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{
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{
"id": "mp-685055",
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"structure_string": "Cr1 Te2\n1.0\n1.923392 -3.331412 0.000000\n1.923392 3.331412 0.000000\n0.000000 0.000000 6.167712\nCr Te\n1 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.248261 Te\n0.333333 0.666667 0.751739 Te\n",
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"formula_full": "Cr1 Te2",
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{
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"structure_string": "Cr1 Te1 W2 O12\n1.0\n5.131726 0.000000 0.000000\n-0.013801 5.333286 0.000000\n-0.004900 -0.347763 7.406778\nCr Te W O\n1 1 2 12\ndirect\n0.001582 0.056273 0.968253 Cr\n0.499767 0.497175 0.503844 Te\n0.987972 0.997840 0.469199 W\n0.510300 0.554183 0.002836 W\n0.300562 0.197181 0.447614 O\n0.101998 0.009927 0.757561 O\n0.294638 0.811394 0.049273 O\n0.198939 0.698756 0.451954 O\n0.808341 0.714178 0.951585 O\n0.393492 0.490861 0.753704 O\n0.598907 0.491454 0.250964 O\n0.192448 0.292483 0.043915 O\n0.803612 0.298206 0.555648 O\n0.716672 0.199873 0.944161 O\n0.893712 0.999471 0.239251 O\n0.697057 0.800341 0.555441 O\n",
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"elements": [
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"chemical_system": "Cr-O-Te-W",
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"formula_full": "Cr1 Te1 W2 O12",
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{
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"structure_string": "Cr1 Te1\n1.0\n0.000000 2.860465 2.860465\n2.860465 0.000000 2.860465\n2.860465 2.860465 0.000000\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Te\n",
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"elements": [
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"density": 6.37097775568267,
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"volume": 46.81013679462209,
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"formula_full": "Cr1 Te1",
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{
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"created_at": "2022-09-04T14:47:26.761765Z",
"structure_string": "Cr1 Te1\n1.0\n0.000000 3.121830 3.121830\n3.121830 0.000000 3.121830\n3.121830 3.121830 0.000000\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Te\n",
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"elements": [
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"density": 4.9010400794701905,
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"volume": 60.84960241566498,
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"formula_full": "Cr1 Te1",
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"energy": -12.9713547,
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"updated_at": "2021-11-28T01:38:14.313000Z",
"spacegroup": 216
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{
"id": "mp-1093624",
"created_at": "2022-09-04T14:41:15.315053Z",
"structure_string": "Cr1 Tc2 Ge1\n1.0\n-4.841186 4.852700 7.673092\n4.841186 -4.852700 7.673092\n4.841186 4.852700 -7.673092\nCr Tc Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.740538 0.000000 0.740538 Tc\n0.259462 0.000000 0.259462 Tc\n0.500000 0.000000 0.500000 Ge\n",
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{
"id": "mp-1183695",
"created_at": "2022-09-04T14:39:26.620740Z",
"structure_string": "Cr1 Tc1 O3\n1.0\n3.892618 0.000000 0.000000\n0.000000 3.892618 0.000000\n0.000000 0.000000 3.892618\nCr Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Cr1 Tc1 O3",
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{
"id": "mp-1093974",
"created_at": "2022-09-04T14:44:57.167809Z",
"structure_string": "Cr1 Tc1 Ge2\n1.0\n-4.794857 5.067200 7.417911\n4.794857 -5.067200 7.417911\n4.794857 5.067200 -7.417911\nCr Tc Ge\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.254238 0.254238 Ge\n0.000000 0.745762 0.745762 Ge\n",
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{
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"created_at": "2022-09-04T14:43:02.970600Z",
"structure_string": "Cr1 Sn3 P6 O24\n1.0\n7.830640 -4.351966 0.000000\n7.830640 4.351966 0.000000\n5.411986 0.000000 7.139253\nCr Sn P O\n1 3 6 24\ndirect\n0.856622 0.856622 0.856622 Cr\n0.143160 0.143160 0.143160 Sn\n0.358164 0.358164 0.358164 Sn\n0.643086 0.643086 0.643086 Sn\n0.035528 0.468020 0.749849 P\n0.468020 0.749849 0.035528 P\n0.749849 0.035528 0.468020 P\n0.244211 0.960725 0.542714 P\n0.542714 0.244211 0.960725 P\n0.960725 0.542714 0.244211 P\n0.131036 0.524346 0.263115 O\n0.263115 0.131036 0.524346 O\n0.059847 0.290816 0.920055 O\n0.524345 0.263115 0.131036 O\n0.214406 0.454630 0.577337 O\n0.993520 0.643259 0.786861 O\n0.290816 0.920055 0.059847 O\n0.454630 0.577337 0.214406 O\n0.577337 0.214406 0.454630 O\n0.216802 0.986884 0.375453 O\n0.064387 0.928801 0.721355 O\n0.375453 0.216802 0.986884 O\n0.643259 0.786861 0.993520 O\n0.920055 0.059847 0.290816 O\n0.786861 0.993520 0.643259 O\n0.409083 0.779392 0.574756 O\n0.574756 0.409083 0.779392 O\n0.721355 0.064387 0.928801 O\n0.986884 0.375453 0.216802 O\n0.779392 0.574756 0.409083 O\n0.490026 0.720951 0.870803 O\n0.928801 0.721355 0.064387 O\n0.720951 0.870803 0.490026 O\n0.870803 0.490026 0.720951 O\n",
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"formula_full": "Cr1 Sn3 P6 O24",
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{
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{
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]
}