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{
"id": "mp-997160",
"created_at": "2022-09-04T14:41:25.801762Z",
"structure_string": "Mn2 Ag2 O4\n1.0\n-3.032222 0.000004 0.744306\n1.424756 2.676657 -0.744303\n-3.003929 0.016986 -12.237517\nMn Ag O\n2 2 4\ndirect\n0.749999 0.500000 0.750000 Mn\n0.250003 0.500000 0.250001 Mn\n0.000009 0.000019 0.999972 Ag\n0.499990 0.999981 0.500028 Ag\n0.943506 0.887024 0.169459 O\n0.443494 0.886973 0.669539 O\n0.556493 0.112976 0.330541 O\n0.056506 0.113027 0.830460 O\n",
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{
"id": "mp-997159",
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"structure_string": "Cr2 Au2 O4\n1.0\n-1.537416 -2.662883 0.000000\n-3.074832 0.000000 0.000000\n0.000000 0.000000 -12.365458\nCr Au O\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.666666 0.666667 0.250000 Au\n0.333334 0.333333 0.750000 Au\n0.333334 0.333333 0.580140 O\n0.333334 0.333333 0.919860 O\n0.666666 0.666667 0.419860 O\n0.666666 0.666667 0.080140 O\n",
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"updated_at": "2021-11-28T01:36:35.131000Z",
"spacegroup": 194
},
{
"id": "mp-997158",
"created_at": "2022-09-04T14:41:05.730612Z",
"structure_string": "Co2 Au2 O4\n1.0\n1.461541 -2.531463 0.000000\n1.461541 2.531463 0.000000\n0.000000 0.000000 12.310674\nCo Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.333333 0.666667 0.422300 O\n0.333333 0.666667 0.077700 O\n0.666667 0.333333 0.577700 O\n0.666667 0.333333 0.922300 O\n",
"nsites": 8,
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"formula_full": "Co2 Au2 O4",
"formula_reduced": "CoAuO2",
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"updated_at": "2021-11-28T01:35:22.607000Z",
"spacegroup": 194
},
{
"id": "mp-997109",
"created_at": "2022-09-04T14:43:54.342403Z",
"structure_string": "Pb2 Au2 O4\n1.0\n3.763681 0.000000 0.000000\n0.066588 5.664323 0.000000\n0.908897 0.207055 6.911383\nPb Au O\n2 2 4\ndirect\n0.313660 0.496952 0.262781 Pb\n0.686340 0.503048 0.737219 Pb\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.210309 0.313453 0.566814 O\n0.890199 0.176627 0.251619 O\n0.109801 0.823373 0.748381 O\n0.789691 0.686547 0.433186 O\n",
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"density": 9.83115392457831,
"density_atomic": 0.05429554659347276,
"volume": 147.341734302786,
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"formula_full": "Pb2 Au2 O4",
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{
"id": "mp-997108",
"created_at": "2022-09-04T14:41:24.458209Z",
"structure_string": "Rb2 Ag2 O4\n1.0\n4.688453 3.533310 0.000000\n-4.688453 3.533310 0.000000\n0.000000 1.889245 5.631693\nRb Ag O\n2 2 4\ndirect\n0.646257 0.353743 0.250000 Rb\n0.353743 0.646257 0.750000 Rb\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.754506 0.846202 0.325614 O\n0.846202 0.754506 0.825614 O\n0.245494 0.153798 0.674386 O\n0.153798 0.245494 0.174386 O\n",
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"volume": 186.58652526592772,
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"formula_full": "Rb2 Ag2 O4",
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"updated_at": "2021-11-28T01:35:18.102000Z",
"spacegroup": 15
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{
"id": "mp-997107",
"created_at": "2022-09-04T14:47:35.591550Z",
"structure_string": "Cu2 O4 F2\n1.0\n-1.553752 2.472673 5.821930\n1.553752 -2.472673 5.821930\n1.553752 2.472673 -5.821930\nCu O F\n2 4 2\ndirect\n0.944812 0.351510 0.593302 Cu\n0.241791 0.648490 0.593302 Cu\n0.820148 0.555124 0.265025 O\n0.709901 0.444876 0.265025 O\n0.204445 0.942559 0.261886 O\n0.319328 0.057441 0.261886 O\n0.170841 0.246114 0.924727 F\n0.678614 0.753886 0.924727 F\n",
