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{
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{
"id": "mp-758019",
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"structure_string": "Li4 P8 W4 O28\n1.0\n8.298821 0.000000 0.000000\n0.000000 7.374563 0.000000\n0.000000 3.525058 9.230458\nLi P W O\n4 8 4 28\ndirect\n0.521840 0.701393 0.773187 Li\n0.978160 0.701393 0.273187 Li\n0.021840 0.298607 0.726813 Li\n0.478160 0.298607 0.226813 Li\n0.742823 0.917428 0.958215 P\n0.757177 0.917428 0.458215 P\n0.283653 0.666261 0.549666 P\n0.783653 0.333739 0.950334 P\n0.216347 0.666261 0.049666 P\n0.716347 0.333739 0.450334 P\n0.242823 0.082572 0.541785 P\n0.257177 0.082572 0.041785 P\n0.998759 0.744078 0.748542 W\n0.501241 0.744078 0.248542 W\n0.498759 0.255922 0.751458 W\n0.001241 0.255922 0.251458 W\n0.587362 0.955343 0.866107 O\n0.872270 0.814586 0.906338 O\n0.912638 0.955343 0.366107 O\n0.325028 0.873102 0.566282 O\n0.209129 0.683881 0.891398 O\n0.781518 0.814444 0.620911 O\n0.627730 0.814586 0.406338 O\n0.112216 0.605783 0.608618 O\n0.174972 0.873102 0.066282 O\n0.290871 0.683881 0.391398 O\n0.916669 0.451633 0.849753 O\n0.718482 0.814444 0.120911 O\n0.416669 0.548367 0.650247 O\n0.612216 0.394217 0.891382 O\n0.387784 0.605783 0.108618 O\n0.583331 0.451633 0.349753 O\n0.281518 0.185556 0.879089 O\n0.083331 0.548367 0.150247 O\n0.709129 0.316119 0.608602 O\n0.825028 0.126898 0.933718 O\n0.887784 0.394217 0.391382 O\n0.372270 0.185414 0.593662 O\n0.218482 0.185556 0.379089 O\n0.790871 0.316119 0.108602 O\n0.674972 0.126898 0.433718 O\n0.087362 0.044657 0.633893 O\n0.127730 0.185414 0.093662 O\n0.412638 0.044657 0.133893 O\n",
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"formula_full": "Li4 P8 W4 O28",
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"spacegroup": 14
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{
"id": "mp-9808",
"created_at": "2022-09-04T14:39:07.279542Z",
"structure_string": "Rb3 Nb1 O8\n1.0\n-3.603321 3.603321 4.127385\n3.603321 -3.603321 4.127385\n3.603321 3.603321 -4.127385\nRb Nb O\n3 1 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Nb\n0.317709 0.317709 0.271893 O\n0.954184 0.682291 0.000000 O\n0.682291 0.954184 0.000000 O\n0.045816 0.045816 0.728107 O\n0.815892 0.815892 0.590337 O\n0.774445 0.184108 0.000000 O\n0.184108 0.774445 0.000000 O\n0.225555 0.225555 0.409663 O\n",
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"elements": [
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"density": 3.6974659629278497,
"density_atomic": 0.055980963345713265,
"volume": 214.35858339724157,
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"formula_full": "Rb3 Nb1 O8",
"formula_reduced": "Rb3NbO8",
"formula_anonymous": "AB3C8",
"energy": -72.77827205999999,
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"updated_at": "2021-11-28T01:34:26.117000Z",
"spacegroup": 121
},
{
"id": "mp-29380",
"created_at": "2022-09-04T14:39:07.288410Z",
