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{
"id": "mp-695434",
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"structure_string": "Li14 Zr6 Nb2 Te8 O48\n1.0\n5.266101 0.000000 0.000000\n-2.629943 4.871111 0.000000\n-0.001805 -1.676217 34.670097\nLi Zr Nb Te O\n14 6 2 8 48\ndirect\n0.389564 0.780816 0.034297 Li\n0.764159 0.528068 0.159982 Li\n0.061541 0.123018 0.094194 Li\n0.139444 0.279371 0.285654 Li\n0.437856 0.876140 0.221542 Li\n0.514507 0.029510 0.410750 Li\n0.813608 0.626642 0.346826 Li\n0.889500 0.779508 0.535808 Li\n0.188582 0.376574 0.471876 Li\n0.264497 0.528952 0.661521 Li\n0.562980 0.126174 0.596982 Li\n0.644463 0.281399 0.785912 Li\n0.935103 0.874634 0.722868 Li\n0.015461 0.035900 0.909412 Li\n0.378707 0.755250 0.124915 Zr\n0.752954 0.505273 0.250292 Zr\n0.128285 0.255549 0.375516 Zr\n0.503341 0.005645 0.500564 Zr\n0.878016 0.755930 0.625744 Zr\n0.252302 0.509150 0.751894 Zr\n0.627264 0.259032 0.874806 Nb\n0.005018 0.004055 0.997636 Nb\n0.685711 0.377256 0.060886 Te\n0.062251 0.125151 0.187079 Te\n0.437383 0.875646 0.312552 Te\n0.812415 0.625791 0.437682 Te\n0.187378 0.375910 0.562727 Te\n0.562158 0.126526 0.688032 Te\n0.948037 0.881022 0.813869 Te\n0.320025 0.631839 0.937017 Te\n0.412414 0.064232 0.089371 O\n0.400931 0.189503 0.018182 O\n0.860205 0.143082 0.044340 O\n0.478731 0.573556 0.075275 O\n0.938165 0.508002 0.105876 O\n0.776942 0.810590 0.214294 O\n0.955210 0.676176 0.030921 O\n0.816385 0.956271 0.140662 O\n0.239194 0.892038 0.173100 O\n0.854777 0.323630 0.200796 O\n0.309812 0.260446 0.232622 O\n0.151641 0.560548 0.339568 O\n0.333602 0.413842 0.155970 O\n0.189594 0.707449 0.266368 O\n0.615281 0.643632 0.298597 O\n0.230507 0.074534 0.326165 O\n0.684664 0.011317 0.358001 O\n0.526539 0.310552 0.464590 O\n0.708257 0.163401 0.281231 O\n0.564910 0.457808 0.391457 O\n0.990486 0.393882 0.423736 O\n0.605555 0.824628 0.451211 O\n0.059635 0.761448 0.483054 O\n0.901248 0.060311 0.589684 O\n0.083412 0.913282 0.406285 O\n0.939962 0.208053 0.516546 O\n0.365435 0.144142 0.548808 O\n0.980531 0.574958 0.576394 O\n0.434615 0.511880 0.608241 O\n0.276464 0.810303 0.714992 O\n0.458119 0.663144 0.531349 O\n0.314746 0.959965 0.641913 O\n0.741044 0.895573 0.674162 O\n0.359064 0.328166 0.702358 O\n0.810076 0.261409 0.733754 O\n0.682533 0.555729 0.842926 O\n0.832944 0.413861 0.656748 O\n0.685936 0.717362 0.769591 O\n0.110408 0.649749 0.797617 O\n0.741981 0.083538 0.829743 O\n0.198121 0.025573 0.859588 O\n0.065093 0.308644 0.967098 O\n0.213791 0.167512 0.782618 O\n0.023347 0.444390 0.896657 O\n0.481271 0.398460 0.918516 O\n0.110104 0.830517 0.952692 O\n0.571758 0.774882 0.982417 O\n0.584047 0.926299 0.907085 O\n",
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"volume": 889.3490943806386,
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"formula_full": "Li14 Zr6 Nb2 Te8 O48",
"formula_reduced": "Li7Zr3Nb(TeO6)4",
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"updated_at": "2021-11-28T01:36:27.547000Z",
"spacegroup": 1
},
{
"id": "mp-8180",
"created_at": "2022-09-04T14:44:25.134748Z",
"structure_string": "Li2 N2 O6\n1.0\n5.316925 -2.382512 0.000000\n5.316925 2.382512 0.000000\n4.249323 0.000000 3.986140\nLi N O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.484175 0.015825 0.750000 O\n0.015825 0.750000 0.484175 O\n0.750000 0.484175 0.015825 O\n0.515825 0.984175 0.250000 O\n0.984175 0.250000 0.515825 O\n0.250000 0.515825 0.984175 O\n",
