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{
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{
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{
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{
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"created_at": "2022-09-04T14:39:41.988025Z",
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{
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"structure_string": "Rb4 V12 Cd12 O44\n1.0\n9.968229 0.000000 0.000000\n0.000000 8.568776 0.000000\n0.000000 1.864606 12.738654\nRb V Cd O\n4 12 12 44\ndirect\n0.747572 0.888623 0.509737 Rb\n0.247572 0.111377 0.990263 Rb\n0.252428 0.111377 0.490263 Rb\n0.752428 0.888623 0.009737 Rb\n0.675213 0.679163 0.784161 V\n0.431847 0.764436 0.149269 V\n0.068153 0.764436 0.649269 V\n0.567791 0.222452 0.605392 V\n0.568153 0.235564 0.850731 V\n0.324787 0.320837 0.215839 V\n0.824787 0.679163 0.284161 V\n0.432209 0.777548 0.394608 V\n0.175213 0.320837 0.715839 V\n0.067791 0.777548 0.894608 V\n0.932209 0.222452 0.105392 V\n0.931847 0.235564 0.350731 V\n0.895091 0.432576 0.846955 Cd\n0.645168 0.452376 0.067819 Cd\n0.375104 0.919686 0.761253 Cd\n0.124896 0.919686 0.261253 Cd\n0.875104 0.080314 0.738747 Cd\n0.854832 0.452376 0.567819 Cd\n0.354832 0.547624 0.932181 Cd\n0.604909 0.432576 0.346955 Cd\n0.145168 0.547624 0.432181 Cd\n0.624896 0.080314 0.238747 Cd\n0.395091 0.567424 0.653045 Cd\n0.104909 0.567424 0.153045 Cd\n0.007735 0.678934 0.282968 O\n0.769519 0.868799 0.266357 O\n0.269519 0.131201 0.233643 O\n0.256225 0.784195 0.396673 O\n0.495208 0.676023 0.507503 O\n0.730481 0.868799 0.766357 O\n0.258288 0.782513 0.149100 O\n0.498371 0.962070 0.376534 O\n0.510490 0.346350 0.944840 O\n0.732649 0.583387 0.907263 O\n0.983597 0.323401 0.216867 O\n0.992265 0.321066 0.717032 O\n0.504792 0.323977 0.492497 O\n0.232649 0.416613 0.592737 O\n0.741712 0.217487 0.850900 O\n0.489510 0.653650 0.055160 O\n0.483597 0.676599 0.283133 O\n0.267351 0.416613 0.092737 O\n0.260678 0.420159 0.312832 O\n0.743775 0.215805 0.603327 O\n0.010490 0.653650 0.555160 O\n0.516403 0.323401 0.716867 O\n0.998371 0.037930 0.123466 O\n0.004792 0.676023 0.007503 O\n0.758288 0.217487 0.350900 O\n0.997856 0.946227 0.627583 O\n0.239322 0.420159 0.812832 O\n0.002144 0.053773 0.372417 O\n0.001629 0.962070 0.876534 O\n0.016403 0.676599 0.783133 O\n0.739322 0.579841 0.687168 O\n0.497856 0.053773 0.872417 O\n0.756225 0.215805 0.103327 O\n0.507735 0.321066 0.217032 O\n0.995208 0.323977 0.992497 O\n0.243775 0.784195 0.896673 O\n0.767351 0.583387 0.407263 O\n0.501629 0.037930 0.623466 O\n0.989510 0.346350 0.444840 O\n0.760678 0.579841 0.187168 O\n0.502144 0.946227 0.127583 O\n0.230481 0.131201 0.733643 O\n0.492265 0.678934 0.782968 O\n0.241712 0.782513 0.649100 O\n",
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"formula_full": "Rb4 V12 Cd12 O44",
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{
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{
