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{
"id": "jvasp-109713",
"created_at": "2022-09-04T14:38:18.389408Z",
"updated_at": "2022-09-04T14:38:18.389434Z",
"structure_string": "Mn1 Co1 Se2\n1.0\n3.668094 0.000000 0.000000\n-1.834047 3.176663 0.000000\n0.000000 0.000000 5.615868\nMn Co Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Co\n0.333332 0.666666 0.268158 Se\n0.666665 0.333333 0.731842 Se\n",
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{
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"structure_string": "Mn1 Cd1 Te2\n1.0\n4.377616 -0.001209 6.518159\n1.984783 3.901815 6.518159\n-0.001972 -0.001209 7.851746\nMn Cd Te\n1 1 2\ndirect\n0.498271 0.498269 0.498271 Mn\n0.001296 0.001296 0.001296 Cd\n0.129867 0.129866 0.129867 Te\n0.620569 0.620567 0.620568 Te\n",
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{
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"structure_string": "Mn1 Ga1\n1.0\n2.733760 0.000000 0.000000\n-1.366880 2.367506 0.000000\n-0.000000 -0.000000 4.062597\nMn Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.500000 Ga\n",
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"elements": [
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"density": 7.87271707185085,
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"volume": 26.29391268814065,
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"formula_full": "Mn1 Ga1",
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"formula_anonymous": "AB",
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{
"id": "jvasp-109710",
"created_at": "2022-09-04T14:38:02.864844Z",
"updated_at": "2022-09-04T14:38:02.864879Z",
"structure_string": "Mn2 Fe2 P4\n1.0\n3.181110 0.000000 0.000000\n0.000000 5.145516 0.000000\n0.000000 -0.000000 5.784386\nMn Fe P\n2 2 4\ndirect\n-0.000000 0.500046 0.453543 Mn\n-0.000000 0.000046 0.546458 Mn\n0.500000 0.498026 0.052690 Fe\n0.500000 0.998027 0.947311 Fe\n0.500000 0.309141 0.682535 P\n0.500000 0.809141 0.317466 P\n-0.000000 0.692789 0.828026 P\n-0.000000 0.192788 0.171975 P\n",
"nsites": 8,
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"elements": [
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"density": 6.05875527150145,
"density_atomic": 0.08449385027610895,
"volume": 94.68144692019129,
"volume_molar": 7.127312508923256,
"formula_full": "Mn2 Fe2 P4",
"formula_reduced": "MnFeP2",
"formula_anonymous": "ABC2",
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"spacegroup": 26
},
{
"id": "jvasp-10971",
"created_at": "2022-09-04T14:37:12.765618Z",
"updated_at": "2022-09-04T14:37:12.765637Z",
"structure_string": "Ba2 Y1 Ta1 O6\n1.0\n5.199380 -0.000000 -2.995955\n-1.726310 4.904427 -2.995955\n0.003492 0.004932 6.015715\nBa Y Ta O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000001 Ta\n0.759971 0.711840 0.000001 O\n0.288160 0.759971 0.000001 O\n0.711840 0.240029 0.000001 O\n0.240029 0.288160 0.000001 O\n0.263891 0.263891 0.527783 O\n0.736109 0.736109 0.472218 O\n",
"nsites": 10,
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"elements": [
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"density": 6.9264256950625205,
"density_atomic": 0.06512356214434102,
"volume": 153.55425395551646,
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"formula_full": "Ba2 Y1 Ta1 O6",
"formula_reduced": "Ba2YTaO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 87
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{
"id": "jvasp-109709",
"created_at": "2022-09-04T14:38:00.061326Z",
"updated_at": "2022-09-04T14:38:00.061356Z",
"structure_string": "Mn2 Fe2 Si4\n1.0\n4.480588 0.000000 0.000000\n0.000000 4.489193 0.016871\n-0.000000 -0.000934 4.489472\nMn Fe Si\n2 2 4\ndirect\n0.635438 0.132862 0.387577 Mn\n0.135438 0.867138 0.612422 Mn\n0.364471 0.362888 0.884885 Fe\n0.864471 0.637112 0.115115 Fe\n0.657425 0.653013 0.593079 Si\n0.157425 0.346987 0.406920 Si\n0.342667 0.839137 0.091650 Si\n0.842667 0.160863 0.908349 Si\n",
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"elements": [
