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{
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"results": [
{
"id": "mp-754364",
"created_at": "2022-09-04T14:41:53.543357Z",
"structure_string": "Y2 Cu1 O4\n1.0\n-1.942158 1.942158 5.884806\n1.942158 -1.942158 5.884806\n1.942158 1.942158 -5.884806\nY Cu O\n2 1 4\ndirect\n0.348108 0.348108 0.000000 Y\n0.651892 0.651892 0.000000 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"formula_full": "Y2 Cu1 O4",
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{
"id": "mp-16870",
"created_at": "2022-09-04T14:41:53.548472Z",
"structure_string": "Ba8 Cd4 Se12\n1.0\n4.559063 0.000000 0.000000\n0.000000 9.415434 0.000000\n0.000000 0.000000 18.189186\nBa Cd Se\n8 4 12\ndirect\n0.250000 0.760222 0.960438 Ba\n0.750000 0.739778 0.460438 Ba\n0.250000 0.260222 0.539562 Ba\n0.750000 0.239778 0.039562 Ba\n0.250000 0.422155 0.284407 Ba\n0.750000 0.577845 0.715593 Ba\n0.250000 0.922155 0.215593 Ba\n0.750000 0.077845 0.784407 Ba\n0.750000 0.124479 0.366791 Cd\n0.750000 0.624479 0.133209 Cd\n0.250000 0.875521 0.633209 Cd\n0.250000 0.375521 0.866791 Cd\n0.250000 0.984986 0.404126 Se\n0.750000 0.015014 0.595874 Se\n0.250000 0.484986 0.095874 Se\n0.750000 0.515014 0.904126 Se\n0.250000 0.118135 0.927924 Se\n0.750000 0.881865 0.072076 Se\n0.250000 0.618135 0.572076 Se\n0.750000 0.185627 0.222828 Se\n0.250000 0.314373 0.722828 Se\n0.750000 0.685627 0.277172 Se\n0.250000 0.814373 0.777172 Se\n0.750000 0.381865 0.427924 Se\n",
"nsites": 24,
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"elements": [
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"volume": 780.7809363948234,
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"formula_full": "Ba8 Cd4 Se12",
"formula_reduced": "Ba2CdSe3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:36.114000Z",
"spacegroup": 62
},
{
"id": "mp-1100641",
"created_at": "2022-09-04T14:41:53.550126Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.434414 2.561179 0.000000\n-1.434414 2.561179 0.000000\n0.000000 0.790047 39.135516\nLi Mn Co O\n9 2 5 16\ndirect\n0.691906 0.691906 0.935603 Li\n0.073091 0.073091 0.811433 Li\n0.423823 0.423823 0.687186 Li\n0.812993 0.812993 0.563617 Li\n0.181808 0.181808 0.439103 Li\n0.569293 0.569293 0.309499 Li\n0.939082 0.939082 0.188914 Li\n0.306310 0.306310 0.064811 Li\n0.748900 0.748900 0.749257 Li\n0.000093 0.000093 0.000190 Mn\n0.875982 0.875982 0.374168 Mn\n0.376069 0.376069 0.875318 Co\n0.127073 0.127073 0.623808 Co\n0.497759 0.497759 0.501065 Co\n0.250632 0.250632 0.249879 Co\n0.622945 0.622945 0.126412 Co\n0.368807 0.368807 0.971472 O\n0.722299 0.722299 0.847920 O\n0.090482 0.090482 0.716040 O\n0.463319 0.463319 0.598155 O\n0.839518 0.839518 0.471712 O\n0.248632 0.248632 0.344558 O\n0.586200 0.586200 0.224205 O\n0.964679 0.964679 0.097003 O\n0.029964 0.029964 0.904586 O\n0.409221 0.409221 0.781611 O\n0.791700 0.791700 0.648399 O\n0.156271 0.156271 0.530093 O\n0.503797 0.503797 0.403407 O\n0.914763 0.914763 0.275617 O\n0.281491 0.281491 0.155621 O\n0.631100 0.631100 0.029337 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.175156578194725,
"density_atomic": 0.11128444667311471,
"volume": 287.5514140264032,
"volume_molar": 5.411484659387621,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -204.53041909,
"energy_per_atom": -6.3915755965625,
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"updated_at": "2021-11-28T01:35:32.122000Z",
