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{
"id": "mp-1106005",
"created_at": "2022-09-04T14:41:10.828107Z",
"structure_string": "Yb4 Ag4 Se8\n1.0\n4.365113 0.000000 0.000000\n0.000000 6.720339 0.000000\n0.000000 0.000000 13.844847\nYb Ag Se\n4 4 8\ndirect\n0.246793 0.699973 0.624040 Yb\n0.746793 0.800027 0.375960 Yb\n0.753207 0.199973 0.875960 Yb\n0.253207 0.300027 0.124040 Yb\n0.502168 0.703241 0.872268 Ag\n0.002168 0.796759 0.127732 Ag\n0.497832 0.203241 0.627732 Ag\n0.997832 0.296759 0.372268 Ag\n0.740369 0.903865 0.724767 Se\n0.240369 0.596135 0.275233 Se\n0.259631 0.403865 0.775233 Se\n0.759631 0.096135 0.224767 Se\n0.761494 0.487303 0.522576 Se\n0.261494 0.012697 0.477424 Se\n0.238506 0.987303 0.977424 Se\n0.738506 0.512697 0.022576 Se\n",
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{
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"structure_string": "Y1 Fe4 Cu3 O12\n1.0\n-3.724065 3.725172 -3.718044\n3.724051 -3.725183 -3.718042\n-3.724048 -3.725167 -3.718056\nY Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.999999 Y\n0.500001 0.999997 0.000003 Fe\n0.999999 0.999998 0.500004 Fe\n0.000003 0.500003 0.999996 Fe\n0.500003 0.500001 0.499997 Fe\n0.499999 0.000002 0.499998 Cu\n0.499996 0.499998 0.999999 Cu\n0.999998 0.500000 0.500002 Cu\n0.691983 0.527690 0.164292 O\n0.308018 0.472311 0.835707 O\n0.691986 0.856280 0.835705 O\n0.308014 0.143722 0.164294 O\n0.835133 0.307446 0.857421 O\n0.164867 0.692553 0.142579 O\n0.164869 0.307446 0.527686 O\n0.835131 0.692555 0.472313 O\n0.472418 0.164993 0.692577 O\n0.527582 0.835006 0.307424 O\n0.142430 0.835006 0.692577 O\n0.857571 0.164993 0.307425 O\n",
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"formula_full": "Y1 Fe4 Cu3 O12",
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"updated_at": "2021-11-28T01:35:26.534000Z",
"spacegroup": 204
},
{
"id": "mp-1520963",
"created_at": "2022-09-04T14:41:10.840065Z",
"structure_string": "Sr1 Sm1 Mn1 Sn1 O6\n1.0\n-0.000000 -4.013909 -4.013909\n4.013909 0.000000 -4.013909\n4.013909 -4.013909 -0.000000\nSr Sm Mn Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.753344 0.246656 0.246656 O\n0.246656 0.753344 0.753344 O\n0.753344 0.246656 0.753344 O\n0.246656 0.753344 0.246656 O\n0.753344 0.753344 0.246656 O\n0.246656 0.246656 0.753344 O\n",
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"formula_full": "Sr1 Sm1 Mn1 Sn1 O6",
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"formula_anonymous": "ABCDE6",
"energy": -75.38883969000001,
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"spacegroup": 216
},
{
"id": "mp-9113",
"created_at": "2022-09-04T14:41:10.867514Z",
"structure_string": "Cs4 Be4 As4 O16\n1.0\n5.234211 0.000000 0.000000\n0.000000 8.983641 0.000000\n0.000000 0.000000 9.552002\nCs Be As O\n4 4 4 16\ndirect\n0.498684 0.318239 0.492981 Cs\n0.998684 0.681761 0.507019 Cs\n0.498684 0.181761 0.992981 Cs\n0.998684 0.818239 0.007019 Cs\n0.998449 0.096267 0.330782 Be\n0.498449 0.596267 0.169218 Be\n0.998449 0.403733 0.830782 Be\n0.498449 0.903733 0.669218 Be\n0.500061 0.914395 0.326190 As\n0.000061 0.085605 0.673810 As\n0.500061 0.585605 0.826190 As\n0.000061 0.414395 0.173810 As\n0.016735 0.127687 0.499700 O\n0.516735 0.627687 0.000300 O\n0.016735 0.372313 0.999700 O\n0.516735 0.872313 0.500300 O\n0.695490 0.463779 0.222974 O\n0.195490 0.536221 0.777026 O\n0.695490 0.036221 0.722974 O\n0.195490 0.963779 0.277026 O\n0.589726 0.756395 0.239337 O\n0.089726 0.243605 0.760663 O\n0.589726 0.743605 0.739337 O\n0.089726 0.256395 0.260663 O\n0.706855 0.444993 0.778620 O\n0.206855 0.555007 0.221380 O\n0.706855 0.055007 0.278620 O\n0.206855 0.944993 0.721380 O\n",
