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{
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{
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{
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{
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"structure_string": "Ni3 S2\n1.0\n2.035245 2.658901 2.701916\n-2.923297 4.467816 4.481970\n-1.035609 -3.310365 0.611969\nNi S\n3 2\ndirect\n0.732781 0.882996 0.749121 Ni\n0.016341 0.117004 0.749121 Ni\n0.261808 0.500000 0.523617 Ni\n0.524849 0.740330 0.989070 S\n0.464221 0.259670 0.989070 S\n",
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{
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"created_at": "2022-09-04T14:48:24.927745Z",
"structure_string": "La1 Zn3 Ni2\n1.0\n2.628756 -4.553139 0.000000\n2.628756 4.553139 0.000000\n0.000000 0.000000 4.113232\nLa Zn Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
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{
"id": "mp-676072",
"created_at": "2022-09-04T14:48:24.928002Z",
"structure_string": "Ce4 Pb2 Se8\n1.0\n-4.549200 4.549200 4.525082\n4.549200 -4.549200 4.525082\n4.549200 4.549200 -4.525082\nCe Pb Se\n4 2 8\ndirect\n0.625000 0.006521 0.881521 Ce\n0.993479 0.875000 0.618479 Ce\n0.125000 0.743479 0.118479 Ce\n0.256521 0.375000 0.381521 Ce\n0.500000 0.500000 0.000000 Pb\n0.750000 0.250000 0.500000 Pb\n0.363175 0.115992 0.095756 Se\n0.365992 0.113175 0.595756 Se\n0.886825 0.482580 0.252817 Se\n0.517420 0.770237 0.404244 Se\n0.732580 0.636825 0.752817 Se\n0.020237 0.267420 0.904244 Se\n0.884008 0.979763 0.247183 Se\n0.229763 0.634008 0.747183 Se\n",
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],
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"density": 7.1217252692741715,
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"volume": 374.59028161636996,
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{
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"structure_string": "Li1 Tl3\n1.0\n4.784933 0.000000 0.000000\n0.000000 4.784933 0.000000\n0.000000 0.000000 4.784933\nLi Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.782556 0.000000 0.000000\n0.056694 5.859391 0.000000\n2.857584 0.111099 8.334019\nLi Mn Co O\n9 2 5 16\ndirect\n0.622591 0.250810 0.241237 Li\n0.375653 0.749700 0.760550 Li\n0.249792 0.000509 0.495959 Li\n0.000851 0.499582 0.002373 Li\n0.866438 0.749684 0.755656 Li\n0.497102 0.498988 0.998263 Li\n0.134169 0.249516 0.244260 Li\n0.751738 0.003094 0.501183 Li\n0.496331 0.000060 0.003159 Li\n0.002263 0.998005 0.001233 Mn\n0.623294 0.753729 0.245368 Mn\n0.754545 0.499448 0.500353 Co\n0.251429 0.496383 0.500997 Co\n0.375627 0.245639 0.758833 Co\n0.128342 0.751859 0.246590 Co\n0.864194 0.245457 0.758632 Co\n0.767900 0.235201 0.995550 O\n0.514400 0.741580 0.481977 O\n0.375615 0.972961 0.251296 O\n0.127055 0.477673 0.742614 O\n0.016009 0.732884 0.483109 O\n0.625156 0.495025 0.745592 O\n0.235118 0.234308 0.996597 O\n0.878877 0.979177 0.238711 O\n0.493641 0.270164 0.500029 O\n0.229227 0.764661 0.015618 O\n0.115125 0.997649 0.770178 O\n0.872617 0.527902 0.254241 O\n0.754950 0.764369 0.016015 O\n0.378560 0.528217 0.247779 O\n0.994307 0.263092 0.502180 O\n0.627087 0.022676 0.743867 O\n",
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{