"structure_string": "K16 Te16 As8\n1.0\n8.367508 0.000000 0.000000\n0.000000 9.222823 0.000000\n0.000000 0.000000 20.493696\nK Te As\n16 16 8\ndirect\n0.250000 0.419596 0.543421 K\n0.750000 0.580404 0.456579 K\n0.750000 0.919596 0.956579 K\n0.250000 0.080404 0.043421 K\n0.250000 0.498462 0.188204 K\n0.750000 0.501538 0.811796 K\n0.750000 0.998462 0.311796 K\n0.250000 0.001538 0.688204 K\n0.250000 0.603759 0.716436 K\n0.750000 0.396241 0.283564 K\n0.750000 0.103759 0.783564 K\n0.250000 0.896241 0.216436 K\n0.250000 0.925247 0.442562 K\n0.750000 0.074753 0.557438 K\n0.750000 0.425247 0.057438 K\n0.250000 0.574753 0.942562 K\n0.996713 0.238959 0.417982 Te\n0.496713 0.761041 0.582018 Te\n0.003287 0.738959 0.082018 Te\n0.503287 0.261041 0.917982 Te\n0.003287 0.761041 0.582018 Te\n0.503287 0.238959 0.417982 Te\n0.996713 0.261041 0.917982 Te\n0.496713 0.738959 0.082018 Te\n0.991970 0.180869 0.179146 Te\n0.491970 0.819131 0.820854 Te\n0.008030 0.680869 0.320854 Te\n0.508030 0.319131 0.679146 Te\n0.008030 0.819131 0.820854 Te\n0.508030 0.180869 0.179146 Te\n0.991970 0.319131 0.679146 Te\n0.491970 0.680869 0.320854 Te\n0.250000 0.312523 0.348967 As\n0.750000 0.687477 0.651033 As\n0.750000 0.812523 0.151033 As\n0.250000 0.187477 0.848967 As\n0.250000 0.573028 0.386786 As\n0.750000 0.426972 0.613214 As\n0.750000 0.073028 0.113214 As\n0.250000 0.926972 0.886786 As\n",
"nsites": 40,
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"elements": [
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"chemical_system": "As-K-Te",
"density": 3.4297109719494943,
"density_atomic": 0.025291797238445306,
"volume": 1581.5404347460603,
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"formula_full": "K16 Te16 As8",
"formula_reduced": "K2Te2As",
"formula_anonymous": "AB2C2",
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"spacegroup": 62
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{
"id": "mp-1184644",
"created_at": "2022-09-04T14:39:07.295768Z",
"structure_string": "Ho2 Tl1 In1\n1.0\n0.000000 3.772012 3.772012\n3.772012 0.000000 3.772012\n3.772012 3.772012 0.000000\nHo Tl In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ho-In-Tl",
"density": 10.041209960417506,
"density_atomic": 0.03726583000891733,
"volume": 107.33693571410703,
"volume_molar": 16.159953390435593,
"formula_full": "Ho2 Tl1 In1",
"formula_reduced": "Ho2TlIn",
"formula_anonymous": "ABC2",
"energy": -15.80827252,
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"energy_uncorrected": -15.80827252,
"band_gap": 0.0,
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"total_magnetization": 4.1e-06,
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"updated_at": "2021-11-28T01:34:32.111000Z",
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{
"id": "mp-1008224",
"created_at": "2022-09-04T14:39:08.010783Z",
