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{
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{
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{
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{
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{
"id": "mp-771707",
"created_at": "2022-09-04T14:44:49.553001Z",
"structure_string": "Li4 Sn2 B2 P2 O14\n1.0\n6.507074 0.000000 0.000000\n0.000000 5.178016 0.000000\n0.000000 0.419094 9.107281\nLi Sn B P O\n4 2 2 2 14\ndirect\n0.472078 0.758336 0.841401 Li\n0.027922 0.758336 0.841401 Li\n0.527922 0.241664 0.158599 Li\n0.972078 0.241664 0.158599 Li\n0.250000 0.222718 0.662554 Sn\n0.750000 0.777282 0.337446 Sn\n0.250000 0.266498 0.942406 B\n0.750000 0.733502 0.057594 B\n0.750000 0.275265 0.570305 P\n0.250000 0.724735 0.429695 P\n0.750000 0.709003 0.913794 O\n0.250000 0.027760 0.869234 O\n0.250000 0.478431 0.833355 O\n0.935707 0.192935 0.666245 O\n0.564293 0.192935 0.666245 O\n0.250000 0.850900 0.580564 O\n0.750000 0.574110 0.537301 O\n0.250000 0.425890 0.462699 O\n0.750000 0.149100 0.419436 O\n0.435707 0.807065 0.333755 O\n0.064293 0.807065 0.333755 O\n0.750000 0.521569 0.166645 O\n0.750000 0.972240 0.130766 O\n0.250000 0.290997 0.086206 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Ag6 C2 N2 Cl4 O20\n1.0\n4.865811 0.000000 0.000000\n0.000000 21.802933 0.000000\n-0.078252 0.000000 5.219808\nAg C N Cl O\n6 2 2 4 20\ndirect\n0.267363 0.241349 0.928217 Ag\n0.732637 0.741349 0.071783 Ag\n0.149300 0.133887 0.620115 Ag\n0.850700 0.633887 0.379885 Ag\n0.293012 0.365736 0.343911 Ag\n0.706988 0.865736 0.656089 Ag\n0.242057 0.231856 0.532904 C\n0.757943 0.731856 0.467096 C\n0.249064 0.257087 0.332783 N\n0.750936 0.757087 0.667217 N\n0.793199 0.379171 0.847161 Cl\n0.206801 0.879171 0.152839 Cl\n0.656486 0.105907 0.139177 Cl\n0.343514 0.605907 0.860823 Cl\n0.692132 0.438226 0.923519 O\n0.307868 0.938226 0.076481 O\n0.740478 0.368311 0.570196 O\n0.259522 0.868311 0.429804 O\n0.663865 0.330034 0.996772 O\n0.336135 0.830034 0.003228 O\n0.095406 0.374910 0.887283 O\n0.904594 0.874910 0.112717 O\n0.781554 0.048043 0.081093 O\n0.218446 0.548043 0.918907 O\n0.772570 0.155355 0.981737 O\n0.227430 0.655355 0.018263 O\n0.701853 0.121396 0.414961 O\n0.298147 0.621396 0.585039 O\n0.356467 0.104062 0.095227 O\n0.643533 0.604062 0.904773 O\n0.056908 0.006165 0.607838 O\n0.943092 0.506165 0.392162 O\n0.171587 0.481526 0.400300 O\n0.828413 0.981526 0.599700 O\n",
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{
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"created_at": "2022-09-04T14:44:49.552230Z",
"structure_string": "Ca3 H6 C3 O12\n1.0\n3.073796 -5.323972 0.000000\n3.073796 5.323972 0.000000\n0.000000 0.000000 7.577896\nCa H C O\n3 6 3 12\ndirect\n0.723508 0.724665 0.664297 Ca\n0.275335 0.998843 0.997630 Ca\n0.001157 0.276492 0.330964 Ca\n0.545522 0.448591 0.245731 H\n0.551409 0.096930 0.579064 H\n0.903070 0.454478 0.912398 H\n0.458543 0.908049 0.417720 H\n0.091951 0.550494 0.751053 H\n0.449506 0.541457 0.084387 H\n0.255438 0.278828 0.703065 C\n0.721172 0.976610 0.036399 C\n0.023390 0.744562 0.369732 C\n0.812425 0.538237 0.402167 O\n0.461763 0.274188 0.735500 O\n0.725812 0.187575 0.068834 O\n0.189525 0.734303 0.266832 O\n0.265697 0.455221 0.600166 O\n0.544779 0.810475 0.933499 O\n0.397420 0.398134 0.167597 O\n0.601866 0.999287 0.500931 O\n0.000713 0.602580 0.834264 O\n0.877817 0.929084 0.115054 O\n0.070916 0.948734 0.448388 O\n0.051266 0.122183 0.781721 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "C-Ca-H-O",
"density": 2.372131857825012,
"density_atomic": 0.0967657799646999,
"volume": 248.02156308516487,
"volume_molar": 6.223419851725344,
"formula_full": "Ca3 H6 C3 O12",
"formula_reduced": "CaH2CO4",
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},
{
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"created_at": "2022-09-04T14:44:30.563549Z",
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"elements": [
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],
"chemical_system": "Mo-O-P",
"density": 2.504141152074054,
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"formula_full": "Mo8 P6 O49",
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"updated_at": "2021-11-28T01:36:43.972000Z",
"spacegroup": 2
}
]
}