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{
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"results": [
{
"id": "mp-1034162",
"created_at": "2022-09-04T14:47:15.853317Z",
"structure_string": "Rb1 Mg14 C1 O16\n1.0\n4.580335 0.000000 0.000000\n0.000000 8.146228 0.000000\n0.000000 0.000000 9.155013\nRb Mg C O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.741828 0.000000 Mg\n0.500000 0.258172 0.000000 Mg\n0.500000 0.748344 0.500000 Mg\n0.500000 0.251656 0.500000 Mg\n0.500000 0.000000 0.743043 Mg\n0.500000 0.500000 0.751940 Mg\n0.500000 0.000000 0.256957 Mg\n0.500000 0.500000 0.248060 Mg\n0.000000 0.745512 0.725336 Mg\n0.000000 0.254488 0.725336 Mg\n0.000000 0.745512 0.274664 Mg\n0.000000 0.254488 0.274664 Mg\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.720574 O\n0.000000 0.500000 0.720832 O\n0.000000 0.000000 0.279426 O\n0.000000 0.500000 0.279168 O\n0.500000 0.750592 0.754909 O\n0.500000 0.249408 0.754909 O\n0.500000 0.750592 0.245091 O\n0.500000 0.249408 0.245091 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.659130 0.000000 O\n0.000000 0.340870 0.000000 O\n0.000000 0.750233 0.500000 O\n0.000000 0.249767 0.500000 O\n",
"nsites": 32,
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"elements": [
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],
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"density_atomic": 0.0936779134689409,
"volume": 341.5959943494009,
"volume_molar": 6.428559878200803,
"formula_full": "Rb1 Mg14 C1 O16",
"formula_reduced": "RbMg14CO16",
"formula_anonymous": "ABC14D16",
"energy": -192.56178983,
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"spacegroup": 47
},
{
"id": "mp-1039667",
"created_at": "2022-09-04T14:41:56.812728Z",
"structure_string": "Rb1 Mg30 C1 O32\n1.0\n8.689881 0.000000 0.000000\n0.000000 8.689881 0.000000\n0.000000 0.000000 8.430510\nRb Mg C O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260180 0.000000 0.254105 Mg\n0.260180 0.000000 0.745895 Mg\n0.739820 0.000000 0.254105 Mg\n0.739820 0.000000 0.745895 Mg\n0.250962 0.500000 0.250596 Mg\n0.250962 0.500000 0.749404 Mg\n0.749038 0.500000 0.250596 Mg\n0.749038 0.500000 0.749404 Mg\n0.000000 0.260180 0.254105 Mg\n0.000000 0.260180 0.745895 Mg\n0.500000 0.250962 0.250596 Mg\n0.500000 0.250962 0.749404 Mg\n0.000000 0.739820 0.254105 Mg\n0.000000 0.739820 0.745895 Mg\n0.500000 0.749038 0.250596 Mg\n0.500000 0.749038 0.749404 Mg\n0.253314 0.253314 0.000000 Mg\n0.247580 0.247580 0.500000 Mg\n0.746686 0.253314 0.000000 Mg\n0.752420 0.247580 0.500000 Mg\n0.253314 0.746686 0.000000 Mg\n0.247580 0.752420 0.500000 Mg\n0.746686 0.746686 0.000000 Mg\n0.752420 0.752420 0.500000 Mg\n0.000000 0.000000 0.500000 C\n0.000000 0.277553 0.000000 O\n0.000000 0.257485 0.500000 O\n0.500000 0.255529 0.000000 O\n0.500000 0.250966 0.500000 O\n0.000000 0.722447 0.000000 O\n0.000000 0.742515 0.500000 O\n0.500000 0.744471 0.000000 O\n0.500000 0.749034 0.500000 O\n0.247507 0.247507 0.249904 O\n0.247507 0.247507 0.750096 O\n0.752493 0.247507 0.249904 O\n0.752493 0.247507 0.750096 O\n0.247507 0.752493 0.249904 O\n0.247507 0.752493 0.750096 O\n0.752493 0.752493 0.249904 O\n0.752493 0.752493 0.750096 O\n0.000000 