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{
"id": "jvasp-40047",
"created_at": "2022-09-04T14:37:52.168282Z",
"updated_at": "2022-09-04T14:37:52.168296Z",
"structure_string": "K1 Tl2 Bi1\n1.0\n0.000001 4.043611 4.043615\n4.043619 0.000001 4.043615\n4.043618 4.043610 0.000002\nK Tl Bi\n1 2 1\ndirect\n0.749999 0.749999 0.750001 K\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500001 Tl\n0.249999 0.249999 0.249999 Bi\n",
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{
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"structure_string": "Sr2 Ge2\n1.0\n4.207644 0.000000 -0.000000\n-0.000000 4.425836 -1.873188\n0.000000 0.009939 6.188602\nSr Ge\n2 2\ndirect\n0.749999 0.136921 0.273844 Sr\n0.250000 0.863080 0.726156 Sr\n0.749999 0.427592 0.855182 Ge\n0.250000 0.572409 0.144818 Ge\n",
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{
"id": "jvasp-38087",
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"structure_string": "Rb2 Tl1 In1 Cl6\n1.0\n-0.000000 5.497073 5.497073\n5.497073 -0.000000 5.497073\n5.497073 5.497073 0.000000\nRb Tl In Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.230254 0.769746 0.769746 Cl\n0.230254 0.769746 0.230254 Cl\n0.769746 0.230254 0.769746 Cl\n0.769746 0.769746 0.230254 Cl\n0.230254 0.230254 0.769746 Cl\n0.769746 0.230254 0.230254 Cl\n",
"nsites": 10,
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"volume": 332.21903217170393,
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"formula_full": "Rb2 Tl1 In1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-2748",
"created_at": "2022-09-04T14:37:50.397986Z",
"updated_at": "2022-09-04T14:37:50.397998Z",
"structure_string": "Zn1 Pt1 F6\n1.0\n4.439987 0.014124 3.182475\n1.642092 4.125192 3.182475\n0.020753 0.014124 5.462709\nZn Pt F\n1 1 6\ndirect\n0.500000 0.499999 0.500000 Zn\n0.000000 0.000000 0.000000 Pt\n0.402634 0.085939 0.757974 F\n0.085940 0.757973 0.402634 F\n0.242026 0.597365 0.914060 F\n0.914060 0.242025 0.597366 F\n0.597366 0.914058 0.242025 F\n0.757975 0.402633 0.085939 F\n",
"nsites": 8,
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"volume": 99.52990057150794,
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"formula_full": "Zn1 Pt1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-35220",
"created_at": "2022-09-04T14:37:34.910411Z",
"updated_at": "2022-09-04T14:37:34.910423Z",
"structure_string": "Cd5 S4 Cl2\n1.0\n0.000000 4.257796 0.000000\n4.351744 -2.128898 -5.741079\n-8.683157 0.000000 -4.444474\nCd S Cl\n5 4 2\ndirect\n0.555390 0.110777 0.924623 Cd\n0.830103 0.660203 0.988606 Cd\n0.856849 0.713699 0.615444 Cd\n0.451429 0.902858 0.331426 Cd\n0.182112 0.364225 0.272907 Cd\n0.963129 0.926256 0.848925 S\n0.592947 0.185893 0.190341 S\n0.316324 0.632648 0.119454 S\n0.313437 0.626873 0.487459 S\n0.689477 0.378954 0.780689 Cl\n0.026884 0.053767 0.471798 Cl\n",
"nsites": 11,
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"elements": [
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"density": 4.29061682081662,
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"volume": 294.60500939716593,
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"formula_full": "Cd5 S4 Cl2",
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"spacegroup": 8
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{
"id": "jvasp-109072",
"created_at": "2022-09-04T14:37:49.648801Z",
"updated_at": "2022-09-04T14:37:49.648811Z",
