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{
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{
"id": "mp-1192816",
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"structure_string": "Cs12 Sb4 Se12\n1.0\n10.872734 0.000000 0.000000\n0.000000 10.872734 0.000000\n0.000000 0.000000 10.872734\nCs Sb Se\n12 4 12\ndirect\n0.186562 0.686562 0.813438 Cs\n0.686562 0.813438 0.186562 Cs\n0.813438 0.186562 0.686562 Cs\n0.313438 0.313438 0.313438 Cs\n0.925232 0.425232 0.074768 Cs\n0.425232 0.074768 0.925232 Cs\n0.074768 0.925232 0.425232 Cs\n0.574768 0.574768 0.574768 Cs\n0.689616 0.189616 0.310384 Cs\n0.189616 0.310384 0.689616 Cs\n0.310384 0.689616 0.189616 Cs\n0.810384 0.810384 0.810384 Cs\n0.475038 0.975038 0.524962 Sb\n0.975038 0.524962 0.475038 Sb\n0.524962 0.475038 0.975038 Sb\n0.024962 0.024962 0.024962 Sb\n0.006990 0.797213 0.095766 Se\n0.904234 0.506990 0.702787 Se\n0.297213 0.404234 0.993010 Se\n0.506990 0.702787 0.904234 Se\n0.404234 0.993010 0.297213 Se\n0.797213 0.095766 0.006990 Se\n0.993010 0.297213 0.404234 Se\n0.095766 0.006990 0.797213 Se\n0.702787 0.904234 0.506990 Se\n0.493010 0.202787 0.595766 Se\n0.595766 0.493010 0.202787 Se\n0.202787 0.595766 0.493010 Se\n",
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"formula_full": "Cs12 Sb4 Se12",
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},
{
"id": "mp-1195326",
"created_at": "2022-09-04T14:48:01.589324Z",
"structure_string": "H12 C4 S4 N4 O4 F8\n1.0\n4.001720 6.160161 0.000000\n-4.001720 6.160161 0.000000\n0.000000 1.207974 11.342423\nH C S N O F\n12 4 4 4 4 8\ndirect\n0.666066 0.487808 0.836395 H\n0.512192 0.333934 0.663605 H\n0.333934 0.512192 0.163605 H\n0.487808 0.666066 0.336395 H\n0.552869 0.677751 0.938836 H\n0.322249 0.447131 0.561164 H\n0.447131 0.322249 0.061164 H\n0.677751 0.552869 0.438836 H\n0.562864 0.744325 0.784024 H\n0.255675 0.437136 0.715976 H\n0.437136 0.255675 0.215976 H\n0.744325 0.562864 0.284024 H\n0.642923 0.639613 0.855449 C\n0.360387 0.357077 0.644551 C\n0.357077 0.360387 0.144551 C\n0.639613 0.642923 0.355449 C\n0.884816 0.795293 0.911981 S\n0.204707 0.115184 0.588019 S\n0.115184 0.204707 0.088019 S\n0.795293 0.884816 0.411981 S\n0.841214 0.639625 0.862816 N\n0.360375 0.158786 0.637184 N\n0.158786 0.360375 0.137184 N\n0.639625 0.841214 0.362816 N\n0.084850 0.776469 0.916330 O\n0.223531 0.915150 0.583670 O\n0.915150 0.223531 0.083670 O\n0.776469 0.084850 0.416330 O\n0.777028 0.852665 0.040578 F\n0.147335 0.222972 0.459422 F\n0.222972 0.147335 0.959422 F\n0.852665 0.777028 0.540578 F\n0.758785 0.015819 0.855103 F\n0.984181 0.241215 0.644897 F\n0.241215 0.984181 0.144897 F\n0.015819 0.758785 0.355103 F\n",
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"elements": [
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"N",
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],
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"density": 1.3671588293654504,
"density_atomic": 0.06437658053666113,
"volume": 559.2095712430507,
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"formula_full": "H12 C4 S4 N4 O4 F8",
"formula_reduced": "H3CSNOF2",
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"spacegroup": 15
},
{
"id": "mp-1226005",
"created_at": "2022-09-04T14:48:01.592290Z",