"structure_string": "Cr1 Co2 Si1\n1.0\n0.000000 2.817766 2.817766\n2.817766 0.000000 2.817766\n2.817766 2.817766 0.000000\nCr Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.346076125461993,
"density_atomic": 0.08939541033277607,
"volume": 44.74502645169284,
"volume_molar": 6.73652119005044,
"formula_full": "Cr1 Co2 Si1",
"formula_reduced": "CrCo2Si",
"formula_anonymous": "ABC2",
"energy": -30.52178529,
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{
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"created_at": "2022-09-04T14:39:07.160298Z",
"structure_string": "Cs4 Na2 Cr2 C12 N12\n1.0\n8.028681 0.000000 0.000000\n0.000000 7.697625 0.000000\n0.000000 7.673327 11.117054\nCs Na Cr C N\n4 2 2 12 12\ndirect\n0.555472 0.736465 0.249657 Cs\n0.055472 0.263535 0.250343 Cs\n0.444528 0.263535 0.750343 Cs\n0.944528 0.736465 0.749657 Cs\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.144073 0.240877 0.974863 C\n0.355927 0.240877 0.474863 C\n0.855927 0.759123 0.025137 C\n0.644073 0.759123 0.525137 C\n0.289875 0.826820 0.529656 C\n0.789875 0.173180 0.970344 C\n0.710125 0.173180 0.470344 C\n0.210125 0.826820 0.029656 C\n0.012588 0.125814 0.820446 C\n0.512588 0.874186 0.679554 C\n0.987412 0.874186 0.179554 C\n0.487412 0.125814 0.320446 C\n0.022043 0.199003 0.716926 N\n0.522043 0.800997 0.783074 N\n0.977957 0.800997 0.283074 N\n0.477957 0.199003 0.216926 N\n0.169363 0.725860 0.547654 N\n0.330637 0.725860 0.047654 N\n0.830637 0.274140 0.452346 N\n0.669363 0.274140 0.952346 N\n0.228515 0.378659 0.960144 N\n0.728515 0.621341 0.539856 N\n0.771485 0.621341 0.039856 N\n0.271485 0.378659 0.460144 N\n",
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"formula_full": "Cs4 Na2 Cr2 C12 N12",
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"spacegroup": 14
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{
"id": "mp-1025280",
"created_at": "2022-09-04T14:39:07.231418Z",
"structure_string": "Sr2 Cu1 O2 F2\n1.0\n-2.002986 2.002986 6.479237\n2.002986 -2.002986 6.479237\n2.002986 2.002986 -6.479237\nSr Cu O F\n2 1 2 2\ndirect\n0.365458 0.365458 0.000000 Sr\n0.634542 0.634542 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
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"formula_full": "Sr2 Cu1 O2 F2",
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{
"id": "mp-1176022",
"created_at": "2022-09-04T14:39:07.232802Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.846254 0.000000 0.000000\n-2.901600 5.159143 0.000000\n-1.534404 -1.282324 9.517892\nLi Mn Co O\n9 2 5 16\ndirect\n0.250733 0.124073 0.747616 Li\n0.007366 0.260723 0.493322 Li\n0.743690 0.367176 0.255856 Li\n0.496815 0.496590 0.004448 Li\n0.251660 0.626237 0.745847 Li\n0.008163 0.758421 0.488259 Li\n0.748618 0.874723 0.251932 Li\n0.489849 0.988302 0.012552 Li\n0.252143 0.880762 0.252556 Li\n0.996841 0.996020 0.003198 Mn\n0.747144 0.620119 0.748283 Mn\n0.506450 0.251263 0.498494 Co\n0.009403 0.506794 0.011014 Co\n0.742684 0.120350 0.746828 Co\n0.505418 0.759317 0.492532 Co\n0.249635 0.375348 0.256672 