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"volume": 449.15684136812666,
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"formula_full": "Cs4 Be4 As4 O16",
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"updated_at": "2021-11-28T01:35:11.453000Z",
"spacegroup": 33
},
{
"id": "mp-1235255",
"created_at": "2022-09-04T14:41:10.870301Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.865282 -0.012923 4.180570\n-3.387720 6.488871 0.004596\n0.075694 0.012393 8.331058\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.058640 0.871827 0.142663 Li\n0.495373 0.481964 0.509814 Ti\n0.498287 0.013253 0.518790 Ti\n0.521093 0.297284 0.174505 Zn\n0.771397 0.767659 0.655892 Zn\n0.520126 0.266522 0.857811 P\n0.477074 0.733952 0.145457 P\n0.505884 0.084939 0.765970 O\n0.522645 0.439974 0.751252 O\n0.405731 0.883718 0.295161 O\n0.528646 0.575792 0.227716 O\n0.141818 0.640603 0.189035 O\n0.860450 0.848168 0.843834 O\n0.872036 0.358511 0.802679 O\n0.155915 0.170006 0.160421 O\n0.583865 0.770880 0.534369 O\n0.487712 0.240075 0.408834 O\n",
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"density": 3.664792512522545,
"density_atomic": 0.08238028049931918,
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"volume_molar": 7.310172681494778,
"formula_full": "Li1 Ti2 Zn2 P2 O10",
"formula_reduced": "LiTi2Zn2(PO5)2",
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{
"id": "mp-1199486",
"created_at": "2022-09-04T14:41:10.872345Z",
"structure_string": "Gd20 Si16\n1.0\n-7.517386 -0.000491 0.004219\n0.004365 0.001247 -7.769709\n-0.000966 -14.804702 0.002379\nGd Si\n20 16\ndirect\n0.471216 0.682690 0.597380 Gd\n0.971687 0.816162 0.901357 Gd\n0.528149 0.317265 0.097983 Gd\n0.028553 0.183379 0.403388 Gd\n0.528752 0.316432 0.403591 Gd\n0.030181 0.181972 0.098382 Gd\n0.469830 0.683453 0.900384 Gd\n0.970840 0.816524 0.597238 Gd\n0.816582 0.320859 0.621774 Gd\n0.315877 0.179462 0.876112 Gd\n0.183096 0.680104 0.123172 Gd\n0.684065 0.820778 0.378788 Gd\n0.183458 0.679558 0.378431 Gd\n0.684251 0.820312 0.122967 Gd\n0.816672 0.321468 0.875776 Gd\n0.315659 0.180196 0.622125 Gd\n0.354773 0.010612 0.251522 Gd\n0.857676 0.489333 0.252199 Gd\n0.644315 0.987326 0.748930 Gd\n0.144134 0.512470 0.748865 Gd\n0.643600 0.028078 0.540268 Si\n0.144242 0.473179 0.959376 Si\n0.356187 0.970758 0.039713 Si\n0.857036 0.527911 0.460522 Si\n0.355701 0.971647 0.460433 Si\n0.857294 0.528957 0.039628 Si\n0.643232 0.027072 0.959361 Si\n0.143727 0.472173 0.540123 Si\n0.477913 0.601060 0.250474 Si\n0.979235 0.899333 0.250657 Si\n0.520319 0.400570 0.749225 Si\n0.021281 0.100292 0.749115 Si\n0.240289 0.374987 0.250880 Si\n0.741327 0.124734 0.251104 Si\n0.759865 0.624677 0.749192 Si\n0.258989 0.874216 0.749565 Si\n",
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"density": 6.902406181561352,
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"volume": 864.7112799129403,
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"formula_full": "Gd20 Si16",
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{
