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{
"id": "mp-1113830",
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"structure_string": "Rb3 In1 F6\n1.0\n0.000000 4.760450 4.760450\n4.760450 0.000000 4.760450\n4.760450 4.760450 0.000000\nRb In F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.778778 0.221222 0.221222 F\n0.221222 0.221222 0.778778 F\n0.221222 0.778778 0.778778 F\n0.221222 0.778778 0.221222 F\n0.778778 0.221222 0.778778 F\n0.778778 0.778778 0.221222 F\n",
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{
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"structure_string": "Tb4 Si10 Ir6\n1.0\n-2.922796 4.990274 5.748320\n2.922796 -4.990274 5.748320\n2.922796 4.990274 -5.748320\nTb Si Ir\n4 10 6\ndirect\n0.401544 0.630933 0.770611 Tb\n0.598456 0.369067 0.229389 Tb\n0.139678 0.869067 0.270611 Tb\n0.860322 0.130933 0.729389 Tb\n0.738395 0.894112 0.844284 Si\n0.261605 0.105888 0.155716 Si\n0.950172 0.605888 0.344284 Si\n0.049828 0.394112 0.655716 Si\n0.225544 0.975544 0.750000 Si\n0.774456 0.524456 0.750000 Si\n0.774456 0.024456 0.250000 Si\n0.225544 0.475544 0.250000 Si\n0.500000 0.750000 0.250000 Si\n0.500000 0.250000 0.750000 Si\n0.000000 0.750000 0.750000 Ir\n0.000000 0.250000 0.250000 Ir\n0.473270 0.860152 0.613117 Ir\n0.526730 0.139848 0.386883 Ir\n0.752965 0.639848 0.113117 Ir\n0.247035 0.360152 0.886883 Ir\n",
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"formula_full": "Tb4 Si10 Ir6",
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"spacegroup": 72
},
{
"id": "mp-1068850",
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"structure_string": "Sr1 B2 N2\n1.0\n2.044205 3.461259 0.000000\n-2.044205 3.461259 0.000000\n0.000000 1.252179 6.585363\nSr B N\n1 2 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.946259 0.946259 0.618299 B\n0.053741 0.053741 0.381701 B\n0.866547 0.866547 0.806210 N\n0.133453 0.133453 0.193790 N\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.05365395555902491,
"volume": 93.18977413509582,
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"formula_full": "Sr1 B2 N2",
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"formula_anonymous": "AB2C2",
"energy": -35.69253726,
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},
{
"id": "mp-974747",
"created_at": "2022-09-04T14:44:26.839818Z",
"structure_string": "Mn2 Cu6\n1.0\n2.597975 -4.499825 0.000000\n2.597975 4.499825 0.000000\n0.000000 0.000000 4.239960\nMn Cu\n2 6\ndirect\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.834073 0.668146 0.750000 Cu\n0.834073 0.165927 0.750000 Cu\n0.165927 0.331854 0.250000 Cu\n0.668146 0.834073 0.250000 Cu\n0.165927 0.834073 0.250000 Cu\n0.331854 0.165927 0.750000 Cu\n",
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"volume": 99.13393537047165,
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"formula_full": "Mn2 Cu6",
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},
{
"id": "mp-1174575",