Co\n0.100259 0.809799 0.875872 O\n0.847626 0.900621 0.629744 O\n0.622863 0.078253 0.387336 O\n0.344104 0.187312 0.118968 O\n0.088125 0.275273 0.876663 O\n0.856026 0.430445 0.632672 O\n0.618501 0.580206 0.376570 O\n0.347803 0.670016 0.117302 O\n0.402551 0.433853 0.626644 O\n0.149868 0.565427 0.377106 O\n0.883174 0.712458 0.111661 O\n0.643954 0.809538 0.869978 O\n0.397148 0.924923 0.626434 O\n0.163795 0.095068 0.381986 O\n0.878273 0.180242 0.115616 O\n0.649315 0.340350 0.866038 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-561583",
"created_at": "2022-09-04T14:39:07.278158Z",
"structure_string": "Co14 As4 O24\n1.0\n5.644238 -0.002600 -1.656734\n-1.022142 7.642202 -3.487520\n0.009290 -0.007881 10.522428\nCo As O\n14 4 24\ndirect\n0.427149 0.797782 0.854758 Co\n0.156286 0.155557 0.817768 Co\n0.660880 0.155729 0.817647 Co\n0.837452 0.825862 0.675203 Co\n0.339120 0.844271 0.182353 Co\n0.162548 0.174138 0.324797 Co\n0.572851 0.202218 0.145242 Co\n0.663596 0.649399 0.328957 Co\n0.500000 0.000000 0.500000 Co\n0.843714 0.844443 0.182232 Co\n0.336404 0.350601 0.671043 Co\n0.073555 0.447531 0.147705 Co\n0.926445 0.552469 0.852295 Co\n0.000000 0.000000 0.500000 Co\n0.749687 0.373861 0.498994 As\n0.250313 0.626139 0.501006 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.702296 0.921928 0.849284 O\n0.495620 0.744032 0.502031 O\n0.005871 0.743857 0.502013 O\n0.509805 0.733162 0.019739 O\n0.645541 0.425387 0.848586 O\n0.991063 0.213407 0.982546 O\n0.504380 0.255968 0.497969 O\n0.203118 0.425017 0.848384 O\n0.147098 0.922394 0.849629 O\n0.171158 0.946222 0.342022 O\n0.671275 0.893341 0.341933 O\n0.354459 0.574613 0.151414 O\n0.297704 0.078072 0.150716 O\n0.490195 0.266838 0.980261 O\n0.829358 0.569179 0.658593 O\n0.329085 0.589353 0.658502 O\n0.994129 0.256143 0.497987 O\n0.170642 0.430821 0.341407 O\n0.670915 0.410647 0.341498 O\n0.852902 0.077606 0.150371 O\n0.828842 0.053778 0.657978 O\n0.008937 0.786593 0.017454 O\n0.796882 0.574983 0.151616 O\n0.328725 0.106659 0.658067 O\n",
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{
"id": "mp-1203849",
"created_at": "2022-09-04T14:39:07.278830Z",
"structure_string": "Ga16 Sb14 Se16 Cl58\n1.0\n11.141573 0.000000 0.000000\n5.302989 15.065196 0.000000\n2.048856 2.934804 19.218280\nGa Sb Se Cl\n16 14 16 58\ndirect\n0.791446 0.373050 0.587427 Ga\n0.208554 0.626950 0.412573 Ga\n0.960521 0.272160 0.997966 Ga\n0.039479 0.727840 0.002034 Ga\n0.636930 0.601637 0.903209 Ga\n0.363070 0.398363 0.096791 Ga\n0.568557 0.798319 0.747963 Ga\n0.431443 0.201681 0.252037 Ga\n0.416746 0.833243 0.496500 Ga\n0.583254 0.166757 0.503500 Ga\n0.775868 0.833267 0.495744 Ga\n0.224132 0.166733 0.504256 Ga\n0.683914 0.047189 0.979419 Ga\n0.316086 0.952811 0.020581 Ga\n0.873048 0.111996 0.811366 Ga\n0.126952 0.888004 0.188634 Ga\n0.220263 0.486951 0.732229 Sb\n0.779737 0.513049 0.267771 Sb\n0.269040 0.706726 0.788632 Sb\n0.730960 0.293274 0.211368 Sb\n0.127097 0.722507 0.611651 