"spacegroup": 8
},
{
"id": "mp-1262735",
"created_at": "2022-09-04T14:41:53.569506Z",
"structure_string": "Li8 Co4 Si12 O32\n1.0\n6.685320 -0.161829 -0.000201\n-3.358800 12.660618 0.000126\n-0.000269 0.000009 8.647148\nLi Co Si O\n8 4 12 32\ndirect\n0.258670 0.440093 0.302649 Li\n0.258442 0.940017 0.302724 Li\n0.741538 0.059961 0.802720 Li\n0.741344 0.559918 0.802672 Li\n0.503514 0.258135 0.765903 Li\n0.503380 0.758157 0.765920 Li\n0.496638 0.241844 0.265916 Li\n0.496460 0.741845 0.265895 Li\n0.386381 0.520584 0.999071 Co\n0.613913 0.479424 0.499225 Co\n0.386274 0.020688 0.999210 Co\n0.613498 0.979312 0.499109 Co\n0.034506 0.199047 0.528149 Si\n0.034580 0.699146 0.528194 Si\n0.965385 0.300849 0.028211 Si\n0.965594 0.800968 0.028131 Si\n0.090467 0.126846 0.195437 Si\n0.090602 0.626842 0.195529 Si\n0.909503 0.373147 0.695538 Si\n0.909534 0.873158 0.695480 Si\n0.286176 0.068069 0.661919 Si\n0.286223 0.568109 0.661897 Si\n0.713772 0.431887 0.161890 Si\n0.713815 0.931924 0.161871 Si\n0.071391 0.488519 0.738958 O\n0.071332 0.988528 0.739008 O\n0.928723 0.011449 0.238886 O\n0.928631 0.511479 0.238844 O\n0.986844 0.180430 0.056578 O\n0.987103 0.680549 0.056688 O\n0.012917 0.319450 0.556660 O\n0.013214 0.819590 0.556595 O\n0.115310 0.205323 0.347213 O\n0.115542 0.705359 0.347284 O\n0.884418 0.294652 0.847279 O\n0.884781 0.794678 0.847212 O\n0.173714 0.392001 0.068293 O\n0.173857 0.892180 0.068292 O\n0.826296 0.107827 0.568342 O\n0.826146 0.608043 0.568386 O\n0.234417 0.185400 0.634132 O\n0.234314 0.685399 0.634244 O\n0.765608 0.314587 0.134194 O\n0.765693 0.814641 0.134101 O\n0.321781 0.118339 0.156536 O\n0.321864 0.618243 0.156707 O\n0.678219 0.381770 0.656604 O\n0.678128 0.881610 0.656822 O\n0.351078 0.021331 0.503036 O\n0.350994 0.521307 0.503064 O\n0.648824 0.478614 0.003042 O\n0.648846 0.978759 0.003130 O\n0.463884 0.097650 0.796827 O\n0.463862 0.597707 0.796895 O\n0.536007 0.402371 0.296723 O\n0.536049 0.902243 0.296763 O\n",
"nsites": 56,
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"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.603777474632433,
"density_atomic": 0.07700803087472388,
"volume": 727.1968827653885,
"volume_molar": 7.820146407582835,
"formula_full": "Li8 Co4 Si12 O32",
"formula_reduced": "Li2CoSi3O8",
"formula_anonymous": "AB2C3D8",
"energy": -422.1411733,
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"updated_at": "2021-11-28T01:35:30.718000Z",
"spacegroup": 4
},
{
"id": "mp-991343",
"created_at": "2022-09-04T14:41:53.603817Z",
"structure_string": "Sr6 Rh5 O15\n1.0\n6.927340 3.999502 0.000000\n-6.927340 3.999502 0.000000\n0.000000 0.000000 5.656149\nSr Rh O\n6 5 15\ndirect\n0.682746 0.317254 0.000000 Sr\n0.000000 0.682746 0.682746 Sr\n0.317254 0.000000 0.317254 Sr\n0.852799 0.147201 0.500000 Sr\n0.500000 0.852799 0.852799 Sr\n0.147201 0.500000 0.147201 Sr\n0.903250 0.903250 0.096750 Rh\n0.096750 0.096750 0.903250 Rh\n0.707455 0.707455 0.292545 Rh\n0.292545 0.292545 0.707455 Rh\n0.500000 0.500000 0.500000 Rh\n0.567041 0.269456 0.656167 O\n0.269456 0.343833 0.432959 O\n0.343833 0.567041 0.730544 O\n0.656167 0.730544 0.567041 O\n0.730544 0.432959 0.343833 O\n0.432959 0.656167 0.269456 O\n0.835142 0.000000 0.835142 O\n0.000000 0.164858 0.164858 O\n0.164858 0.835142 0.000000 O\n0.017385 0.347835 0.788563 O\n0.347835 0.211437 0.982615 O\n0.982615 0.788563 0.347835 O\n0.652165 0.982615 0.211437 O\n0.788563 0.652165 0.017385 O\n0.211437 0.017385 0.652165 O\n",