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"elements": [
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"formula_full": "Li2 N2 O6",
"formula_reduced": "LiNO3",
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"spacegroup": 167
},
{
"id": "mp-1105860",
"created_at": "2022-09-04T14:44:25.144573Z",
"structure_string": "Fe8 Ni4 B4\n1.0\n4.403488 0.000000 0.000000\n0.000000 5.333046 0.000000\n0.000000 0.000000 6.618497\nFe Ni B\n8 4 4\ndirect\n0.353326 0.680795 0.060696 Fe\n0.146674 0.180795 0.439304 Fe\n0.646674 0.319205 0.560696 Fe\n0.853326 0.819205 0.939304 Fe\n0.646674 0.319205 0.939304 Fe\n0.853326 0.819205 0.560696 Fe\n0.353326 0.680795 0.439304 Fe\n0.146674 0.180795 0.060696 Fe\n0.866605 0.530201 0.250000 Ni\n0.633395 0.030201 0.250000 Ni\n0.133395 0.469799 0.750000 Ni\n0.366605 0.969799 0.750000 Ni\n0.055794 0.877547 0.250000 B\n0.444206 0.377547 0.250000 B\n0.944206 0.122453 0.750000 B\n0.555794 0.622453 0.750000 B\n",
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"elements": [
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"density": 7.7432331620081385,
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"volume": 155.42881044853692,
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"formula_full": "Fe8 Ni4 B4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:38.101000Z",
"spacegroup": 62
},
{
"id": "mp-1025249",
"created_at": "2022-09-04T14:44:25.148140Z",
"structure_string": "Sm2 Re2 Si2 C1\n1.0\n2.015866 5.537100 0.000000\n-2.015866 5.537100 0.000000\n0.000000 4.333155 5.615377\nSm Re Si C\n2 2 2 1\ndirect\n0.427908 0.427908 0.302828 Sm\n0.572092 0.572092 0.697172 Sm\n0.794665 0.794665 0.088906 Re\n0.205335 0.205335 0.911094 Re\n0.854640 0.854640 0.689810 Si\n0.145360 0.145360 0.310190 Si\n0.000000 0.000000 0.000000 C\n",
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"elements": [
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],
"chemical_system": "C-Re-Si-Sm",
"density": 9.819725641114207,
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"volume": 125.35825597610594,
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"formula_full": "Sm2 Re2 Si2 C1",
"formula_reduced": "Sm2Re2Si2C",
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"energy": -58.41206824999999,
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"spacegroup": 12
},
{
"id": "mp-21298",
"created_at": "2022-09-04T14:44:25.151274Z",
"structure_string": "Np2 Si4\n1.0\n-1.965989 1.965989 7.126522\n1.965989 -1.965989 7.126522\n1.965989 1.965989 -7.126522\nNp Si\n2 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Np\n0.332186 0.832186 0.500000 Si\n0.582186 0.582186 0.000000 Si\n0.167814 0.667814 0.500000 Si\n0.417814 0.417814 0.000000 Si\n",
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"formula_full": "Np2 Si4",
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{
