0.225249 0.774751 0.774751 Cl\n0.225249 0.774751 0.225249 Cl\n0.774751 0.225249 0.774751 Cl\n0.774751 0.774751 0.225249 Cl\n",
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"volume": 347.72084569777184,
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"formula_full": "Rb3 Au1 Cl6",
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{
"id": "mp-1114414",
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"structure_string": "Rb2 Li1 Au1 Cl6\n1.0\n0.000000 5.109155 5.109155\n5.109155 0.000000 5.109155\n5.109155 5.109155 0.000000\nRb Li Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.752602 0.247398 0.247398 Cl\n0.247398 0.247398 0.752602 Cl\n0.247398 0.752602 0.752602 Cl\n0.247398 0.752602 0.247398 Cl\n0.752602 0.247398 0.752602 Cl\n0.752602 0.752602 0.247398 Cl\n",
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"formula_full": "Rb2 Li1 Au1 Cl6",
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]
}