0.000000 0.309524 O\n0.000000 0.000000 0.690476 O\n0.500000 0.000000 0.255097 O\n0.500000 0.000000 0.744903 O\n0.000000 0.500000 0.255097 O\n0.000000 0.500000 0.744903 O\n0.500000 0.500000 0.251741 O\n0.500000 0.500000 0.748259 O\n0.277553 0.000000 0.000000 O\n0.257485 0.000000 0.500000 O\n0.722447 0.000000 0.000000 O\n0.742515 0.000000 0.500000 O\n0.255529 0.500000 0.000000 O\n0.250966 0.500000 0.500000 O\n0.744471 0.500000 0.000000 O\n0.749034 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
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"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-O-Rb",
"density": 3.4915754329055826,
"density_atomic": 0.10053064469643472,
"volume": 636.6218001809923,
"volume_molar": 5.990353268085202,
"formula_full": "Rb1 Mg30 C1 O32",
"formula_reduced": "RbMg30CO32",
"formula_anonymous": "ABC30D32",
"energy": -394.54326766,
"energy_per_atom": -6.1647385571875,
"energy_above_hull": null,
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"energy_uncorrected": -372.55926766,
"band_gap": 0.3978999999999999,
"is_gap_direct": false,
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"updated_at": "2021-11-28T01:35:40.305000Z",
"spacegroup": 123
},
{
"id": "mp-1234329",
"created_at": "2022-09-04T14:44:59.544859Z",
"structure_string": "Rb12 Mg1 Cl4 O4\n1.0\n8.167798 -0.147601 -0.071171\n-0.122940 7.807363 0.532012\n-0.101146 0.728165 11.384881\nRb Mg Cl O\n12 1 4 4\ndirect\n0.040218 0.530999 0.240829 Rb\n0.245457 0.315132 0.618197 Rb\n0.189584 0.200760 0.028895 Rb\n0.240366 0.728483 0.908499 Rb\n0.215823 0.811079 0.525385 Rb\n0.457076 0.859030 0.198384 Rb\n0.568361 0.011819 0.741590 Rb\n0.707074 0.246895 0.049799 Rb\n0.828675 0.231629 0.468474 Rb\n0.770108 0.752867 0.000096 Rb\n0.747207 0.729561 0.474016 Rb\n0.888220 0.488058 0.758255 Rb\n0.409300 0.222732 0.359179 Mg\n0.910676 0.953721 0.227283 Cl\n0.640961 0.496308 0.258565 Cl\n0.502081 0.593247 0.723265 Cl\n0.974794 0.983338 0.730890 Cl\n0.989763 0.487351 0.992402 O\n0.003793 0.527893 0.529787 O\n0.476194 0.974461 0.977649 O\n0.494270 0.112971 0.504037 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Mg",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-Rb",
"density": 2.8857129813590014,
"density_atomic": 0.029062146189508403,
"volume": 722.5894420550784,
"volume_molar": 20.72159681783593,
"formula_full": "Rb12 Mg1 Cl4 O4",
"formula_reduced": "Rb12Mg(ClO)4",
"formula_anonymous": "AB4C4D12",
"energy": -69.03116563,
"energy_per_atom": -3.2871983633333337,
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"energy_uncorrected": -66.28316563,
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"updated_at": "2021-11-28T01:36:49.717000Z",
"spacegroup": 1
},
{
"id": "mp-1209754",
"created_at": "2022-09-04T14:46:39.384029Z",
"structure_string": "Rb2 Mg2 Cl6 O12\n1.0\n1.000313 6.099903 0.011286\n-5.951673 -1.237587 0.021810\n0.221732 -0.026973 13.175675\nRb Mg Cl O\n2 2 6 12\ndirect\n0.436217 0.276772 0.403545 Rb\n0.457189 0.223478 0.891431 Rb\n0.065777 0.914189 0.658134 Mg\n0.100101 0.882143 0.136857 Mg\n0.109852 0.550648 0.822950 Cl\n0.089388 0.606562 0.346392 Cl\n0.597058 0.415653 0.155465 Cl\n0.776128 0.915558 0.451941 Cl\n0.608922 0.433181 0.647193 Cl\n0.864593 0.961790 0.884204 Cl\n0.244702 0.795477 0.759536 O\n0.765399 0.705423 0.172997 O\n0.830482 0.969003 0.756811 O\n0.203371 0.853882 0.281267 O\n0.143173 0.542364 0.097406 O\n0.994844 0.050784 0.517888 O\n0.006317 0.346374 0.128450 O\n0.546029 0.892110 0.502365 O\n0.979886 0.947515 0.999998 O\n0.336215 0.223597 0.672648 O\n0.406087 0.138732 0.115507 O\n0.866970 0.592465 0.596314 O\n",