"structure_string": "Co2 Sb2 Te2\n1.0\n0.000000 0.000000 3.821160\n5.316609 -0.057471 0.000000\n-0.069065 6.259918 0.000000\nCo Sb Te\n2 2 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.718665 0.137809 Sb\n0.500000 0.281335 0.862191 Sb\n0.000000 0.225417 0.356897 Te\n0.000000 0.774583 0.643103 Te\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.05186047034843,
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"formula_full": "Co2 Sb2 Te2",
"formula_reduced": "CoSbTe",
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"updated_at": "2021-11-28T01:38:22.612000Z",
"spacegroup": 10
},
{
"id": "mp-1186328",
"created_at": "2022-09-04T14:48:01.593621Z",
"structure_string": "Nd1 Sm1 Mg2\n1.0\n0.000000 3.867099 3.867099\n3.867099 0.000000 3.867099\n3.867099 3.867099 0.000000\nNd Sm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
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"elements": [
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"volume": 115.66071344467075,
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"formula_full": "Nd1 Sm1 Mg2",
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{
"id": "mp-23961",
"created_at": "2022-09-04T14:48:01.598439Z",
"structure_string": "Na12 As4 H72 Se16 O36\n1.0\n12.224363 0.000000 0.000000\n0.000000 12.224363 0.000000\n0.000000 0.000000 12.224363\nNa As H Se O\n12 4 72 16 36\ndirect\n0.399807 0.100193 0.899807 Na\n0.100193 0.899807 0.399807 Na\n0.899807 0.399807 0.100193 Na\n0.600193 0.600193 0.600193 Na\n0.550612 0.949388 0.050612 Na\n0.949388 0.050612 0.550612 Na\n0.050612 0.550612 0.949388 Na\n0.291774 0.291774 0.291774 Na\n0.449388 0.449388 0.449388 Na\n0.791774 0.208226 0.708226 Na\n0.208226 0.708226 0.791774 Na\n0.708226 0.791774 0.208226 Na\n0.460723 0.960723 0.539277 As\n0.539277 0.460723 0.960723 As\n0.960723 0.539277 0.460723 As\n0.039277 0.039277 0.039277 As\n0.435784 0.693241 0.877693 H\n0.935784 0.806759 0.122307 H\n0.564216 0.193241 0.622307 H\n0.806759 0.122307 0.935784 H\n0.622307 0.564216 0.193241 H\n0.122307 0.935784 0.806759 H\n0.693241 0.877693 0.435784 H\n0.877693 0.435784 0.693241 H\n0.193241 0.622307 0.564216 H\n0.306759 0.377693 0.064216 H\n0.377693 0.064216 0.306759 H\n0.064216 0.306759 0.377693 H\n0.448741 0.773275 0.777509 H\n0.948741 0.726725 0.222491 H\n0.551259 0.273275 0.722491 H\n0.726725 0.222491 0.948741 H\n0.722491 0.551259 0.273275 H\n0.222491 0.948741 0.726725 H\n0.773275 0.777509 0.448741 H\n0.777509 0.448741 0.773275 H\n0.273275 0.722491 0.551259 H\n0.226725 0.277509 0.051259 H\n0.277509 0.051259 0.226725 H\n0.051259 0.226725 0.277509 H\n0.328779 0.240261 0.535968 H\n0.828779 0.259739 0.464032 H\n0.671221 0.740261 0.964032 H\n0.259739 0.464032 0.828779 H\n0.964032 0.671221 0.740261 H\n0.464032 0.828779 0.259739 H\n0.240261 0.535968 0.328779 H\n0.535968 0.328779 0.240261 H\n0.740261 0.964032 0.671221 H\n0.759739 0.035968 0.171221 H\n0.194562 0.082625 0.516756 H\n0.035968 0.171221 0.759739 H\n0.248393 0.339426 0.516999 H\n0.748393 0.160574 0.483001 H\n0.751607 0.839426 0.983001 H\n0.160574 0.483001 0.748393 H\n0.983001 0.751607 0.839426 H\n0.483001 0.748393 0.160574 H\n0.339426 0.516999 0.248393 H\n0.516999 0.248393 0.339426 H\n0.839426 0.983001 0.751607 H\n0.660574 0.016999 0.251607 H\n0.016999 0.251607 0.660574 H\n0.251607 0.660574 0.016999 H\n0.578100 0.627772 0.358016 H\n0.078100 0.872228 0.641984 H\n0.421900 0.127772 0.141984 H\n0.872228 0.641984 0.078100 H\n0.141984 0.421900 0.127772 H\n0.641984 0.078100 0.872228 H\n0.627772 0.358016 0.578100 H\n0.358016 0.578100 0.627772 H\n0.127772 0.141984 0.421900 H\n0.372228 0.858016 