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"density": 4.251802266204903,
"density_atomic": 0.0894158746195128,
"volume": 89.4695716397343,
"volume_molar": 6.734979426892299,
"formula_full": "Cu2 O4 F2",
"formula_reduced": "CuO2F",
"formula_anonymous": "ABC2",
"energy": -38.4138295,
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"updated_at": "2021-11-28T01:38:16.832000Z",
"spacegroup": 44
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{
"id": "mp-997106",
"created_at": "2022-09-04T14:44:03.168419Z",
"structure_string": "Ag2 Rh2 O4\n1.0\n1.561590 -2.704753 0.000000\n1.561590 2.704753 0.000000\n0.000000 0.000000 12.638700\nAg Rh O\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.250000 Ag\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.666667 0.333333 0.580230 O\n0.666667 0.333333 0.919770 O\n0.333333 0.666667 0.080230 O\n0.333333 0.666667 0.419770 O\n",
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"formula_full": "Ag2 Rh2 O4",
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"spacegroup": 194
},
{
"id": "mp-997104",
"created_at": "2022-09-04T14:39:19.293356Z",
"structure_string": "Cu2 Cl2 O4\n1.0\n1.838399 6.267193 0.000000\n-1.838399 6.267193 0.000000\n0.000000 2.202268 5.946885\nCu Cl O\n2 2 4\ndirect\n0.668411 0.668411 0.263773 Cu\n0.331589 0.331589 0.736227 Cu\n0.718857 0.718857 0.773265 Cl\n0.281143 0.281143 0.226735 Cl\n0.795520 0.143897 0.685780 O\n0.856103 0.204480 0.314220 O\n0.204480 0.856103 0.314220 O\n0.143897 0.795520 0.685780 O\n",
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"density": 3.1747586493892856,
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"volume": 137.03527641731011,
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"formula_full": "Cu2 Cl2 O4",
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"spacegroup": 12
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{
"id": "mp-997102",
"created_at": "2022-09-04T14:39:57.698505Z",
"structure_string": "K2 Ag2 O4\n1.0\n4.380313 3.423368 0.000000\n-4.380313 3.423368 0.000000\n0.000000 1.942332 5.574834\nK Ag O\n2 2 4\ndirect\n0.859300 0.140700 0.250000 K\n0.140700 0.859300 0.750000 K\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.242000 0.345880 0.828610 O\n0.758000 0.654120 0.171390 O\n0.654120 0.758000 0.671390 O\n0.345880 0.242000 0.328610 O\n",
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{
"id": "mp-997101",
"created_at": "2022-09-04T14:48:13.199837Z",
"structure_string": "Ag2 O4 F2\n1.0\n1.953866 6.638015 0.000000\n-1.953866 6.638015 0.000000\n0.000000 0.893292 4.725785\nAg O F\n2 4 2\ndirect\n0.670609 0.670609 0.287581 Ag\n0.329391 0.329391 0.712419 Ag\n0.129594 0.805839 0.723468 O\n0.805839 0.129594 0.723468 O\n0.194161 0.870406 0.276532 O\n0.870406 0.194161 0.276532 O\n0.742962 0.742962 0.743216 F\n0.257038 0.257038 0.256784 F\n",
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{
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"structure_string": "Sr2 Ag2 O4\n1.0\n-3.007490 3.007490 3.430072\n3.007490 -3.007490 3.430072\n3.007490 3.007490 -3.430072\nSr Ag O\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.238450 0.261550 0.500000 O\n0.738450 0.238450 0.976900 O\n0.761550 0.738450 0.500000 O\n0.261550 0.761550 0.023100 O\n",
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{
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"structure_string": "Y2 Ge2\n1.0\n2.153311 -5.383151 0.000000\n2.153311 5.383151 0.000000\n0.000000 0.000000 3.968930\nY Ge\n2 2\ndirect\n0.138171 0.861829 0.250000 Y\n0.861829 0.138171 0.750000 Y\n0.414762 0.585238 0.250000 Ge\n0.585238 0.414762 0.750000 Ge\n",
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"formula_full": "Y2 Ge2",
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]
}