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{
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{
"id": "mp-1225868",
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"structure_string": "Dy2 Fe15 Co2 C1 N1\n1.0\n-4.269781 2.443278 4.155903\n-0.027261 -4.936392 4.158046\n4.311266 2.497711 4.165569\nDy Fe Co C N\n2 15 2 1 1\ndirect\n0.661039 0.651444 0.658659 Dy\n0.338961 0.348556 0.341341 Dy\n0.345186 0.852030 0.340800 Fe\n0.850822 0.343954 0.341007 Fe\n0.347629 0.345893 0.856584 Fe\n0.654814 0.147970 0.659200 Fe\n0.149178 0.656046 0.658993 Fe\n0.652371 0.654107 0.143416 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.713400 0.000827 0.285037 Fe\n0.002446 0.281392 0.718448 Fe\n0.287077 0.714274 0.997670 Fe\n0.997554 0.718608 0.281552 Fe\n0.712923 0.285726 0.002330 Fe\n0.286600 0.999173 0.714963 Fe\n0.904762 0.905595 0.907845 Co\n0.095238 0.094405 0.092155 Co\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 N\n",
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"spacegroup": 2
},
{
"id": "mp-1096537",
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"structure_string": "Li1 Ca1 Pb2\n1.0\n-5.827191 6.601356 9.333817\n5.827191 -6.601356 9.333817\n5.827191 6.601356 -9.333817\nLi Ca Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.239217 0.239217 Pb\n0.000000 0.760783 0.760783 Pb\n",
"nsites": 4,
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"formula_full": "Li1 Ca1 Pb2",
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"updated_at": "2021-11-28T01:36:02.413000Z",
"spacegroup": 71
},
{
"id": "mp-541060",
"created_at": "2022-09-04T14:43:15.794942Z",
"structure_string": "K8 Re12 Se24\n1.0\n5.123339 8.759676 0.000000\n-5.123339 8.759676 0.000000\n0.000000 0.341297 12.524907\nK Re Se\n8 12 24\ndirect\n0.602611 0.397389 0.750000 K\n0.397389 0.602611 0.250000 K\n0.216406 0.783594 0.750000 K\n0.783594 0.216406 0.250000 K\n0.122124 0.648811 0.016864 K\n0.351189 0.877876 0.483136 K\n0.877876 0.351189 0.983136 K\n0.648811 0.122124 0.516864 K\n0.003478 0.315650 0.525831 Re\n0.684350 0.996522 0.974169 Re\n0.996522 0.684350 0.474169 Re\n0.315650 0.003478 0.025831 Re\n0.112627 0.469991 0.625584 Re\n0.530009 0.887373 0.874416 Re\n0.887373 0.530009 0.374416 Re\n0.469991 0.112627 0.125584 Re\n0.818397 0.600951 0.581276 Re\n0.399049 0.181603 0.918724 Re\n0.181603 0.399049 0.418724 Re\n0.600951 0.818397 0.081276 Re\n0.071927 0.253814 0.330518 Se\n0.746186 0.928073 0.169482 Se\n0.928073 0.746186 0.669482 Se\n0.253814 0.071927 0.830518 Se\n0.799169 0.715135 0.930819 Se\n0.284865 0.200831 0.569181 Se\n0.200831 0.284865 0.069181 Se\n0.715135 0.799169 0.430819 Se\n0.059917 0.610717 0.279108 Se\n0.389283 0.940083 0.220892 Se\n0.940083 0.389283 0.720892 Se\n0.610717 0.059917 0.779108 Se\n0.280240 0.551386 0.518534 Se\n0.448614 0.719760 0.981466 Se\n0.719760 0.448614 0.481466 Se\n0.551386 0.280240 0.018534 Se\n0.068536 0.995923 0.081109 Se\n0.004077 0.931464 0.418891 Se\n0.931464 0.004077 0.918891 Se\n0.995923 0.068536 0.581109 Se\n0.264875 0.438533 0.804040 Se\n0.561467 0.735125 0.695960 Se\n0.735125 0.561467 0.195960 Se\n0.438533 0.264875 0.304040 Se\n",
"nsites": 44,
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"elements": [
