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{
"id": "mp-28136",
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"structure_string": "Hg8 I4 O4\n1.0\n3.589263 8.968347 0.000000\n-3.589263 8.968347 0.000000\n0.000000 1.297147 6.917602\nHg I O\n8 4 4\ndirect\n0.851482 0.658252 0.712643 Hg\n0.341748 0.148518 0.787357 Hg\n0.148518 0.341748 0.287357 Hg\n0.658252 0.851482 0.212643 Hg\n0.906474 0.241889 0.722348 Hg\n0.758111 0.093526 0.777652 Hg\n0.093526 0.758111 0.277652 Hg\n0.241889 0.906474 0.222348 Hg\n0.217592 0.550192 0.824410 I\n0.449808 0.782408 0.675590 I\n0.782408 0.449808 0.175590 I\n0.550192 0.217592 0.324410 I\n0.053410 0.340642 0.658477 O\n0.659358 0.946590 0.841523 O\n0.946590 0.659358 0.341523 O\n0.340642 0.053410 0.158477 O\n",
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{
"id": "mp-7449",
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"structure_string": "Cs4 Se6\n1.0\n4.063210 -5.879532 0.000000\n4.063210 5.879532 0.000000\n0.000000 0.000000 8.537902\nCs Se\n4 6\ndirect\n0.582531 0.417469 0.178696 Cs\n0.417469 0.582531 0.678696 Cs\n0.097750 0.902250 0.459787 Cs\n0.902250 0.097750 0.959787 Cs\n0.073473 0.399251 0.334152 Se\n0.926527 0.600749 0.834152 Se\n0.600749 0.926527 0.334152 Se\n0.399251 0.073473 0.834152 Se\n0.207526 0.792474 0.992213 Se\n0.792474 0.207526 0.492213 Se\n",
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"formula_full": "Cs4 Se6",
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},
{
"id": "mp-996977",
"created_at": "2022-09-04T14:40:24.015680Z",
"structure_string": "Ag2 Au2 O4\n1.0\n-2.398651 2.398651 5.432512\n2.398651 -2.398651 5.432512\n2.398651 2.398651 -5.432512\nAg Au O\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.594871 0.625000 0.469871 O\n0.375000 0.405129 0.530129 O\n0.875000 0.844871 0.469871 O\n0.155129 0.125000 0.530129 O\n",
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"formula_full": "Ag2 Au2 O4",
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"spacegroup": 98
},
{
"id": "mp-5938",
"created_at": "2022-09-04T14:44:13.333600Z",
"structure_string": "Sr1 Cu2 O3\n1.0\n1.987480 -5.791010 0.000000\n1.987480 5.791010 0.000000\n0.000000 0.000000 3.559786\nSr Cu O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Sr\n0.665078 0.334922 0.000000 Cu\n0.334922 0.665078 0.000000 Cu\n0.170232 0.829768 0.000000 O\n0.829768 0.170232 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"density": 5.323718264637621,
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"volume": 81.94283179709053,
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"formula_full": "Sr1 Cu2 O3",
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},
{
"id": "mp-1225355",
"created_at": "2022-09-04T14:42:59.739017Z",
"structure_string": "Eu2 Zn2 Pb2\n1.0\n2.440219 5.752059 0.000000\n-2.440219 5.752059 0.000000\n0.000000 5.132530 5.845073\nEu Zn Pb\n2 2 2\ndirect\n0.461153 0.461153 0.787085 Eu\n0.538847 0.538847 0.212915 Eu\n0.855226 0.855226 0.598584 Zn\n0.144774 0.144774 0.401416 Zn\n0.175835 0.175835 0.763907 Pb\n0.824165 0.824165 0.236093 Pb\n",
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"volume": 164.08620529358097,
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"formula_full": "Eu2 Zn2 Pb2",
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"updated_at": "2021-11-28T01:36:05.038000Z",
"spacegroup": 12
},
{
"id": "mp-1217345",
"created_at": "2022-09-04T14:43:50.196057Z",
"structure_string": "Th1 Zr3\n1.0\n3.283852 0.000000 0.000000\n0.000000 3.283852 0.000000\n0.000000 0.000000 9.449069\nTh Zr\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.735443 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.264557 Zr\n",
"nsites": 4,
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"density": 8.241277137884918,
"density_atomic": 0.03925579885333032,
"volume": 101.89577379242799,
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"formula_full": "Th1 Zr3",
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"formula_anonymous": "AB3",
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},
{
"id": "mp-27666",
"created_at": "2022-09-04T14:43:24.667826Z",
"structure_string": "Ir2 Cl6\n1.0\n5.318914 3.072115 0.000000\n-5.318914 3.072115 0.000000\n0.000000 1.984753 6.205517\nIr Cl\n2 6\ndirect\n0.166678 0.833322 0.000000 Ir\n0.833322 0.166678 0.000000 Ir\n0.432623 0.078631 0.208419 Cl\n0.921369 0.567377 0.791581 Cl\n0.213335 0.213335 0.791309 Cl\n0.786665 0.786665 0.208691 Cl\n0.078631 0.432623 0.208419 Cl\n0.567377 0.921369 0.791581 Cl\n",
"nsites": 8,
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"elements": [
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"density": 4.889512785288925,
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"volume": 202.80021103160465,
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"formula_full": "Ir2 Cl6",
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"spacegroup": 12
},
{
"id": "mp-1187044",
"created_at": "2022-09-04T14:44:18.348389Z",
"structure_string": "Sn6 P2\n1.0\n3.208462 -5.557219 0.000000\n3.208462 5.557219 0.000000\n0.000000 0.000000 5.552769\nSn P\n6 2\ndirect\n0.830221 0.169779 0.750000 Sn\n0.339559 0.169779 0.750000 Sn\n0.830221 0.660441 0.750000 Sn\n0.169779 0.830221 0.250000 Sn\n0.660441 0.830221 0.250000 Sn\n0.169779 0.339559 0.250000 Sn\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n",
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"volume": 198.0131416953928,
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"formula_full": "Sn6 P2",
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"spacegroup": 194
},
{
"id": "mp-1222123",
"created_at": "2022-09-04T14:42:07.272985Z",
"structure_string": "Mg2 Zn1 O3\n1.0\n1.516499 -2.626654 0.000000\n1.516499 2.626654 0.000000\n0.000000 0.000000 7.403316\nMg Zn O\n2 1 3\ndirect\n0.333333 0.666667 0.665800 Mg\n0.666667 0.333333 0.334200 Mg\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.172619 O\n0.666667 0.333333 0.827381 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "mp-1022053",
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"structure_string": "Na2 Mg12 Co2\n1.0\n4.957277 0.000000 0.000000\n0.000000 6.299159 0.000000\n0.000000 0.000000 10.797305\nNa Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.166429 Na\n0.500000 0.000000 0.666429 Na\n0.000000 0.241053 0.076831 Mg\n0.000000 0.758947 0.076831 Mg\n0.000000 0.500000 0.834707 Mg\n0.500000 0.230127 0.905637 Mg\n0.500000 0.769873 0.905637 Mg\n0.500000 0.500000 0.663702 Mg\n0.000000 0.741053 0.576831 Mg\n0.000000 0.258947 0.576831 Mg\n0.000000 0.000000 0.334707 Mg\n0.500000 0.730127 0.405637 Mg\n0.500000 0.269873 0.405637 Mg\n0.500000 0.000000 0.163702 Mg\n0.000000 0.500000 0.370225 Co\n0.000000 0.000000 0.870225 Co\n",
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{
"id": "mp-1110810",
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{
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}
]
}