"nsites": 26,
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"elements": [
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"Rh",
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],
"chemical_system": "O-Rh-Sr",
"density": 6.782920417361456,
"density_atomic": 0.08295643661825224,
"volume": 313.4175123703352,
"volume_molar": 7.259401446704615,
"formula_full": "Sr6 Rh5 O15",
"formula_reduced": "Sr6(RhO3)5",
"formula_anonymous": "A5B6C15",
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"spacegroup": 5
},
{
"id": "mp-1033520",
"created_at": "2022-09-04T14:41:53.650755Z",
"structure_string": "Sr1 Mg6 Nb1 O8\n1.0\n9.015704 0.000000 0.000000\n0.000000 4.531158 0.000000\n0.000000 0.000000 4.531158\nSr Mg Nb O\n1 6 1 8\ndirect\n-0.000000 0.000000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253922 0.000000 0.500000 Mg\n0.746078 -0.000000 0.500000 Mg\n0.253922 0.500000 -0.000000 Mg\n0.746078 0.500000 0.000000 Mg\n0.500000 0.000000 -0.000000 Nb\n0.261486 -0.000000 0.000000 O\n0.738514 0.000000 -0.000000 O\n0.251349 0.500000 0.500000 O\n0.748651 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"formula_full": "Sr1 Mg6 Nb1 O8",
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{
"id": "mp-559786",
"created_at": "2022-09-04T14:41:53.546494Z",
"structure_string": "Na4 As16 Br4 O24\n1.0\n5.326986 0.000000 0.000000\n0.000000 8.213569 0.000000\n0.000000 0.000000 19.585518\nNa As Br O\n4 16 4 24\ndirect\n0.750000 0.398885 0.556595 Na\n0.250000 0.898885 0.943405 Na\n0.750000 0.101115 0.056595 Na\n0.250000 0.601115 0.443405 Na\n0.750000 0.408076 0.177770 As\n0.250000 0.663094 0.614555 As\n0.750000 0.091924 0.677770 As\n0.250000 0.836906 0.114555 As\n0.250000 0.908076 0.322230 As\n0.750000 0.709849 0.334013 As\n0.250000 0.154389 0.451571 As\n0.750000 0.790151 0.834013 As\n0.750000 0.163094 0.885445 As\n0.250000 0.591924 0.822230 As\n0.750000 0.336906 0.385445 As\n0.250000 0.290151 0.665987 As\n0.250000 0.345611 0.951571 As\n0.750000 0.654389 0.048429 As\n0.250000 0.209849 0.165987 As\n0.750000 0.845611 0.548429 As\n0.750000 0.004078 0.217664 Br\n0.250000 0.995922 0.782336 Br\n0.250000 0.504078 0.282336 Br\n0.750000 0.495922 0.717664 Br\n0.998183 0.306914 0.450977 O\n0.502076 0.176717 0.621915 O\n0.498183 0.693086 0.549023 O\n0.997924 0.176717 0.621915 O\n0.750000 0.610687 0.139104 O\n0.502076 0.323283 0.121915 O\n0.250000 0.389313 0.860896 O\n0.501817 0.306914 0.450977 O\n0.750000 0.554246 0.403658 O\n0.497924 0.823283 0.378085 O\n0.002076 0.823283 0.378085 O\n0.497924 0.676717 0.878085 O\n0.750000 0.945754 0.903658 O\n0.250000 0.110687 0.360896 O\n0.250000 0.445754 0.596342 O\n0.250000 0.054246 0.096342 O\n0.001817 0.806914 0.049023 O\n0.002076 0.676717 0.878085 O\n0.001817 0.693086 0.549023 O\n0.498183 0.806914 0.049023 O\n0.501817 0.193086 0.950977 O\n0.750000 0.889313 0.639104 O\n0.998183 0.193086 0.950977 O\n0.997924 0.323283 0.121915 O\n",
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"volume": 856.9362754731147,
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"formula_full": "Na4 As16 Br4 O24",
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"energy": -285.39384028,
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"spacegroup": 62
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{
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