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],
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"density_atomic": 0.03913875754716918,
"volume": 1124.205333983128,
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"formula_full": "K8 Re12 Se24",
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"updated_at": "2021-11-28T01:36:00.825000Z",
"spacegroup": 15
},
{
"id": "mp-1226138",
"created_at": "2022-09-04T14:43:15.796770Z",
"structure_string": "Cs2 W1 O2 F4\n1.0\n3.220219 5.531284 0.000000\n-3.220219 5.531284 0.000000\n0.000000 0.179278 5.149269\nCs W O F\n2 1 2 4\ndirect\n0.330202 0.330202 0.310946 Cs\n0.669798 0.669798 0.689054 Cs\n0.000000 0.000000 0.000000 W\n0.139351 0.139351 0.794417 O\n0.860649 0.860649 0.205583 O\n0.709074 0.148934 0.785688 F\n0.148934 0.709074 0.785688 F\n0.290926 0.851066 0.214312 F\n0.851066 0.290926 0.214312 F\n",
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"elements": [
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"F"
],
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"density": 5.047991994048634,
"density_atomic": 0.04906316583408956,
"volume": 183.43700099651363,
"volume_molar": 12.274260451036284,
"formula_full": "Cs2 W1 O2 F4",
"formula_reduced": "Cs2W(OF2)2",
"formula_anonymous": "AB2C2D4",
"energy": -56.5247615,
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"updated_at": "2021-11-28T01:36:10.270000Z",
"spacegroup": 12
},
{
"id": "mp-1518792",
"created_at": "2022-09-04T14:43:15.798462Z",
"structure_string": "Sr1 Eu1 Cr1 Sn1 O6\n1.0\n-0.000000 -4.005696 -4.005696\n4.005696 0.000000 -4.005696\n4.005696 -4.005696 0.000000\nSr Eu Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.754584 0.245416 0.245416 O\n0.245416 0.754584 0.754584 O\n0.754584 0.245416 0.754584 O\n0.245416 0.754584 0.245416 O\n0.754584 0.754584 0.245416 O\n0.245416 0.245416 0.754584 O\n",
"nsites": 10,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Cr-Eu-O-Sn-Sr",
"density": 6.540056326292334,
"density_atomic": 0.0777921982689082,
"volume": 128.54759503559083,
"volume_molar": 7.741317116638052,
"formula_full": "Sr1 Eu1 Cr1 Sn1 O6",
"formula_reduced": "SrEuCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -81.40898214,
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"updated_at": "2021-11-28T01:36:09.282000Z",
"spacegroup": 216
},
{
"id": "mp-1220460",
"created_at": "2022-09-04T14:43:16.125503Z",
"structure_string": "Nb4 Cu1 Se8\n1.0\n1.754144 13.446050 0.000000\n-1.754144 13.446050 0.000000\n0.000000 1.352003 5.919566\nNb Cu Se\n4 1 8\ndirect\n0.375101 0.375101 0.636006 Nb\n0.875544 0.875544 0.115174 Nb\n0.624899 0.624899 0.363994 Nb\n0.124456 0.124456 0.884826 Nb\n0.000000 0.000000 0.000000 Cu\n0.940689 0.940689 0.719985 Se\n0.438861 0.438861 0.234842 Se\n0.561139 0.561139 0.765158 Se\n0.059311 0.059311 0.280015 Se\n0.686993 0.686993 0.645141 Se\n0.189732 0.189732 0.143350 Se\n0.810268 0.810268 0.856650 Se\n0.313007 0.313007 0.354859 Se\n",
"nsites": 13,
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"elements": [
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"Cu",
"Se"
],
"chemical_system": "Cu-Nb-Se",