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"structure_string": "Co4 P4 O14\n1.0\n4.545452 -0.019888 0.000301\n-0.756183 5.443332 0.000046\n-0.000434 -0.000117 9.945684\nCo P O\n4 4 14\ndirect\n0.381497 0.093137 0.160584 Co\n0.618589 0.406874 0.660585 Co\n0.619402 0.907033 0.839293 Co\n0.380512 0.592954 0.339294 Co\n0.147863 0.345346 0.891162 P\n0.852320 0.654738 0.108853 P\n0.147658 0.845245 0.608857 P\n0.852156 0.154672 0.391164 P\n0.999990 0.000032 0.500025 O\n0.000000 0.499970 0.000021 O\n0.707997 0.852374 0.034867 O\n0.291992 0.647626 0.534865 O\n0.291962 0.147587 0.965154 O\n0.708060 0.352421 0.465156 O\n0.889703 0.734086 0.700187 O\n0.889970 0.234267 0.799739 O\n0.110335 0.765931 0.200179 O\n0.109997 0.265710 0.299736 O\n0.380113 0.027536 0.683265 O\n0.380417 0.527620 0.816869 O\n0.619902 0.472469 0.183267 O\n0.619561 0.972373 0.316876 O\n",
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"formula_full": "Co4 P4 O14",
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"spacegroup": 14
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{
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"structure_string": "U2 Ge2 Au2\n1.0\n2.239850 5.253633 0.000000\n-2.239850 5.253633 0.000000\n0.000000 4.273889 5.315919\nU Ge Au\n2 2 2\ndirect\n0.454449 0.454449 0.797460 U\n0.545551 0.545551 0.202540 U\n0.158909 0.158909 0.812187 Ge\n0.841091 0.841091 0.187813 Ge\n0.834063 0.834063 0.603878 Au\n0.165937 0.165937 0.396122 Au\n",
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{
"id": "mp-770736",
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"structure_string": "Na8 Cr4 As2 C8 O32\n1.0\n5.206458 8.492414 0.121830\n-4.799338 8.570705 0.015368\n-5.206458 2.647240 8.070196\nNa Cr As C O\n8 4 2 8 32\ndirect\n0.088551 0.822897 0.838551 Na\n0.088446 0.250000 0.838446 Na\n0.338446 0.750000 0.588446 Na\n0.338551 0.322897 0.588551 Na\n0.661449 0.677103 0.411449 Na\n0.661554 0.250000 0.411554 Na\n0.911554 0.750000 0.161554 Na\n0.911449 0.177103 0.161449 Na\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.125000 0.750000 0.375000 As\n0.875000 0.250000 0.625000 As\n0.365042 0.924205 0.782989 C\n0.282989 0.424205 0.865042 C\n0.710753 0.924205 0.792806 C\n0.707194 0.575795 0.789247 C\n0.292806 0.424205 0.210753 C\n0.289247 0.075795 0.207194 C\n0.717011 0.575795 0.134958 C\n0.634958 0.075795 0.217011 C\n0.359078 0.786292 0.893157 O\n0.060078 0.897912 0.439572 O\n0.367529 0.950004 0.643223 O\n0.143223 0.450004 0.867529 O\n0.682466 0.950004 0.906773 O\n0.309656 0.544283 0.859171 O\n0.042010 0.897912 0.162516 O\n0.060428 0.602088 0.439922 O\n0.403454 0.955717 0.353939 O\n0.593227 0.549996 0.817534 O\n0.393157 0.286292 0.859078 O\n0.337484 0.602088 0.457990 O\n0.854630 0.786292 0.820550 O\n0.679450 0.713708 0.645370 O\n0.359171 0.044283 0.809656 O\n0.146061 0.544283 0.096546 O\n0.853939 0.455717 0.903454 O\n0.640829 0.955717 0.190344 O\n0.320550 0.286292 0.354630 O\n0.145370 0.213708 0.179450 O\n0.662516 0.397912 0.542010 O\n0.606843 0.713708 0.140922 O\n0.406773 0.450004 0.182466 O\n0.596546 0.044283 0.646061 O\n0.939572 0.397912 0.560078 O\n0.957990 0.102088 0.837484 O\n0.690344 0.455717 0.140829 O\n0.317534 0.049996 0.093227 O\n0.856777 0.549996 0.132471 O\n0.632471 0.049996 0.356777 O\n0.939922 0.102088 0.560428 O\n0.640922 0.213708 0.106843 O\n",
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{
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{
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{
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{
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}