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{
"id": "mp-9418",
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"structure_string": "Eu2 Cu4 O8\n1.0\n-2.922640 2.922640 4.839722\n2.922640 -2.922640 4.839722\n2.922640 2.922640 -4.839722\nEu Cu O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Eu\n0.375000 0.625000 0.250000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.750000 Cu\n0.875000 0.625000 0.250000 Cu\n0.728157 0.304789 0.131302 O\n0.173487 0.596855 0.868698 O\n0.021843 0.945211 0.368698 O\n0.576513 0.653145 0.631302 O\n0.054789 0.423487 0.076632 O\n0.346855 0.978157 0.923368 O\n0.403145 0.271843 0.576632 O\n0.695211 0.826513 0.423368 O\n",
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{
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{
"id": "mp-570940",
"created_at": "2022-09-04T14:40:35.855134Z",
"structure_string": "Ho7 In1 Co4 Ge12\n1.0\n10.380630 0.000000 0.000000\n0.000000 10.380630 0.000000\n0.000000 0.000000 4.176620\nHo In Co Ge\n7 1 4 12\ndirect\n0.674803 0.677651 0.500000 Ho\n0.322349 0.674803 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.325197 0.322349 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.677651 0.325197 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 In\n0.117696 0.278536 0.000000 Co\n0.721464 0.117696 0.000000 Co\n0.882304 0.721464 0.000000 Co\n0.278536 0.882304 0.000000 Co\n0.486432 0.787774 0.000000 Ge\n0.787774 0.513568 0.000000 Ge\n0.513568 0.212226 0.000000 Ge\n0.065366 0.194393 0.500000 Ge\n0.887232 0.285076 0.000000 Ge\n0.714924 0.887232 0.000000 Ge\n0.934634 0.805607 0.500000 Ge\n0.805607 0.065366 0.500000 Ge\n0.112768 0.714924 0.000000 Ge\n0.194393 0.934634 0.500000 Ge\n0.285076 0.112768 0.000000 Ge\n0.212226 0.486432 0.000000 Ge\n",
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"density": 8.76917904861849,
"density_atomic": 0.05332598113060436,
"volume": 450.0620427633565,
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"formula_full": "Ho7 In1 Co4 Ge12",
"formula_reduced": "Ho7In(CoGe3)4",
"formula_anonymous": "AB4C7D12",
"energy": -134.90548752,
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"updated_at": "2021-11-28T01:35:03.634000Z",
"spacegroup": 83
},
{
"id": "mp-5997",
"created_at": "2022-09-04T14:40:35.863894Z",
"structure_string": "K2 Mn12 P14 O48\n1.0\n27.117624 0.000000 0.000000\n0.000000 5.443731 0.000000\n0.000000 1.976764 6.361629\nK Mn P O\n2 12 14 48\ndirect\n0.750000 0.226183 0.375433 K\n0.250000 0.773817 0.624567 K\n0.044853 0.312808 0.685972 Mn\n0.544853 0.687192 0.314028 Mn\n0.955147 0.687192 0.314028 Mn\n0.455147 0.312808 0.685972 Mn\n0.097519 0.706704 0.912863 Mn\n0.597519 0.293296 0.087137 Mn\n0.902481 0.293296 0.087137 Mn\n0.402481 0.706704 0.912863 Mn\n0.182670 0.378635 0.278147 Mn\n0.682670 0.621365 0.721853 Mn\n0.817330 0.621365 0.721853 Mn\n0.317330 0.378635 0.278147 Mn\n0.167812 0.247908 0.808306 P\n0.667812 0.752092 0.191694 P\n0.832188 0.752092 0.191694 P\n0.332188 0.247908 0.808306 P\n0.750000 0.039554 0.907741 P\n0.250000 0.960446 0.092259 P\n0.024376 0.207674 0.205277 P\n0.524376 0.792326 0.794723 P\n0.975624 0.792326 0.794723 P\n0.475624 0.207674 0.205277 P\n0.109018 0.816867 0.381350 P\n0.609018 0.183133 0.618650 P\n0.890982 0.183133 0.618650 P\n0.390982 0.816867 0.381350 P\n0.119422 0.107700 0.798673 O\n0.619422 0.892300 0.201327 O\n0.880578 0.892300 0.201327 O\n0.380578 0.107700 0.798673 O\n0.165719 0.434905 0.942056 O\n0.665719 0.565095 0.057944 O\n0.834281 0.565095 0.057944 O\n0.334281 0.434905 0.942056 O\n0.193840 0.362127 0.599796 O\n0.693840 0.637873 0.400204 O\n0.806160 0.637873 0.400204 O\n0.306160 0.362127 0.599796 O\n0.203642 0.003941 0.939402 O\n0.703642 0.996059 0.060598 O\n0.796358 0.996059 0.060598 O\n0.296358 0.003941 0.939402 O\n0.750000 0.848939 0.780450 O\n0.250000 0.151061 0.219550 O\n0.047683 0.369200 0.997968 O\n0.750000 0.323572 0.786122 O\n0.974300 0.090015 0.175028 O\n0.474300 0.909985 0.824972 O\n0.025700 0.909985 0.824972 O\n0.525700 0.090015 0.175028 O\n0.022142 0.354506 0.369179 O\n0.522142 0.645494 0.630821 O\n0.977858 0.645494 