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{
"id": "mp-2068",
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{
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"formula_full": "Li6 Mn2 Co6 O16",
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"spacegroup": 12
},
{
"id": "mp-861597",
"created_at": "2022-09-04T14:40:57.441637Z",
"structure_string": "Pr2 Ni12 As7\n1.0\n4.700966 -8.142313 0.000000\n4.700966 8.142313 0.000000\n0.000000 0.000000 3.895743\nPr Ni As\n2 12 7\ndirect\n0.666667 0.333333 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.707197 0.088346 0.500000 Ni\n0.911654 0.618851 0.500000 Ni\n0.381149 0.292803 0.500000 Ni\n0.773938 0.721621 0.000000 Ni\n0.278379 0.052317 0.000000 Ni\n0.947683 0.226062 0.000000 Ni\n0.539974 0.763339 0.500000 Ni\n0.236661 0.776635 0.500000 Ni\n0.223365 0.460026 0.500000 Ni\n0.479176 0.944755 0.000000 Ni\n0.055245 0.534421 0.000000 Ni\n0.465579 0.520824 0.000000 Ni\n0.333333 0.666667 0.000000 As\n0.434734 0.068431 0.500000 As\n0.931569 0.366304 0.500000 As\n0.633696 0.565266 0.500000 As\n0.729565 0.949975 0.000000 As\n0.050025 0.779591 0.000000 As\n0.220409 0.270435 0.000000 As\n",
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"density": 8.410846917887794,
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"formula_full": "Pr2 Ni12 As7",
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},
{
"id": "mp-1179266",
"created_at": "2022-09-04T14:40:57.447864Z",
"structure_string": "Y8 Si4 O20\n1.0\n6.306635 0.000000 -2.478533\n0.000000 6.886690 0.000000\n-1.418344 0.000000 10.261148\nY Si O\n8 4 20\ndirect\n0.355559 0.222044 0.510312 Y\n0.144441 0.722044 0.489688 Y\n0.644441 0.777956 0.489688 Y\n0.855559 0.277956 0.510312 Y\n0.241037 0.546253 0.833105 Y\n0.258963 0.046253 0.166895 Y\n0.758963 0.453747 0.166895 Y\n0.741037 0.953747 0.833105 Y\n0.682706 0.478779 0.784035 Si\n0.817294 0.978779 0.215965 Si\n0.317294 0.521221 0.215965 Si\n0.182706 0.021221 0.784035 Si\n0.469270 0.914863 0.602140 O\n0.030730 0.414863 0.397860 O\n0.530730 0.085137 0.397860 O\n0.969270 0.585137 0.602140 O\n0.126357 0.030177 0.921422 O\n0.373642 0.530177 0.078578 O\n0.873643 0.969823 0.078578 O\n0.626357 0.469823 0.921422 O\n0.240115 0.233100 0.733258 O\n0.259885 0.733100 0.266742 O\n0.759885 0.766900 0.266742 O\n0.740115 0.266900 0.733258 O\n0.445405 0.529710 0.628772 O\n0.054595 0.029710 0.371228 O\n0.554595 0.470290 0.371228 O\n0.945405 0.970290 0.628772 O\n0.627748 0.150115 0.177073 O\n0.872252 0.650115 0.822927 O\n0.372252 0.849885 0.822927 O\n0.127748 0.349885 0.177073 O\n",
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"density": 4.505752795596275,
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"volume": 421.45098459759464,
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"formula_full": "Y8 Si4 O20",
"formula_reduced": "Y2SiO5",
"formula_anonymous": "AB2C5",
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"spacegroup": 14
},
{
"id": "mp-1189452",
"created_at": "2022-09-04T14:40:57.452862Z",
"structure_string": "Cr2 Cl6 O12\n1.0\n3.888256 5.990413 0.000000\n-3.888256 5.990413 0.000000\n0.000000 4.719200 8.547852\nCr Cl O\n2 6 12\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.987533 0.012467 0.750000 Cl\n0.012467 0.987533 0.250000 Cl\n0.720899 0.589331 0.737345 Cl\n0.410669 0.279101 0.762655 Cl\n0.279101 0.410669 0.262655 Cl\n0.589331 0.720899 0.237345 Cl\n0.827753 0.431927 0.460372 O\n0.568073 0.172247 0.039628 O\n0.172247 0.568073 0.539628 O\n0.431927 0.827753 0.960372 O\n0.111363 0.203728 0.616236 O\n0.796272 0.888637 0.883764 O\n0.888637 0.796272 0.383764 O\n0.203728 0.111363 0.116236 O\n0.573781 0.206570 0.616778 O\n0.793430 0.426219 0.883222 O\n0.426219 0.793430 0.383222 O\n0.206570 0.573781 0.116778 O\n",
"nsites": 20,
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"density": 2.1213620267504556,
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"volume": 398.19757030844016,
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"formula_full": "Cr2 Cl6 O12",
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{
"id": "mp-1187845",
"created_at": "2022-09-04T14:40:57.453519Z",