"nsites": 22,
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"elements": [
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"Mg",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-Rb",
"density": 2.2434273457877927,
"density_atomic": 0.04761267579289453,
"volume": 462.0618277304038,
"volume_molar": 12.64818802916074,
"formula_full": "Rb2 Mg2 Cl6 O12",
"formula_reduced": "RbMg(ClO2)3",
"formula_anonymous": "ABC3D6",
"energy": -87.60871404,
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"updated_at": "2021-11-28T01:37:41.365000Z",
"spacegroup": 1
},
{
"id": "mp-1234577",
"created_at": "2022-09-04T14:43:00.008099Z",
"structure_string": "Rb12 Mg1 Cl4 O4\n1.0\n7.567693 0.222223 0.375173\n0.242943 8.079206 0.151936\n0.569988 0.187384 12.078437\nRb Mg Cl O\n12 1 4 4\ndirect\n0.111060 0.448039 0.280332 Rb\n0.173587 0.202919 0.567527 Rb\n0.311778 0.279042 0.955770 Rb\n0.293812 0.729522 0.987490 Rb\n0.251779 0.699163 0.530568 Rb\n0.405178 0.985420 0.288011 Rb\n0.496829 0.961256 0.728692 Rb\n0.800241 0.299226 0.084380 Rb\n0.700353 0.267179 0.473429 Rb\n0.811426 0.776795 0.088442 Rb\n0.758536 0.762788 0.452446 Rb\n0.891292 0.519481 0.732990 Rb\n0.893335 0.046913 0.861214 Mg\n0.969498 0.041245 0.278291 Cl\n0.524171 0.567977 0.268184 Cl\n0.449629 0.540027 0.743957 Cl\n0.914283 0.917785 0.664063 Cl\n0.060807 0.517356 0.061989 O\n0.977120 0.483798 0.508315 O\n0.663054 0.038539 0.938273 O\n0.458899 0.998862 0.493733 O\n",
"nsites": 21,
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"elements": [
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],
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"density_atomic": 0.028535391880007234,
"volume": 735.9282146292597,
"volume_molar": 21.104110941680446,
"formula_full": "Rb12 Mg1 Cl4 O4",
"formula_reduced": "Rb12Mg(ClO)4",
"formula_anonymous": "AB4C4D12",
"energy": -69.05772304,
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"updated_at": "2021-11-28T01:36:02.045000Z",
"spacegroup": 1
},
{
"id": "mp-1192480",
"created_at": "2022-09-04T14:43:56.354990Z",
"structure_string": "Rb2 Mg2 Cl6 O12\n1.0\n-4.485188 -4.764821 -0.566833\n-4.485188 4.764821 -0.566833\n-2.089978 0.000000 -11.646220\nRb Mg Cl O\n2 2 6 12\ndirect\n0.975228 0.024772 0.250000 Rb\n0.024772 0.975228 0.750000 Rb\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.081425 0.531432 0.202034 Cl\n0.468568 0.918575 0.297966 Cl\n0.918575 0.468568 0.797966 Cl\n0.531432 0.081425 0.702034 Cl\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.575828 0.515453 0.197537 O\n0.484547 0.424172 0.302463 O\n0.424172 0.484547 0.802463 O\n0.515453 0.575828 0.697537 O\n0.928381 0.554095 0.488167 O\n0.445905 0.071619 0.011833 O\n0.071619 0.445905 0.511833 O\n0.554095 0.928381 0.988167 O\n0.217070 0.491325 0.077341 O\n0.508675 0.782930 0.422659 O\n0.782930 0.508675 0.922659 O\n0.491325 0.217070 0.577341 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.04522133637033694,