"created_at": "2022-09-04T14:44:26.849362Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.923406 0.000000 0.000000\n1.461703 10.432358 2.095333\n0.000000 0.090189 8.338749\nLi Mn Co O\n8 2 4 14\ndirect\n0.424842 0.150316 0.226756 Li\n0.289443 0.421112 0.630387 Li\n0.146432 0.707136 0.076759 Li\n0.997403 0.005194 0.498801 Li\n0.857143 0.285714 0.928571 Li\n0.716883 0.566235 0.358342 Li\n0.567854 0.864293 0.780384 Li\n0.857143 0.285714 0.428571 Li\n0.999221 0.001558 0.998853 Mn\n0.715065 0.569871 0.858290 Mn\n0.572068 0.855864 0.292111 Co\n0.424563 0.150874 0.688438 Co\n0.289722 0.420554 0.168706 Co\n0.142218 0.715565 0.565032 Co\n0.437940 0.124121 0.970780 O\n0.283107 0.433785 0.379392 O\n0.151265 0.697471 0.825240 O\n0.005549 0.988903 0.238581 O\n0.862607 0.274786 0.688323 O\n0.717992 0.564015 0.088694 O\n0.576076 0.847849 0.537329 O\n0.431179 0.137643 0.477750 O\n0.276346 0.447308 0.886363 O\n0.138210 0.723580 0.319814 O\n0.996293 0.007413 0.768449 O\n0.851678 0.296642 0.168820 O\n0.708737 0.582526 0.618562 O\n0.563021 0.873958 0.031903 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.090631042239162,
"density_atomic": 0.11033923417035857,
"volume": 253.76286332356923,
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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"energy": -182.71651126,
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},
{
"id": "mp-849405",
"created_at": "2022-09-04T14:44:26.492796Z",
"structure_string": "Li8 Cu4 Ni10 O24\n1.0\n2.718258 -4.515820 0.026341\n7.336337 4.416041 0.000000\n-0.643499 1.069041 9.491158\nLi Cu Ni O\n8 4 10 24\ndirect\n0.745515 0.090958 0.504287 Li\n0.246616 0.396796 0.991918 Li\n0.491609 0.424171 0.739942 Li\n0.761026 0.415683 0.509217 Li\n0.008391 0.924171 0.760058 Li\n0.754485 0.590958 0.995713 Li\n0.253384 0.896796 0.508082 Li\n0.738974 0.915683 0.990783 Li\n0.999031 0.256463 0.751165 Cu\n0.498775 0.238279 0.244872 Cu\n0.001225 0.738279 0.255128 Cu\n0.500969 0.756463 0.748835 Cu\n0.007482 0.078794 0.248470 Ni\n0.495787 0.091252 0.749895 Ni\n0.250175 0.255021 0.501642 Ni\n0.995185 0.410611 0.251560 Ni\n0.745037 0.250541 0.995012 Ni\n0.004213 0.591252 0.750105 Ni\n0.492518 0.578794 0.251530 Ni\n0.249825 0.755021 0.998358 Ni\n0.754963 0.750541 0.504988 Ni\n0.504815 0.910611 0.248440 Ni\n0.123362 0.107503 0.633105 O\n0.380379 0.083533 0.357321 O\n0.066053 0.257189 0.117871 O\n0.643663 0.080201 0.144224 O\n0.431906 0.251073 0.878259 O\n0.854902 0.106792 0.860750 O\n0.105770 0.412782 0.638081 O\n0.570571 0.247555 0.611811 O\n0.375279 0.389898 0.357582 O\n0.926711 0.250483 0.385777 O\n0.614612 0.394807 0.130547 O\n0.119621 0.583533 0.142679 O\n0.901866 0.418383 0.865424 O\n0.376638 0.607503 0.866895 O\n0.068094 0.751073 0.621741 O\n0.645098 0.606792 0.639250 O\n0.433947 0.757189 0.382129 O\n0.856337 0.580201 0.355776 O\n0.124721 0.889898 0.142418 O\n0.573289 0.750483 0.114223 O\n0.394230 0.912782 0.861919 O\n0.929429 0.747555 0.888189 O\n0.598134 0.918383 0.634576 O\n0.885388 0.894807 0.369453 O\n",
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"formula_full": "Li8 Cu4 Ni10 O24",
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{
