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{
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{
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{
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"structure_string": "Mn3 Fe1 P6 O24\n1.0\n8.785224 -0.012685 -0.008838\n4.645869 7.456288 -0.008837\n4.645869 2.574772 6.997632\nMn Fe P O\n3 1 6 24\ndirect\n0.144914 0.144914 0.144914 Mn\n0.355351 0.355351 0.355351 Mn\n0.645801 0.645801 0.645801 Mn\n0.857366 0.857366 0.857366 Fe\n0.035536 0.750424 0.463208 P\n0.463208 0.035536 0.750424 P\n0.750424 0.463208 0.035536 P\n0.254488 0.531920 0.966087 P\n0.531920 0.966087 0.254488 P\n0.966087 0.254488 0.531920 P\n0.139778 0.278056 0.508808 O\n0.278056 0.508808 0.139778 O\n0.060375 0.926141 0.278021 O\n0.508808 0.139778 0.278056 O\n0.221026 0.576311 0.433454 O\n0.013410 0.772747 0.634264 O\n0.278021 0.060375 0.926141 O\n0.433454 0.221026 0.576311 O\n0.576311 0.433454 0.221026 O\n0.228833 0.359048 0.988446 O\n0.081704 0.713333 0.940683 O\n0.359048 0.988446 0.228833 O\n0.634264 0.013410 0.772747 O\n0.926141 0.278021 0.060375 O\n0.772747 0.634264 0.013410 O\n0.430158 0.555952 0.781533 O\n0.555952 0.781533 0.430158 O\n0.713333 0.940683 0.081704 O\n0.988446 0.228833 0.359048 O\n0.781533 0.430158 0.555952 O\n0.484872 0.862252 0.725697 O\n0.940683 0.081704 0.713333 O\n0.725697 0.484872 0.862252 O\n0.862252 0.725697 0.484872 O\n",
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"formula_full": "Mn3 Fe1 P6 O24",
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{
"id": "mp-1207994",
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"structure_string": "U2 N1 Cl2\n1.0\n3.442110 0.000000 0.000000\n0.000000 3.442110 0.000000\n0.000000 0.000000 12.996119\nU N Cl\n2 1 2\ndirect\n0.500000 0.500000 0.153172 U\n0.500000 0.500000 0.846828 U\n0.500000 0.500000 0.000000 N\n0.500000 0.500000 0.656945 Cl\n0.500000 0.500000 0.343055 Cl\n",
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{
"id": "mp-684691",
"created_at": "2022-09-04T14:39:38.116409Z",
"structure_string": "Tm23 Se32\n1.0\n8.038914 0.000000 0.000000\n0.012292 8.057974 0.000000\n0.010129 0.039202 22.760883\nTm Se\n23 32\ndirect\n0.992285 0.007427 0.999045 Tm\n0.999416 0.000286 0.500285 Tm\n0.248964 0.248176 0.122778 Tm\n0.244044 0.241300 0.624772 Tm\n0.245887 0.248350 0.878902 Tm\n0.752045 0.247505 0.122673 Tm\n0.756351 0.241628 0.626215 Tm\n0.999558 0.488925 0.253881 Tm\n0.999516 0.499779 0.500348 Tm\n0.997638 0.509019 0.747439 Tm\n0.507691 0.492259 0.998832 Tm\n0.500118 0.494660 0.254858 Tm\n0.500201 0.499563 0.500342 Tm\n0.501928 0.504093 0.745557 Tm\n0.243898 0.757674 0.375411 Tm\n0.247846 0.752995 0.876316 Tm\n0.751197 0.750357 0.121476 Tm\n0.756182 0.757604 0.375226 Tm\n0.248242 0.751210 0.120925 Tm\n0.752527 0.754621 0.877544 Tm\n0.500778 0.006745 0.253334 Tm\n0.500377 0.000072 0.500275 Tm\n0.503146 0.996142 0.748050 Tm\n0.999667 0.995460 0.378542 Se\n0.499389 0.998480 0.375887 