Sb\n0.872903 0.277493 0.388349 Sb\n0.939718 0.702668 0.790113 Sb\n0.060282 0.297332 0.209887 Sb\n0.150563 0.258389 0.711621 Sb\n0.849437 0.741611 0.288379 Sb\n0.285794 0.274077 0.882016 Sb\n0.714206 0.725923 0.117984 Sb\n0.499013 0.256569 0.710763 Sb\n0.500987 0.743431 0.289237 Sb\n0.155976 0.580506 0.845155 Se\n0.844024 0.419494 0.154845 Se\n0.060225 0.818419 0.721245 Se\n0.939775 0.181581 0.278755 Se\n0.345483 0.631623 0.675290 Se\n0.654517 0.368377 0.324710 Se\n0.978581 0.625963 0.676903 Se\n0.021419 0.374037 0.323097 Se\n0.085014 0.377296 0.805423 Se\n0.914986 0.622704 0.194577 Se\n0.357972 0.156629 0.788147 Se\n0.642028 0.843371 0.211853 Se\n0.299876 0.338159 0.632867 Se\n0.700124 0.661841 0.367133 Se\n0.430271 0.371192 0.806700 Se\n0.569729 0.628808 0.193300 Se\n0.597877 0.419900 0.638892 Cl\n0.402123 0.580100 0.361108 Cl\n0.858958 0.228261 0.592970 Cl\n0.141042 0.771739 0.407030 Cl\n0.779289 0.438090 0.475984 Cl\n0.220711 0.561910 0.524016 Cl\n0.920814 0.420625 0.638537 Cl\n0.079186 0.579375 0.361463 Cl\n0.972184 0.188305 0.103271 Cl\n0.027816 0.811695 0.896729 Cl\n0.079423 0.184100 0.922624 Cl\n0.920577 0.815900 0.077376 Cl\n0.762049 0.334065 0.976625 Cl\n0.237951 0.665935 0.023375 Cl\n0.062252 0.368713 0.000099 Cl\n0.937748 0.631287 0.999901 Cl\n0.626564 0.588698 0.015213 Cl\n0.373436 0.411302 0.984787 Cl\n0.829315 0.547502 0.856942 Cl\n0.170685 0.452498 0.143058 Cl\n0.504654 0.552981 0.858946 Cl\n0.495346 0.447019 0.141054 Cl\n0.572718 0.756584 0.869899 Cl\n0.427282 0.243416 0.130101 Cl\n0.704060 0.872131 0.726126 Cl\n0.295940 0.127869 0.273874 Cl\n0.631252 0.674144 0.705679 Cl\n0.368748 0.325856 0.294321 Cl\n0.371043 0.878391 0.730717 Cl\n0.628957 0.121609 0.269283 Cl\n0.242996 0.887688 0.559456 Cl\n0.757004 0.112312 0.440544 Cl\n0.470737 0.689103 0.504571 Cl\n0.529263 0.310897 0.495429 Cl\n0.414303 0.902135 0.389871 Cl\n0.585697 0.097865 0.610129 Cl\n0.569736 0.869704 0.549539 Cl\n0.430264 0.130296 0.450461 Cl\n0.875666 0.891649 0.554583 Cl\n0.124334 0.108351 0.445417 Cl\n0.856538 0.688971 0.506286 Cl\n0.143462 0.311029 0.493714 Cl\n0.747723 0.897389 0.387786 Cl\n0.252277 0.102611 0.612214 Cl\n0.700054 0.047263 0.088314 Cl\n0.299946 0.952737 0.911686 Cl\n0.651037 0.931505 0.952264 Cl\n0.348963 0.068495 0.047736 Cl\n0.565073 0.179277 0.926412 Cl\n0.434927 0.820723 0.073588 Cl\n0.883936 0.050832 0.929353 Cl\n0.116064 0.949168 0.070647 Cl\n0.067701 0.055906 0.770622 Cl\n0.932299 0.944094 0.229378 Cl\n0.736582 0.061965 0.773601 Cl\n0.263418 0.938035 0.226399 Cl\n0.811873 0.257747 0.795725 Cl\n0.188127 0.742253 0.204275 Cl\n",
"nsites": 104,
"nelements": 4,
"elements": [
"Ga",
"Sb",
"Se",
"Cl"
],
"chemical_system": "Cl-Ga-Sb-Se",
"density": 3.1606068707504154,
"density_atomic": 0.0322401850862451,
"volume": 3225.7879327240707,
"volume_molar": 18.678989416128623,
"formula_full": "Ga16 Sb14 Se16 Cl58",
"formula_reduced": "Ga8Sb7Se8Cl29",
"formula_anonymous": "A7B8C8D29",