"density": 6.34414719597572,
"density_atomic": 0.04655469925035722,
"volume": 279.24141299012365,
"volume_molar": 12.93562380806013,
"formula_full": "Nb4 Cu1 Se8",
"formula_reduced": "Nb4CuSe8",
"formula_anonymous": "AB4C8",
"energy": -86.37982534999999,
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"updated_at": "2021-11-28T01:36:03.160000Z",
"spacegroup": 12
},
{
"id": "mp-608655",
"created_at": "2022-09-04T14:43:15.723138Z",
"structure_string": "Mn40 Si16\n1.0\n8.530707 0.000000 0.000000\n0.000000 8.723737 0.000000\n0.000000 0.000000 8.723737\nMn Si\n40 16\ndirect\n0.000000 0.863732 0.863732 Mn\n0.000000 0.546387 0.546387 Mn\n0.902083 0.723699 0.326010 Mn\n0.785622 0.456706 0.369063 Mn\n0.250000 0.953613 0.046387 Mn\n0.169726 0.814282 0.579616 Mn\n0.035622 0.130937 0.956706 Mn\n0.152083 0.173990 0.223699 Mn\n0.080274 0.685718 0.079616 Mn\n0.714378 0.630937 0.543294 Mn\n0.500000 0.453613 0.453613 Mn\n0.580274 0.314282 0.920384 Mn\n0.214378 0.369063 0.456706 Mn\n0.073928 0.398112 0.009259 Mn\n0.323928 0.490741 0.898112 Mn\n0.830274 0.579616 0.814282 Mn\n0.919726 0.079616 0.685718 Mn\n0.500000 0.136268 0.136268 Mn\n0.597917 0.673990 0.276301 Mn\n0.176072 0.101888 0.509259 Mn\n0.652083 0.826010 0.776301 Mn\n0.669726 0.185718 0.420384 Mn\n0.847917 0.223699 0.173990 Mn\n0.535622 0.869063 0.043294 Mn\n0.285622 0.543294 0.630937 Mn\n0.330274 0.420384 0.185718 Mn\n0.926072 0.009259 0.398112 Mn\n0.750000 0.046387 0.953613 Mn\n0.250000 0.636268 0.363732 Mn\n0.676072 0.898112 0.490741 Mn\n0.823928 0.509259 0.101888 Mn\n0.573928 0.601888 0.990741 Mn\n0.419726 0.920384 0.314282 Mn\n0.402083 0.276301 0.673990 Mn\n0.097917 0.326010 0.723699 Mn\n0.426072 0.990741 0.601888 Mn\n0.464378 0.043294 0.869063 Mn\n0.750000 0.363732 0.636268 Mn\n0.347917 0.776301 0.826010 Mn\n0.964378 0.956706 0.130937 Mn\n0.351222 0.692722 0.116155 Si\n0.898778 0.807278 0.616155 Si\n0.148778 0.883845 0.307278 Si\n0.851222 0.307278 0.883845 Si\n0.048114 0.467409 0.265495 Si\n0.201885 0.032591 0.765495 Si\n0.648778 0.116155 0.692722 Si\n0.101222 0.616155 0.807278 Si\n0.548114 0.532591 0.734505 Si\n0.798114 0.765495 0.032591 Si\n0.701886 0.967409 0.234505 Si\n0.451885 0.734505 0.532591 Si\n0.398778 0.192722 0.383845 Si\n0.298115 0.234505 0.967409 Si\n0.601222 0.383845 0.192722 Si\n0.951886 0.265495 0.467409 Si\n",
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"volume": 649.2174044374738,
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"formula_full": "Mn40 Si16",
"formula_reduced": "Mn5Si2",
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"spacegroup": 92
},
{
"id": "mp-1522145",
"created_at": "2022-09-04T14:43:15.732774Z",
"structure_string": "Ca1 La1 Pr1 Mn1 O6\n1.0\n0.000000 -4.030363 -4.030363\n4.030363 0.000000 -4.030363\n4.030363 -4.030363 0.000000\nCa La Pr Mn O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Mn\n0.733237 0.266763 0.266763 O\n0.266763 0.733237 0.733237 O\n0.733237 0.266763 0.733237 O\n0.266763 0.733237 0.266763 O\n0.733237 0.733237 0.266763 O\n0.266763 0.266763 0.733237 O\n",
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"elements": [
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"La",
"Pr",
"Mn",
"O"
],