Se\n0.000686 0.000627 0.875264 Se\n0.496706 0.999356 0.871733 Se\n0.748165 0.249924 0.248573 Se\n0.251536 0.249439 0.248838 Se\n0.748485 0.251256 0.499000 Se\n0.746515 0.255989 0.749886 Se\n0.749350 0.250716 0.002799 Se\n0.251294 0.251134 0.498446 Se\n0.250412 0.252769 0.751159 Se\n0.249435 0.250110 0.000569 Se\n0.000920 0.502921 0.376124 Se\n0.002216 0.503564 0.871378 Se\n0.500662 0.509970 0.376365 Se\n0.499673 0.499781 0.874525 Se\n0.499557 0.500528 0.125448 Se\n0.000825 0.500179 0.127331 Se\n0.498594 0.489602 0.623226 Se\n0.000537 0.495465 0.623956 Se\n0.749764 0.750323 0.999916 Se\n0.749807 0.748112 0.248860 Se\n0.251131 0.748852 0.000283 Se\n0.250691 0.747715 0.248604 Se\n0.748439 0.748606 0.501727 Se\n0.748627 0.750993 0.751752 Se\n0.251437 0.748663 0.501533 Se\n0.253855 0.748711 0.750264 Se\n0.499514 0.998126 0.127001 Se\n0.500245 0.001095 0.624196 Se\n0.000579 0.998038 0.125832 Se\n0.001451 0.003103 0.621498 Se\n",
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"spacegroup": 1
},
{
"id": "mp-1219217",
"created_at": "2022-09-04T14:39:38.901735Z",
"structure_string": "Si1 Pd4\n1.0\n10.557182 -1.437350 0.000000\n10.557182 1.437350 0.000000\n10.361488 0.000000 2.481859\nSi Pd\n1 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.609349 0.609349 0.609349 Pd\n0.202236 0.202236 0.202236 Pd\n0.797764 0.797764 0.797764 Pd\n0.390651 0.390651 0.390651 Pd\n",
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"density": 10.003752270016381,
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"formula_full": "Si1 Pd4",
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{
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"structure_string": "Nd12 Cu12 O30\n1.0\n1.856525 6.888462 0.000000\n-1.856525 6.888462 0.000000\n0.000000 6.082002 26.604947\nNd Cu O\n12 12 30\ndirect\n0.574797 0.118355 0.635544 Nd\n0.095478 0.657925 0.401845 Nd\n0.425203 0.881645 0.364456 Nd\n0.881645 0.425203 0.864456 Nd\n0.118355 0.574797 0.135544 Nd\n0.884622 0.391698 0.731580 Nd\n0.115378 0.608302 0.268420 Nd\n0.904522 0.342075 0.598155 Nd\n0.608302 0.115378 0.768420 Nd\n0.342075 0.904522 0.098155 Nd\n0.391698 0.884622 0.231580 Nd\n0.657925 0.095478 0.901845 Nd\n0.248443 0.739465 0.680910 Cu\n0.261045 0.723515 0.538802 Cu\n0.276485 0.738955 0.961198 Cu\n0.291647 0.081145 0.469862 Cu\n0.918855 0.708353 0.030138 Cu\n0.260535 0.751557 0.819090 Cu\n0.723515 0.261045 0.038802 Cu\n0.738955 0.276485 0.461198 Cu\n0.751557 0.260535 0.319090 Cu\n0.708353 0.918855 0.530138 Cu\n0.081145 0.291647 0.969862 Cu\n0.739465 0.248443 0.180910 Cu\n0.251047 0.758345 0.319655 O\n0.386961 0.957026 0.665054 O\n0.758345 0.251047 0.819655 O\n0.279569 0.814754 0.461791 O\n0.746197 0.253803 0.250000 O\n0.719426 0.258958 0.110686 O\n0.879007 0.457899 0.038762 O\n0.748953 0.241655 0.680345 O\n0.002372 0.584104 0.589904 O\n0.043838 0.585242 0.709116 O\n0.241655 0.748953 0.180345 O\n0.042974 0.613039 0.834946 O\n0.258958 0.719426 0.610686 O\n0.280574 0.741042 