0.921900 H\n0.858016 0.921900 0.372228 H\n0.921900 0.372228 0.858016 H\n0.483244 0.694562 0.417375 H\n0.983244 0.805438 0.582625 H\n0.516756 0.194562 0.082625 H\n0.805438 0.582625 0.983244 H\n0.082625 0.516756 0.194562 H\n0.582625 0.983244 0.805438 H\n0.694562 0.417375 0.483244 H\n0.417375 0.483244 0.694562 H\n0.016756 0.305438 0.917375 H\n0.917375 0.016756 0.305438 H\n0.305438 0.917375 0.016756 H\n0.171221 0.759739 0.035968 H\n0.653200 0.574818 0.854630 Se\n0.574818 0.854630 0.653200 Se\n0.846800 0.425182 0.354630 Se\n0.425182 0.354630 0.846800 Se\n0.346800 0.074818 0.645370 Se\n0.153200 0.925182 0.145370 Se\n0.925182 0.145370 0.153200 Se\n0.145370 0.153200 0.925182 Se\n0.072248 0.427752 0.572248 Se\n0.427752 0.572248 0.072248 Se\n0.572248 0.072248 0.427752 Se\n0.927752 0.927752 0.927752 Se\n0.645370 0.346800 0.074818 Se\n0.854630 0.653200 0.574818 Se\n0.354630 0.846800 0.425182 Se\n0.074818 0.645370 0.346800 Se\n0.395965 0.747425 0.833718 O\n0.895965 0.752575 0.166282 O\n0.604035 0.247425 0.666282 O\n0.752575 0.166282 0.895965 O\n0.666282 0.604035 0.247425 O\n0.166282 0.895965 0.752575 O\n0.747425 0.833718 0.395965 O\n0.833718 0.395965 0.747425 O\n0.247425 0.666282 0.604035 O\n0.252575 0.333718 0.104035 O\n0.333718 0.104035 0.252575 O\n0.104035 0.252575 0.333718 O\n0.316510 0.305769 0.490040 O\n0.816510 0.194231 0.509960 O\n0.683490 0.805769 0.009960 O\n0.194231 0.509960 0.816510 O\n0.009960 0.683490 0.805769 O\n0.509960 0.816510 0.194231 O\n0.305769 0.490040 0.316510 O\n0.490040 0.316510 0.305769 O\n0.805769 0.009960 0.683490 O\n0.694231 0.990040 0.183490 O\n0.990040 0.183490 0.694231 O\n0.183490 0.694231 0.990040 O\n0.529215 0.628466 0.423004 O\n0.029215 0.871534 0.576996 O\n0.470785 0.128466 0.076996 O\n0.871534 0.576996 0.029215 O\n0.076996 0.470785 0.128466 O\n0.576996 0.029215 0.871534 O\n0.628466 0.423004 0.529215 O\n0.423004 0.529215 0.628466 O\n0.128466 0.076996 0.470785 O\n0.371534 0.923004 0.970785 O\n0.923004 0.970785 0.371534 O\n0.970785 0.371534 0.923004 O\n",
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"formula_full": "Na12 As4 H72 Se16 O36",
"formula_reduced": "Na3AsH18Se4O9",
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{
"id": "mp-1074685",
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"structure_string": "Mg8 Si4\n1.0\n5.514389 0.000000 0.000000\n-1.549632 6.896958 0.000000\n-2.521413 -2.150399 6.257836\nMg Si\n8 4\ndirect\n0.285377 0.763969 0.079233 Mg\n0.274642 0.194289 0.432400 Mg\n0.788431 0.334140 0.928533 Mg\n0.313738 0.922477 0.724651 Mg\n0.341000 0.321055 0.048698 Mg\n0.909109 0.480074 0.575528 Mg\n0.753449 0.998602 0.567334 Mg\n0.858263 0.720865 0.256395 Mg\n0.708977 0.125310 0.218082 Si\n0.875749 0.949633 0.971466 Si\n0.373599 0.588731 0.405221 Si\n0.517556 0.600855 0.791986 Si\n",
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{
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"structure_string": "Li4 Cr3 Fe1 O8\n1.0\n5.112199 -2.939442 0.000000\n5.112199 2.939442 0.000000\n3.422062 0.000000 4.802540\nLi Cr Fe O\n4 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.742087 0.742087 0.742087 O\n0.760314 0.254928 0.760314 O\n0.239686 0.239686 0.745072 O\n0.745072 0.239686 0.239686 O\n0.254928 0.760314 0.760314 O\n0.760314 0.760314 0.254928 O\n0.239686 0.745072 0.239686 O\n0.257913 0.257913 0.257913 O\n",
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{
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