"chemical_system": "Ca-La-Mn-O-Pr",
"density": 5.970994187311439,
"density_atomic": 0.07637258925300215,
"volume": 130.93702986647014,
"volume_molar": 7.885212245522072,
"formula_full": "Ca1 La1 Pr1 Mn1 O6",
"formula_reduced": "CaLaPrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -80.33237624,
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"spacegroup": 216
},
{
"id": "mp-1336703",
"created_at": "2022-09-04T14:43:15.734415Z",
"structure_string": "Al20 Bi12 Se48\n1.0\n7.911347 0.000000 0.000000\n0.000000 7.911347 0.000000\n0.000000 0.000000 37.767853\nAl Bi Se\n20 12 48\ndirect\n0.000000 0.000000 0.832943 Al\n0.000000 0.000000 0.167057 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.917096 Al\n0.000000 0.000000 0.582904 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.332943 Al\n0.000000 0.000000 0.667057 Al\n0.500000 0.500000 0.082646 Al\n0.500000 0.500000 0.417354 Al\n0.500000 0.500000 0.750000 Al\n0.500000 0.500000 0.333032 Al\n0.500000 0.500000 0.666968 Al\n0.500000 0.500000 0.833032 Al\n0.500000 0.500000 0.166968 Al\n0.000000 0.000000 0.082904 Al\n0.000000 0.000000 0.417096 Al\n0.500000 0.500000 0.917354 Al\n0.500000 0.500000 0.250000 Al\n0.500000 0.500000 0.582646 Al\n0.000000 0.500000 0.874853 Bi\n0.000000 0.500000 0.208681 Bi\n0.000000 0.500000 0.541677 Bi\n0.500000 0.000000 0.125147 Bi\n0.500000 0.000000 0.458323 Bi\n0.500000 0.000000 0.791319 Bi\n0.500000 0.000000 0.041677 Bi\n0.500000 0.000000 0.374853 Bi\n0.500000 0.000000 0.708681 Bi\n0.000000 0.500000 0.958323 Bi\n0.000000 0.500000 0.291319 Bi\n0.000000 0.500000 0.625147 Bi\n0.337313 0.668283 0.874575 Se\n0.336830 0.668705 0.208518 Se\n0.334285 0.661224 0.542203 Se\n0.338776 0.665715 0.042203 Se\n0.331717 0.662687 0.374575 Se\n0.331295 0.663170 0.708518 Se\n0.836926 0.831169 0.041605 Se\n0.836932 0.832529 0.375634 Se\n0.833321 0.841429 0.707772 Se\n0.662687 0.331717 0.874575 Se\n0.663170 0.331295 0.208518 Se\n0.665715 0.338776 0.542203 Se\n0.331717 0.337313 0.125425 Se\n0.338776 0.334285 0.457797 Se\n0.331295 0.336830 0.791482 Se\n0.168831 0.836926 0.958395 Se\n0.158571 0.833321 0.292228 Se\n0.167471 0.836932 0.624366 Se\n0.334285 0.338776 0.957797 Se\n0.336830 0.331295 0.291482 Se\n0.337313 0.331717 0.625425 Se\n0.832529 0.836932 0.875634 Se\n0.841429 0.833321 0.207772 Se\n0.831169 0.836926 0.541605 Se\n0.831169 0.163074 0.958395 Se\n0.841429 0.166679 0.292228 Se\n0.832529 0.163068 0.624366 Se\n0.668283 0.662687 0.125425 Se\n0.661224 0.665715 0.457797 Se\n0.668705 0.663170 0.791482 Se\n0.167471 0.163068 0.875634 Se\n0.158571 0.166679 0.207772 Se\n0.168831 0.163074 0.541605 Se\n0.661224 0.334285 0.042203 Se\n0.668283 0.337313 0.374575 Se\n0.668705 0.336830 0.708518 Se\n0.163074 0.168831 0.041605 Se\n0.163068 0.167471 0.375634 Se\n0.166679 0.158571 0.707772 Se\n0.836932 0.167471 0.124366 Se\n0.836926 0.168831 0.458395 Se\n0.833321 0.158571 0.792228 Se\n0.163068 0.832529 0.124366 Se\n0.163074 0.831169 0.458395 Se\n0.166679 0.841429 0.792228 Se\n0.665715 0.661224 0.957797 Se\n0.663170 0.668705 0.291482 Se\n0.662687 0.668283 0.625425 Se\n",
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{
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}
]
}