"energy": -403.63801228,
"energy_per_atom": -3.8811347334615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.47401228,
"band_gap": 1.6847,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4005745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.206000Z",
"spacegroup": 2
},
{
"id": "mp-1218968",
"created_at": "2022-09-04T14:39:07.296211Z",
"structure_string": "Sm1 Sb1 Pt1\n1.0\n0.000000 3.476643 3.476643\n3.476643 0.000000 3.476643\n3.476643 3.476643 0.000000\nSm Sb Pt\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sm",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Sm",
"density": 9.23092797094404,
"density_atomic": 0.035695294307619516,
"volume": 84.04469155363205,
"volume_molar": 16.870965422225176,
"formula_full": "Sm1 Sb1 Pt1",
"formula_reduced": "SmSbPt",
"formula_anonymous": "ABC",
"energy": -16.276160700000002,
"energy_per_atom": -5.4253869,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0841607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.949000Z",
"spacegroup": 216
},
{
"id": "mp-1246531",
"created_at": "2022-09-04T14:39:05.467382Z",
"structure_string": "Sr12 Y8 N16\n1.0\n6.358043 0.000000 0.000000\n0.000000 12.494639 0.000000\n0.000000 0.000000 10.233117\nSr Y N\n12 8 16\ndirect\n0.682605 0.172661 0.396168 Sr\n0.817395 0.827339 0.396168 Sr\n0.682605 0.327339 0.103832 Sr\n0.817395 0.672661 0.103832 Sr\n0.317395 0.827339 0.603832 Sr\n0.182605 0.172661 0.603832 Sr\n0.317395 0.672661 0.896168 Sr\n0.182605 0.327339 0.896168 Sr\n0.750000 0.500000 0.437741 Sr\n0.750000 -0.000000 0.062259 Sr\n0.250000 0.500000 0.562259 Sr\n0.250000 -0.000000 0.937741 Sr\n0.750000 0.500000 0.790358 Y\n0.750000 -0.000000 0.709642 Y\n0.250000 0.500000 0.209642 Y\n0.250000 -0.000000 0.290358 Y\n0.731525 0.250000 0.750000 Y\n0.768475 0.750000 0.750000 Y\n0.268475 0.750000 0.250000 Y\n0.231525 0.250000 0.250000 Y\n0.955795 0.384562 0.666598 N\n0.544205 0.615438 0.666598 N\n0.955795 0.115438 0.833402 N\n0.544205 0.884562 0.833402 N\n0.044205 0.615438 0.333402 N\n0.455795 0.384562 0.333402 N\n0.044205 0.884562 0.166598 N\n0.455795 0.115438 0.166598 N\n0.561347 0.363783 0.880682 N\n0.938653 0.636217 0.880682 N\n0.561347 0.136217 0.619318 N\n0.938653 0.863783 0.619318 N\n0.438653 0.636217 0.119318 N\n0.061347 0.363783 0.119318 N\n0.438653 0.863783 0.380682 N\n0.061347 0.136217 0.380682 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Y",
"N"
],
"chemical_system": "N-Sr-Y",
"density": 4.058325005707711,
"density_atomic": 0.044284055615994335,
"volume": 812.9336732879918,
"volume_molar": 13.598891691900386,
"formula_full": "Sr12 Y8 N16",
"formula_reduced": "Sr3Y2N4",
"formula_anonymous": "A2B3C4",
"energy": -240.88505087,
"energy_per_atom": -6.691251413055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.10905087,
"band_gap": 0.7248999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.003935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.434000Z",
"spacegroup": 52
}
]
}