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"structure_string": "In4 P8 H16 N4 O32\n1.0\n8.442921 0.000000 0.000000\n0.000000 9.796401 0.000000\n0.000000 4.363840 8.799344\nIn P H N O\n4 8 16 4 32\ndirect\n0.628918 0.491542 0.742014 In\n0.128918 0.008458 0.257986 In\n0.371082 0.508458 0.257986 In\n0.871082 0.991542 0.742014 In\n0.676246 0.327526 0.507635 P\n0.176246 0.172474 0.492365 P\n0.323754 0.672474 0.492365 P\n0.823754 0.827526 0.507635 P\n0.564290 0.729886 0.907024 P\n0.064290 0.770114 0.092976 P\n0.435710 0.270114 0.092976 P\n0.935710 0.229886 0.907024 P\n0.492450 0.043947 0.814362 H\n0.992450 0.456053 0.185638 H\n0.507550 0.956053 0.185638 H\n0.007550 0.543947 0.814362 H\n0.382617 0.087015 0.938048 H\n0.882617 0.412985 0.061952 H\n0.617383 0.912985 0.061952 H\n0.117383 0.587015 0.938048 H\n0.353581 0.183731 0.752314 H\n0.853581 0.316269 0.247686 H\n0.646419 0.816269 0.247686 H\n0.146419 0.683731 0.752314 H\n0.299930 0.999979 0.841438 H\n0.799930 0.500021 0.158562 H\n0.700070 0.000021 0.158562 H\n0.200070 0.499979 0.841438 H\n0.383164 0.078115 0.837203 N\n0.883164 0.421885 0.162797 N\n0.616836 0.921885 0.162797 N\n0.116836 0.578115 0.837203 N\n0.583602 0.349876 0.630957 O\n0.083602 0.150124 0.369043 O\n0.416398 0.650124 0.369043 O\n0.916398 0.849876 0.630957 O\n0.582141 0.382664 0.358554 O\n0.082141 0.117336 0.641446 O\n0.417859 0.617336 0.641446 O\n0.917859 0.882664 0.358554 O\n0.725872 0.158569 0.559758 O\n0.225872 0.341431 0.440242 O\n0.274128 0.841431 0.440242 O\n0.774128 0.658569 0.559758 O\n0.844782 0.400555 0.476773 O\n0.344782 0.099445 0.523227 O\n0.155218 0.599445 0.523227 O\n0.655218 0.900555 0.476773 O\n0.651504 0.884680 0.854276 O\n0.151504 0.615320 0.145724 O\n0.348496 0.115320 0.145724 O\n0.848496 0.384680 0.854276 O\n0.525229 0.674444 0.078656 O\n0.025229 0.825556 0.921344 O\n0.474771 0.325556 0.921344 O\n0.974771 0.174444 0.078656 O\n0.662917 0.615530 0.876588 O\n0.162917 0.884470 0.123412 O\n0.337083 0.384470 0.123412 O\n0.837083 0.115530 0.876588 O\n0.391761 0.751861 0.845309 O\n0.891761 0.748139 0.154691 O\n0.608239 0.248139 0.154691 O\n0.108239 0.251861 0.845309 O\n",
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{
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"structure_string": "Ag3 Bi3 Te6\n1.0\n2.211399 -3.830256 0.000000\n2.211399 3.830256 0.000000\n0.000000 0.000000 21.394253\nAg Bi Te\n3 3 6\ndirect\n0.666667 0.333333 0.361739 Ag\n0.333333 0.666667 0.638261 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.189079 Bi\n0.666667 0.333333 0.810921 Bi\n0.000000 0.000000 0.000000 Bi\n0.666667 0.333333 0.087825 Te\n0.333333 0.666667 0.912175 Te\n0.666667 0.333333 0.579824 Te\n0.333333 0.666667 0.420176 Te\n0.000000 0.000000 0.271779 Te\n0.000000 0.000000 0.728221 Te\n",
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{
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"nelements": 3,
"elements": [
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],
"chemical_system": "O-P-V",
"density": 2.97905658762889,
"density_atomic": 0.07664723383774426,
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"formula_full": "V16 P24 O84",
"formula_reduced": "V4(P2O7)3",
"formula_anonymous": "A4B6C21",
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"formation_energy": null,
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"energy_uncorrected": -923.59855588,
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"updated_at": "2021-11-28T01:39:18.686000Z",
"spacegroup": 62
},
{
"id": "mp-1183412",
"created_at": "2022-09-04T14:48:25.009999Z",
"structure_string": "Be1 Al3\n1.0\n-1.942191 1.942191 3.851893\n1.942191 -1.942191 3.851893\n1.942191 1.942191 -3.851893\nBe Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
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"elements": [
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"volume": 58.1189929451344,
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"formula_full": "Be1 Al3",
"formula_reduced": "BeAl3",
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"updated_at": "2021-11-28T01:39:37.225000Z",
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}
]
}