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"structure_string": "Li4 Co4 B4 O12\n1.0\n2.075589 3.855833 2.504227\n-6.444395 0.060894 -0.048178\n-1.946209 -4.181027 7.569473\nLi Co B O\n4 4 4 12\ndirect\n0.734517 0.656145 0.321301 Li\n0.234539 0.656077 0.821325 Li\n0.765483 0.343857 0.178700 Li\n0.265444 0.343944 0.678679 Li\n0.806977 0.824833 0.627266 Co\n0.693022 0.175167 0.872744 Co\n0.307046 0.824838 0.127245 Co\n0.192908 0.175116 0.372767 Co\n0.283503 0.747035 0.466018 B\n0.783531 0.747015 0.965955 B\n0.216493 0.252972 0.033976 B\n0.716491 0.253004 0.534022 B\n0.407303 0.732019 0.335374 O\n0.907292 0.731937 0.835314 O\n0.092679 0.267975 0.164640 O\n0.592704 0.268051 0.664693 O\n0.053392 0.819760 0.453438 O\n0.553451 0.819803 0.953391 O\n0.446614 0.180218 0.046569 O\n0.946588 0.180207 0.546604 O\n0.880543 0.690664 0.109936 O\n0.380481 0.690694 0.609974 O\n0.619461 0.309352 0.390045 O\n0.119539 0.309318 0.890023 O\n",
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{
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{
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"structure_string": "Ce3 In3 Ir3\n1.0\n3.783547 -6.553295 0.000000\n3.783547 6.553295 0.000000\n0.000000 0.000000 4.024506\nCe In Ir\n3 3 3\ndirect\n0.411810 0.411810 0.000000 Ce\n0.588190 0.000000 0.000000 Ce\n0.000000 0.588190 0.000000 Ce\n0.000000 0.252072 0.500000 In\n0.747928 0.747928 0.500000 In\n0.252072 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 Ir\n0.666667 0.333333 0.500000 Ir\n",
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"energy_uncorrected": -58.7343541,
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"updated_at": "2021-11-28T01:34:25.024000Z",
"spacegroup": 189
},
{
"id": "mp-902",
"created_at": "2022-09-04T14:39:18.021922Z",
"structure_string": "Ba1 Zn1\n1.0\n4.121492 0.000000 0.000000\n0.000000 4.121492 0.000000\n0.000000 0.000000 4.121492\nBa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Zn"
],
"chemical_system": "Ba-Zn",
"density": 4.808577139868578,
"density_atomic": 0.02856713006236093,
"volume": 70.01053293187233,
"volume_molar": 21.080664199917532,
"formula_full": "Ba1 Zn1",
"formula_reduced": "BaZn",
"formula_anonymous": "AB",
"energy": -3.51347611,
"energy_per_atom": -1.756738055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.51347611,
"band_gap": 0.0,
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"total_magnetization": 0.0001821,
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"updated_at": "2021-11-28T01:34:25.024000Z",
"spacegroup": 221
},
{
"id": "mp-16035",
"created_at": "2022-09-04T14:39:14.285528Z",
"structure_string": "Gd2 Te1 O2\n1.0\n-1.990842 1.990842 6.345507\n1.990842 -1.990842 6.345507\n1.990842 1.990842 -6.345507\nGd Te O\n2 1 2\ndirect\n0.661055 0.661055 0.000000 Gd\n0.338945 0.338945 0.000000 Gd\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Te",
"O"
],
"chemical_system": "Gd-O-Te",
"density": 7.825607218137863,
"density_atomic": 0.04970156876202206,
"volume": 100.60044631469657,
"volume_molar": 12.11660096451852,
"formula_full": "Gd2 Te1 O2",
"formula_reduced": "Gd2TeO2",
"formula_anonymous": "AB2C2",
"energy": -57.6306722,
"energy_per_atom": -11.52613444,
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"decomposes_to": null,
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"energy_uncorrected": -55.8346722,
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"is_magnetic": true,
"total_magnetization": 14.0000001,
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"updated_at": "2021-11-28T01:34:25.031000Z",
"spacegroup": 139
}
]
}