"structure_string": "Y1 Ho1 Hg2\n1.0\n0.000000 3.723203 3.723203\n3.723203 0.000000 3.723203\n3.723203 3.723203 0.000000\nY Ho Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "mp-1226737",
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"structure_string": "Ce2 Se1 S1\n1.0\n4.119664 0.000000 0.000000\n0.000000 4.119664 0.000000\n0.000000 0.000000 5.827386\nCe Se S\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 S\n",
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"formula_full": "Ce2 Se1 S1",
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{
"id": "mp-860959",
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"structure_string": "Li5 Fe5 Si7 O24\n1.0\n7.848702 0.000000 0.000000\n0.047698 7.976885 0.000000\n0.006723 0.053330 9.318297\nLi Fe Si O\n5 5 7 24\ndirect\n0.301154 0.577259 0.745870 Li\n0.756017 0.500261 0.248840 Li\n0.537702 0.254549 0.280065 Li\n0.027318 0.238858 0.966044 Li\n0.243437 0.998600 0.004609 Li\n0.170926 0.615221 0.002678 Fe\n0.417974 0.433265 0.506246 Fe\n0.115550 0.322104 0.258895 Fe\n0.624667 0.177487 0.997251 Fe\n0.914095 0.064783 0.730330 Fe\n0.070447 0.911255 0.253661 Si\n0.666863 0.878502 0.250712 Si\n0.368120 0.846100 0.488667 Si\n0.878076 0.656989 0.757085 Si\n0.595274 0.588385 0.007747 Si\n0.831568 0.381777 0.507796 Si\n0.333073 0.128213 0.740173 Si\n0.375043 0.991173 0.612635 O\n0.870087 0.872851 0.296024 O\n0.541976 0.855595 0.389821 O\n0.855453 0.845453 0.698821 O\n0.194115 0.877649 0.392795 O\n0.139178 0.802654 0.116498 O\n0.641845 0.711200 0.147262 O\n0.740252 0.616080 0.886380 O\n0.364238 0.658433 0.560402 O\n0.072957 0.623609 0.816738 O\n0.405854 0.621226 0.941257 O\n0.838582 0.527162 0.628093 O\n0.086905 0.420274 0.077130 O\n0.640953 0.390838 0.431505 O\n0.948571 0.431423 0.367843 O\n0.615551 0.400827 0.083313 O\n0.327306 0.342823 0.341257 O\n0.360549 0.320448 0.679971 O\n0.876520 0.199076 0.569895 O\n0.823610 0.153569 0.901941 O\n0.094394 0.100162 0.186741 O\n0.444533 0.092531 0.887207 O\n0.141823 0.099044 0.808843 O\n0.610918 0.054917 0.175375 O\n",
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"formula_full": "Li5 Fe5 Si7 O24",
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{
"id": "mp-1200563",
"created_at": "2022-09-04T14:40:57.466628Z",
"structure_string": "Ag28 As4 Se24\n1.0\n11.051446 0.000000 0.000000\n0.000000 11.051446 0.000000\n0.000000 0.000000 11.051446\nAg As Se\n28 4 24\ndirect\n0.227034 0.927366 0.896453 Ag\n0.103547 0.727034 0.572634 Ag\n0.427366 0.603547 0.772966 Ag\n0.727034 0.572634 0.103547 Ag\n0.603547 0.772966 0.427366 Ag\n0.927366 0.896453 0.227034 Ag\n0.772966 0.427366 0.603547 Ag\n0.896453 0.227034 0.927366 Ag\n0.572634 0.103547 0.727034 Ag\n0.272966 0.072634 0.396453 Ag\n0.396453 0.272966 0.072634 Ag\n0.072634 0.396453 0.272966 Ag\n0.010418 0.775869 0.982158 Ag\n0.017842 0.510418 0.724131 Ag\n0.275869 0.517842 0.989582 Ag\n0.510418 0.724131 0.017842 Ag\n0.517842 0.989582 0.275869 Ag\n0.775869 0.982158 0.010418 Ag\n0.989582 0.275869 0.517842 Ag\n0.982158 0.010418 0.775869 Ag\n0.724131 0.017842 0.510418 Ag\n0.489582 0.224131 0.482158 Ag\n0.482158 0.489582 0.224131 Ag\n0.224131 0.482158 0.489582 Ag\n0.348657 0.848657 0.651343 Ag\n0.848657 0.651343 0.348657 Ag\n0.651343 0.348657 0.848657 Ag\n0.151343 0.151343 0.151343 Ag\n0.751296 0.251296 0.248704 As\n0.251296 0.248704 0.751296 As\n0.248704 0.751296 0.251296 As\n0.748704 0.748704 0.748704 As\n0.876224 0.376224 0.123776 Se\n0.376224 0.123776 0.876224 Se\n0.123776 0.876224 0.376224 Se\n0.623776 0.623776 0.623776 Se\n0.362270 0.879265 0.121219 Se\n0.878781 0.862270 0.620735 Se\n0.379265 0.378781 0.637730 Se\n0.862270 0.620735 0.878781 Se\n0.378781 0.637730 0.379265 Se\n0.879265 0.121219 0.362270 Se\n0.637730 0.379265 0.378781 Se\n0.121219 0.362270 0.879265 Se\n0.620735 0.878781 0.862270 Se\n0.137730 0.120735 0.621219 Se\n0.621219 0.137730 0.120735 Se\n0.120735 0.621219 0.137730 Se\n0.216138 0.716138 0.783862 Se\n0.716138 0.783862 0.216138 Se\n0.783862 0.216138 0.716138 Se\n0.283862 0.283862 0.283862 Se\n0.483661 0.983661 0.516339 Se\n0.983661 0.516339 0.483661 Se\n0.516339 0.483661 0.983661 Se\n0.016339 0.016339 0.016339 Se\n",
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{
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{
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}