"structure_string": "Sr2 Yb6\n1.0\n7.775942 0.000000 0.000000\n-3.887972 6.734163 0.000000\n-0.000000 -0.000000 6.371422\nYb Sr\n6 2\ndirect\n0.164455 0.328909 0.250000 Yb\n0.671091 0.835545 0.250000 Yb\n0.164455 0.835545 0.250000 Yb\n0.835545 0.671091 0.750000 Yb\n0.328909 0.164455 0.750000 Yb\n0.835545 0.164455 0.750000 Yb\n0.333333 0.666666 0.750000 Sr\n0.666666 0.333333 0.250000 Sr\n",
"nsites": 8,
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"elements": [
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"volume": 333.6360782381071,
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"formula_full": "Sr2 Yb6",
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"spacegroup": 194
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{
"id": "jvasp-39895",
"created_at": "2022-09-04T14:37:39.500374Z",
"updated_at": "2022-09-04T14:37:39.500400Z",
"structure_string": "Ac1 Mg1 Cd2\n1.0\n-0.000000 3.815608 3.815608\n3.815608 0.000000 3.815608\n3.815608 3.815608 0.000000\nAc Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Mg\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n",
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"formula_full": "Ac1 Mg1 Cd2",
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"spacegroup": 225
},
{
"id": "jvasp-92199",
"created_at": "2022-09-04T14:37:41.280447Z",
"updated_at": "2022-09-04T14:37:41.280465Z",
"structure_string": "K1 Mg6 Ti1\n1.0\n6.600542 0.000992 0.000000\n-3.299413 5.716733 0.000000\n0.000000 0.000000 5.154630\nK Mg Ti\n1 6 1\ndirect\n0.416654 0.083345 0.750000 K\n0.064629 0.907242 0.250000 Mg\n0.592757 0.435371 0.250000 Mg\n0.592668 0.907331 0.250000 Mg\n0.397148 0.573576 0.750000 Mg\n0.926424 0.102852 0.750000 Mg\n0.926389 0.573610 0.750000 Mg\n0.083332 0.416668 0.250000 Ti\n",
"nsites": 8,
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"density": 1.9872871819112805,
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"volume": 194.51928925495605,
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"formula_full": "K1 Mg6 Ti1",
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},
{
"id": "jvasp-58243",
"created_at": "2022-09-04T14:37:40.239873Z",
"updated_at": "2022-09-04T14:37:40.239895Z",
"structure_string": "Ba1 Li1 F3\n1.0\n4.009088 0.000000 -0.000000\n-0.000000 4.009088 0.000000\n-0.000000 -0.000000 4.009088\nBa Li F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 5,
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"formula_full": "Ba1 Li1 F3",
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},
{
"id": "jvasp-23870",
"created_at": "2022-09-04T14:37:39.801457Z",
"updated_at": "2022-09-04T14:37:39.801473Z",
"structure_string": "Sr2 Br2 F2\n1.0\n4.224630 0.000000 0.000000\n0.000000 4.224630 0.000000\n0.000000 0.000000 7.332647\nSr Br F\n2 2 2\ndirect\n0.500000 0.000000 0.812449 Sr\n0.000000 0.500000 0.187551 Sr\n0.000000 0.500000 0.646907 Br\n0.500000 0.000000 0.353094 Br\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
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},
{
"id": "jvasp-37333",
"created_at": "2022-09-04T14:38:02.816208Z",
"updated_at": "2022-09-04T14:38:02.816227Z",
"structure_string": "Sr1 Ac1 Zn2\n1.0\n0.000000 3.889358 3.889358\n3.889358 -0.000000 3.889358\n3.889358 3.889358 -0.000000\nSr Ac Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.249999 0.249999 0.249999 Ac\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
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{
"id": "jvasp-40257",
"created_at": "2022-09-04T14:37:51.017537Z",
"updated_at": "2022-09-04T14:37:51.017564Z",
"structure_string": "Ca1 Mg1 Hg2\n1.0\n-0.000000 3.610093 3.610093\n3.610093 0.000000 3.610093\n3.610093 3.610093 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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