0.630821 O\n0.477858 0.354506 0.369179 O\n0.352257 0.014707 0.383887 O\n0.852257 0.985293 0.616113 O\n0.647743 0.985293 0.616113 O\n0.147743 0.014707 0.383887 O\n0.377858 0.655319 0.232957 O\n0.877858 0.344681 0.767043 O\n0.622142 0.344681 0.767043 O\n0.122142 0.655319 0.232957 O\n0.404763 0.642281 0.601855 O\n0.904763 0.357719 0.398145 O\n0.595237 0.357719 0.398145 O\n0.095237 0.642281 0.601855 O\n0.442620 0.952043 0.289994 O\n0.942620 0.047957 0.710006 O\n0.557380 0.047957 0.710006 O\n0.057380 0.952043 0.289994 O\n0.452317 0.369200 0.997968 O\n0.952317 0.630800 0.002032 O\n0.547683 0.630800 0.002032 O\n0.250000 0.676428 0.213878 O\n",
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"elements": [
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],
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"volume": 939.1103553314421,
"volume_molar": 7.441387827604684,
"formula_full": "K2 Mn12 P14 O48",
"formula_reduced": "KMn6P7O24",
"formula_anonymous": "AB6C7D24",
"energy": -623.4864124799999,
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"updated_at": "2021-11-28T01:35:06.127000Z",
"spacegroup": 11
},
{
"id": "mp-19912",
"created_at": "2022-09-04T14:40:35.871046Z",
"structure_string": "U2 Mn2 Se6\n1.0\n1.953442 -5.477495 0.000000\n1.953442 5.477495 0.000000\n0.000000 0.000000 9.162616\nU Mn Se\n2 2 6\ndirect\n0.780502 0.219498 0.250000 U\n0.219498 0.780502 0.750000 U\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.922430 0.077570 0.750000 Se\n0.077570 0.922430 0.250000 Se\n0.635992 0.364008 0.962172 Se\n0.364008 0.635992 0.037828 Se\n0.364008 0.635992 0.462172 Se\n0.635992 0.364008 0.537828 Se\n",
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],
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"density_atomic": 0.050999745348685885,
"volume": 196.07941042901052,
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"formula_full": "U2 Mn2 Se6",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:04.609000Z",
"spacegroup": 63
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{
"id": "mp-23811",
"created_at": "2022-09-04T14:40:35.880464Z",
"structure_string": "Ca2 Ni2 B2 P4 H6 O20\n1.0\n4.214903 5.183852 0.000000\n-4.214903 5.183852 0.000000\n0.000000 4.005458 8.328261\nCa Ni B P H O\n2 2 2 4 6 20\ndirect\n0.125677 0.874323 0.750000 Ca\n0.874323 0.125677 0.250000 Ca\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.527604 0.472396 0.750000 B\n0.472396 0.527604 0.250000 B\n0.717447 0.847161 0.673048 P\n0.152839 0.282553 0.826952 P\n0.847161 0.717447 0.173048 P\n0.282553 0.152839 0.326952 P\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.694406 0.337412 0.914880 H\n0.662588 0.305594 0.585120 H\n0.337412 0.694406 0.414880 H\n0.305594 0.662588 0.085120 H\n0.529695 0.700314 0.743274 O\n0.560994 0.323153 0.898868 O\n0.700314 0.529695 0.243274 O\n0.470305 0.299686 0.256726 O\n0.299686 0.470305 0.756726 O\n0.676847 0.439006 0.601132 O\n0.970380 0.346433 0.970371 O\n0.653567 0.029620 0.529629 O\n0.029620 0.653567 0.029629 O\n0.346433 0.970380 0.470371 O\n0.439006 0.676847 0.101132 O\n0.731525 0.938562 0.113736 O\n0.938562 0.731525 0.613736 O\n0.268475 0.061438 0.886264 O\n0.938820 0.733764 0.298865 O\n0.266236 0.061180 0.201135 O\n0.061180 0.266236 0.701135 O\n0.733764 0.938820 0.798865 O\n0.323153 0.560994 0.398868 O\n0.061438 0.268475 0.386264 O\n",
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{
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{
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"structure_string": "Rb2 I2 O8\n1.0\n-3.026542 3.026542 6.678697\n3.026542 -3.026542 6.678697\n3.026542 3.026542 -6.678697\nRb I O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500000 I\n0.500000 0.500000 0.000000 I\n0.294578 0.460253 0.406614 O\n0.637964 0.544578 0.334325 O\n0.210253 0.303639 0.665675 O\n0.053639 0.887964 0.593386 O\n0.696361 0.362036 0.906614 O\n0.539747 0.946361 0.834325 O\n0.112036 0.705422 0.165675 O\n0.455422 0.789747 0.093386 O\n",
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{
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