"volume": 486.4960163899747,
"volume_molar": 13.317034044907706,
"formula_full": "Rb2 Mg2 Cl6 O12",
"formula_reduced": "RbMg(ClO2)3",
"formula_anonymous": "ABC3D6",
"energy": -88.9618942,
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"updated_at": "2021-11-28T01:36:22.214000Z",
"spacegroup": 15
},
{
"id": "mp-1233314",
"created_at": "2022-09-04T14:40:20.169716Z",
"structure_string": "Rb12 Mg1 Cl4 O4\n1.0\n7.935053 -0.077684 0.000000\n-0.079569 8.107406 0.000000\n0.000000 0.000000 11.031178\nRb Mg Cl O\n12 1 4 4\ndirect\n0.045795 0.562050 0.250000 Rb\n0.189522 0.203126 0.466482 Rb\n0.189522 0.203126 0.033518 Rb\n0.258352 0.734280 0.961020 Rb\n0.258352 0.734280 0.538980 Rb\n0.500080 0.923666 0.250000 Rb\n0.566318 0.998708 0.750000 Rb\n0.692234 0.287541 0.051350 Rb\n0.692234 0.287541 0.448650 Rb\n0.776740 0.774789 0.997285 Rb\n0.776740 0.774789 0.502715 Rb\n0.934876 0.466259 0.750000 Rb\n0.361408 0.361094 0.750000 Mg\n0.959422 0.979516 0.250000 Cl\n0.463201 0.510048 0.250000 Cl\n0.555673 0.610652 0.750000 Cl\n0.994459 0.908534 0.750000 Cl\n0.984556 0.488601 0.007213 O\n0.984556 0.488601 0.492787 O\n0.491314 0.001398 0.004977 O\n0.491314 0.001398 0.495023 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-Rb",
"density": 2.9385482666379827,
"density_atomic": 0.029594252741567163,
"volume": 709.5972377942172,
"volume_molar": 20.34902118525699,
"formula_full": "Rb12 Mg1 Cl4 O4",
"formula_reduced": "Rb12Mg(ClO)4",
"formula_anonymous": "AB4C4D12",
"energy": -67.59404878000001,
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"updated_at": "2021-11-28T01:34:47.647000Z",
"spacegroup": 6
},
{
"id": "mp-1219588",
"created_at": "2022-09-04T14:40:00.128234Z",
"structure_string": "Rb2 Mg2 Co2 F12\n1.0\n-3.641338 3.679638 5.205591\n3.641338 -3.679638 5.205591\n3.641338 3.679638 -5.205591\nRb Mg Co F\n2 2 2 12\ndirect\n0.367863 0.617863 0.750000 Rb\n0.632137 0.382137 0.250000 Rb\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.317275 0.067275 0.250000 F\n0.929622 0.679622 0.250000 F\n0.326486 0.688036 0.258741 F\n0.929294 0.067745 0.241259 F\n0.326486 0.067745 0.638450 F\n0.929294 0.688036 0.861550 F\n0.682725 0.932725 0.750000 F\n0.070378 0.320378 0.750000 F\n0.673514 0.311964 0.741259 F\n0.070706 0.932255 0.758741 F\n0.673514 0.932255 0.361550 F\n0.070706 0.311964 0.138450 F\n",
"nsites": 18,
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"elements": [
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"Mg",
"Co",
"F"
],
"chemical_system": "Co-F-Mg-Rb",
"density": 3.36514103287031,
"density_atomic": 0.06451732943763692,
"volume": 278.99480894352536,
"volume_molar": 9.334144504262314,
"formula_full": "Rb2 Mg2 Co2 F12",
"formula_reduced": "RbMgCoF6",
"formula_anonymous": "ABCD6",
"energy": -94.71244882,
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"total_magnetization": 9.1e-06,
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"updated_at": "2021-11-28T01:34:46.772000Z",
"spacegroup": 74
},
{
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