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"structure_string": "Ag12 P12 H12 N12 O24\n1.0\n7.960332 0.000000 0.000000\n0.000000 10.091973 0.000000\n0.000000 3.480379 11.355857\nAg P H N O\n12 12 12 12 24\ndirect\n0.557814 0.730112 0.241327 Ag\n0.057814 0.769888 0.758673 Ag\n0.442186 0.269888 0.758673 Ag\n0.942186 0.230112 0.241327 Ag\n0.579235 0.439676 0.144962 Ag\n0.079235 0.060324 0.855038 Ag\n0.420765 0.560324 0.855038 Ag\n0.920765 0.939676 0.144962 Ag\n0.646242 0.337998 0.441776 Ag\n0.146242 0.162002 0.558224 Ag\n0.353758 0.662002 0.558224 Ag\n0.853758 0.837998 0.441776 Ag\n0.943958 0.578570 0.264989 P\n0.443958 0.921430 0.735011 P\n0.056042 0.421430 0.735011 P\n0.556042 0.078570 0.264989 P\n0.222410 0.629275 0.085444 P\n0.722409 0.870725 0.914556 P\n0.777590 0.370725 0.914556 P\n0.277590 0.129275 0.085444 P\n0.280961 0.449635 0.329194 P\n0.780961 0.050365 0.670806 P\n0.719039 0.550365 0.670806 P\n0.219039 0.949635 0.329194 P\n0.938212 0.646158 0.057091 H\n0.438212 0.853842 0.942909 H\n0.061788 0.353842 0.942909 H\n0.561788 0.146158 0.057091 H\n0.252053 0.393241 0.153191 H\n0.752053 0.106759 0.846809 H\n0.747947 0.606759 0.846809 H\n0.247947 0.893241 0.153191 H\n0.164272 0.640962 0.361601 H\n0.664272 0.859038 0.638399 H\n0.835728 0.359038 0.638399 H\n0.335728 0.140962 0.361601 H\n0.020581 0.633308 0.125854 N\n0.520581 0.866692 0.874146 N\n0.979419 0.366692 0.874146 N\n0.479419 0.133308 0.125854 N\n0.301469 0.476493 0.178217 N\n0.801469 0.023507 0.821783 N\n0.698531 0.523507 0.821783 N\n0.198531 0.976493 0.178217 N\n0.121739 0.551755 0.344470 N\n0.621739 0.948245 0.655530 N\n0.878261 0.448245 0.655530 N\n0.378261 0.051755 0.344470 N\n0.849114 0.693806 0.295803 O\n0.349114 0.806194 0.704197 O\n0.150886 0.306194 0.704197 O\n0.650886 0.193806 0.295803 O\n0.845638 0.445270 0.279790 O\n0.345638 0.054730 0.720210 O\n0.154362 0.554730 0.720210 O\n0.654362 0.945270 0.279790 O\n0.324181 0.747069 0.107068 O\n0.824181 0.752931 0.892932 O\n0.675819 0.252931 0.892932 O\n0.175819 0.247069 0.107068 O\n0.217661 0.615458 0.962047 O\n0.717661 0.884542 0.037953 O\n0.782339 0.384542 0.037953 O\n0.282339 0.115458 0.962047 O\n0.435771 0.505882 0.373811 O\n0.935771 0.994118 0.626189 O\n0.564229 0.494118 0.626189 O\n0.064229 0.005882 0.373811 O\n0.238820 0.297100 0.377685 O\n0.738820 0.202900 0.622315 O\n0.761180 0.702900 0.622315 O\n0.261180 0.797100 0.377685 O\n",
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"formula_full": "Ag12 P12 H12 N12 O24",
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{
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"created_at": "2022-09-04T14:41:10.761601Z",
"structure_string": "Mo2 P2 O11\n1.0\n6.536768 0.000000 0.000000\n0.000000 3.889265 0.000000\n0.000000 1.875361 8.603790\nMo P O\n2 2 11\ndirect\n0.500000 0.352106 0.270111 Mo\n0.000000 0.659746 0.716712 Mo\n0.500000 0.680420 0.847256 P\n0.000000 0.404091 0.164946 P\n0.500000 0.868949 0.244311 O\n0.000000 0.112657 0.753092 O\n0.500000 0.262384 0.467902 O\n0.000000 0.737058 0.518969 O\n0.500000 0.480059 0.019843 O\n0.000000 0.491122 0.995109 O\n0.814235 0.354559 0.263342 O\n0.185765 0.354559 0.263342 O\n0.299554 0.617127 0.754172 O\n0.700446 0.617127 0.754172 O\n0.500000 0.065547 0.849883 O\n",
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{
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