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"structure_string": "Ho4 P8 O8\n1.0\n-4.787821 4.787821 7.529323\n4.787821 -4.787821 7.529323\n4.787821 4.787821 -7.529323\nHo P O\n4 8 8\ndirect\n0.875000 0.125000 0.750000 Ho\n0.375000 0.125000 0.250000 Ho\n0.875000 0.625000 0.750000 Ho\n0.875000 0.125000 0.250000 Ho\n0.664438 0.304843 0.359595 P\n0.945248 0.304843 0.640405 P\n0.054843 0.195248 0.140405 P\n0.804752 0.945157 0.859595 P\n0.085562 0.945157 0.140405 P\n0.054843 0.914438 0.859595 P\n0.695157 0.054752 0.359595 P\n0.695157 0.335562 0.640405 P\n0.472848 0.268192 0.204656 O\n0.063536 0.268192 0.795344 O\n0.018192 0.313536 0.295344 O\n0.686464 0.981808 0.704656 O\n0.277152 0.981808 0.295344 O\n0.018192 0.722848 0.704656 O\n0.731808 0.936464 0.204656 O\n0.731808 0.527152 0.795344 O\n",
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{
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"created_at": "2022-09-04T14:44:26.499906Z",
"structure_string": "V8 Fe12 Si12 O48\n1.0\n-5.951952 5.951952 5.951952\n5.951952 -5.951952 5.951952\n5.951952 5.951952 -5.951952\nV Fe Si O\n8 12 12 48\ndirect\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.875000 0.625000 0.250000 Fe\n0.625000 0.250000 0.875000 Fe\n0.875000 0.750000 0.625000 Fe\n0.750000 0.625000 0.875000 Fe\n0.250000 0.875000 0.625000 Fe\n0.625000 0.875000 0.750000 Fe\n0.125000 0.375000 0.750000 Fe\n0.375000 0.750000 0.125000 Fe\n0.125000 0.250000 0.375000 Fe\n0.250000 0.375000 0.125000 Fe\n0.750000 0.125000 0.375000 Fe\n0.375000 0.125000 0.250000 Fe\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.693405 0.088704 0.711077 O\n0.104700 0.982328 0.693405 O\n0.711077 0.517672 0.622372 O\n0.622372 0.711077 0.517672 O\n0.877628 0.395300 0.088704 O\n0.088704 0.877628 0.395300 O\n0.982328 0.693405 0.104700 O\n0.411296 0.104700 0.622372 O\n0.395300 0.806595 0.517672 O\n0.982328 0.788923 0.877628 O\n0.104700 0.622372 0.411296 O\n0.517672 0.395300 0.806595 O\n0.788923 0.877628 0.982328 O\n0.711077 0.693405 0.088704 O\n0.088704 0.711077 0.693405 O\n0.622372 0.411296 0.104700 O\n0.788923 0.411296 0.806595 O\n0.806595 0.517672 0.395300 O\n0.806595 0.788923 0.411296 O\n0.877628 0.982328 0.788923 O\n0.411296 0.806595 0.788923 O\n0.395300 0.088704 0.877628 O\n0.693405 0.104700 0.982328 O\n0.517672 0.622372 0.711077 O\n0.306595 0.911296 0.288923 O\n0.895300 0.017672 0.306595 O\n0.288923 0.482328 0.377628 O\n0.377628 0.288923 0.482328 O\n0.122372 0.604700 0.911296 O\n0.911296 0.122372 0.604700 O\n0.017672 0.306595 0.895300 O\n0.588704 0.895300 0.377628 O\n0.604700 0.193405 0.482328 O\n0.017672 0.211077 0.122372 O\n0.895300 0.377628 0.588704 O\n0.482328 0.604700 0.193405 O\n0.211077 0.122372 0.017672 O\n0.288923 0.306595 0.911296 O\n0.911296 0.288923 0.306595 O\n0.377628 0.588704 0.895300 O\n0.211077 0.588704 0.193405 O\n0.193405 0.482328 0.604700 O\n0.193405 0.211077 0.588704 O\n0.122372 0.017672 0.211077 O\n0.588704 0.193405 0.211077 O\n0.604700 0.911296 0.122372 O\n0.306595 0.895300 0.017672 O\n0.482328 0.377628 0.288923 O\n",
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{
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