0.889314 O\n0.414758 0.956162 0.790884 O\n0.185246 0.720431 0.038209 O\n0.997628 0.415896 0.410096 O\n0.253803 0.746197 0.750000 O\n0.584104 0.002372 0.089904 O\n0.720431 0.185246 0.538209 O\n0.814754 0.279569 0.961791 O\n0.585242 0.043838 0.209116 O\n0.957026 0.386961 0.165055 O\n0.457899 0.879007 0.538762 O\n0.542101 0.120993 0.461238 O\n0.120993 0.542101 0.961238 O\n0.956162 0.414758 0.290884 O\n0.741042 0.280574 0.389314 O\n0.415896 0.997628 0.910096 O\n0.613039 0.042974 0.334946 O\n",
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"formula_full": "Nd12 Cu12 O30",
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{
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"structure_string": "Bi4 Pb1 Cl2 O6\n1.0\n-1.991677 1.991677 15.791770\n1.991677 -1.991677 15.791770\n1.991677 1.991677 -15.791770\nBi Pb Cl O\n4 1 2 6\ndirect\n0.289021 0.289021 0.000000 Bi\n0.710979 0.710979 0.000000 Bi\n0.585529 0.585529 0.000000 Bi\n0.414471 0.414471 0.000000 Bi\n0.000000 0.000000 0.000000 Pb\n0.834142 0.834142 0.000000 Cl\n0.165858 0.165858 0.000000 Cl\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.554495 0.054495 0.500000 O\n0.054495 0.554495 0.500000 O\n0.445505 0.945505 0.500000 O\n0.945505 0.445505 0.500000 O\n",
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"formula_full": "Bi4 Pb1 Cl2 O6",
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{
"id": "mp-1075139",
"created_at": "2022-09-04T14:39:38.129256Z",
"structure_string": "Mg6 Si8\n1.0\n6.512882 0.640930 2.053381\n2.851843 6.832022 -1.597355\n0.022361 0.324880 6.071485\nMg Si\n6 8\ndirect\n0.507284 0.604461 0.196327 Mg\n0.753478 0.551736 0.583590 Mg\n0.154564 0.121030 0.475771 Mg\n0.632611 0.210291 0.342543 Mg\n0.043372 0.572772 0.912644 Mg\n0.249963 0.869442 0.906932 Mg\n0.312420 0.227455 0.029832 Si\n0.884344 0.975438 0.787039 Si\n0.590652 0.892815 0.023457 Si\n0.606248 0.878165 0.425720 Si\n0.943702 0.268283 0.000564 Si\n0.194987 0.478083 0.414052 Si\n0.617801 0.300786 0.801295 Si\n0.008805 0.802604 0.353755 Si\n",
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{
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"structure_string": "Ca1 Dy1 Fe4 O12\n1.0\n0.000000 -3.756142 -3.796208\n0.000000 -3.756142 3.796208\n-7.597561 0.000000 0.000000\nCa Dy Fe O\n1 1 4 12\ndirect\n0.519507 0.480493 0.500000 Ca\n0.976668 0.023332 0.000000 Dy\n0.494636 0.995214 0.251209 Fe\n0.494636 0.995214 0.748791 Fe\n0.004786 0.505364 0.748791 Fe\n0.004786 0.505364 0.251209 Fe\n0.280104 0.279160 0.251454 O\n0.720840 0.719896 0.251454 O\n0.720840 0.719896 0.748546 O\n0.280104 0.279160 0.748546 O\n0.207302 0.792698 0.204273 O\n0.780356 0.219644 0.268181 O\n0.780356 0.219644 0.731819 O\n0.207302 0.792698 0.795727 O\n0.546369 0.019753 0.000000 O\n0.469349 0.962284 0.500000 O\n0.980247 0.453631 0.000000 O\n0.037716 0.530651 0.500000 O\n",
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{
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}