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"density": 6.140124024126311,
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"volume": 90.30231733432858,
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"formula_full": "Mn2 Fe2 Si4",
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"formula_anonymous": "ABC2",
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"spacegroup": 4
},
{
"id": "jvasp-109708",
"created_at": "2022-09-04T14:38:16.998996Z",
"updated_at": "2022-09-04T14:38:16.999017Z",
"structure_string": "Mn1 Fe1 Si4\n1.0\n2.742883 0.000000 0.000000\n0.000000 2.742883 0.000000\n0.000000 0.000000 10.250180\nMn Fe Si\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.499999 0.499999 0.365512 Si\n0.499999 0.499999 0.863953 Si\n0.499999 0.499999 0.136047 Si\n0.499999 0.499999 0.634488 Si\n",
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"volume": 77.11627751809955,
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"formula_full": "Mn1 Fe1 Si4",
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"formula_anonymous": "ABC4",
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"spacegroup": 123
},
{
"id": "jvasp-109707",
"created_at": "2022-09-04T14:38:28.265800Z",
"updated_at": "2022-09-04T14:38:28.265819Z",
"structure_string": "Mn1 Pd3\n1.0\n2.754243 0.038289 8.511742\n1.374646 2.386980 8.511742\n0.065185 0.038289 8.946026\nMn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.255744 0.255743 0.255742 Pd\n0.500001 0.500000 0.499999 Pd\n0.744258 0.744258 0.744255 Pd\n",
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"volume": 56.59043871882661,
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"formula_full": "Mn1 Pd3",
"formula_reduced": "MnPd3",
"formula_anonymous": "AB3",
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"spacegroup": 166
},
{
"id": "jvasp-109706",
"created_at": "2022-09-04T14:38:27.996636Z",
"updated_at": "2022-09-04T14:38:27.996648Z",
"structure_string": "Mn1 Zn3 S4\n1.0\n3.860682 -0.000000 0.000000\n-1.930340 3.343449 0.000000\n-0.000000 -0.000000 12.717073\nMn Zn S\n1 3 4\ndirect\n0.000000 0.000000 0.247568 Mn\n0.000000 0.000000 0.749416 Zn\n0.333333 0.666667 0.996376 Zn\n0.333333 0.666667 0.502568 Zn\n0.000000 0.000000 0.059276 S\n0.000000 0.000000 0.564142 S\n0.333333 0.666667 0.317488 S\n0.333333 0.666667 0.811168 S\n",
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],
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"density_atomic": 0.04873534995640599,
"volume": 164.1518939980125,
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"formula_full": "Mn1 Zn3 S4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 156
},
{
"id": "jvasp-109705",
"created_at": "2022-09-04T14:38:27.767194Z",
"updated_at": "2022-09-04T14:38:27.767218Z",
"structure_string": "Mo2 H2 O6\n1.0\n8.130342 0.184360 0.347546\n7.156351 3.863042 0.347546\n0.090198 0.023881 3.744812\nMo H O\n2 2 6\ndirect\n0.103430 0.070664 0.238027 Mo\n0.929336 0.896570 0.761974 Mo\n0.566496 0.955155 0.954700 H\n0.044844 0.433505 0.045301 H\n0.966138 0.932234 0.257165 O\n0.067766 0.033862 0.742837 O\n0.606378 0.571440 0.239877 O\n0.428560 0.393622 0.760125 O\n0.229827 0.182770 0.138266 O\n0.817231 0.770172 0.861736 O\n",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-109704",
"created_at": "2022-09-04T14:38:26.767563Z",
"updated_at": "2022-09-04T14:38:26.767591Z",
"structure_string": "Mo2 Rh1\n1.0\n6.317732 0.029387 1.392065\n5.737096 2.681094 1.322477\n-0.014809 0.067629 2.714542\nMo Rh\n2 1\ndirect\n0.340914 0.340914 0.659087 Mo\n0.659087 0.659086 0.340915 Mo\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-109703",
"created_at": "2022-09-04T14:38:20.676291Z",
"updated_at": "2022-09-04T14:38:20.676322Z",
"structure_string": "Na1 Sb1 Te2\n1.0\n4.461014 0.000000 0.000000\n0.000000 4.461014 0.000000\n-0.000000 0.000000 6.182971\nNa Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 -0.000000 Te\n",
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