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{
"id": "jvasp-118729",
"created_at": "2022-09-04T14:38:28.491823Z",
"updated_at": "2022-09-04T14:38:28.491847Z",
"structure_string": "Mg3 Se1\n1.0\n3.574600 -0.654348 -0.471170\n-1.264844 -5.039177 -1.156263\n1.276608 -6.667753 -6.793557\nMg Se\n3 1\ndirect\n0.762237 0.056109 0.078467 Mg\n0.070544 0.307788 0.254530 Mg\n0.128884 0.058835 0.681569 Mg\n0.591358 0.349137 0.735026 Se\n",
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{
"id": "jvasp-118730",
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"structure_string": "Sr1 Mg1 Si1\n1.0\n5.374925 -0.000000 0.000000\n-2.687463 4.654822 -0.000000\n0.000000 -0.000000 3.516312\nSr Mg Si\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.000000 Si\n",
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{
"id": "jvasp-118731",
"created_at": "2022-09-04T14:38:51.390539Z",
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"structure_string": "Mg1 Ta1 Sn1\n1.0\n2.931162 -0.000000 0.000000\n-0.000000 2.931162 -0.000000\n0.000000 -0.000000 8.467002\nMg Ta Sn\n1 1 1\ndirect\n0.000000 0.000000 0.347190 Mg\n0.000000 0.000000 0.679208 Ta\n0.000000 0.000000 0.008678 Sn\n",
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"formula_full": "Mg1 Ta1 Sn1",
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},
{
"id": "jvasp-118732",
"created_at": "2022-09-04T14:38:53.607990Z",
"updated_at": "2022-09-04T14:38:53.608031Z",
"structure_string": "Mn1 F1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nMn F\n1 1\ndirect\n0.000000 0.000000 0.835383 Mn\n0.000000 0.000000 0.164616 F\n",
"nsites": 2,
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"volume": 207.45858883836436,
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"formula_full": "Mn1 F1",
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"spacegroup": 99
},
{
"id": "jvasp-118735",
"created_at": "2022-09-04T14:38:51.427544Z",
"updated_at": "2022-09-04T14:38:51.427562Z",
"structure_string": "Mn1 F2\n1.0\n7.007305 -0.000000 -0.000000\n0.000000 7.007305 -0.000000\n-0.000000 -0.000000 8.564757\nMn F\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.208858 F\n0.000000 0.000000 0.791142 F\n",
"nsites": 3,
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"elements": [
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"density": 0.36695314876458696,
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"volume": 420.5494677397319,
"volume_molar": 84.42026970905813,
"formula_full": "Mn1 F2",
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"spacegroup": 123
},
{
"id": "jvasp-118737",
"created_at": "2022-09-04T14:38:52.881942Z",
"updated_at": "2022-09-04T14:38:52.881973Z",
"structure_string": "Mn1 F2\n1.0\n2.993578 0.000000 0.000000\n0.000000 2.425902 0.000000\n0.000000 0.000000 4.479256\nMn F\n1 2\ndirect\n0.466673 0.000000 0.000000 Mn\n-0.033336 0.000000 0.253147 F\n-0.033336 0.000000 0.746855 F\n",
"nsites": 3,
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"elements": [
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"density": 4.744145402342435,
"density_atomic": 0.0922256106669348,
"volume": 32.52892529857301,
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"formula_full": "Mn1 F2",
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"spacegroup": 47
},
{
"id": "jvasp-118739",
"created_at": "2022-09-04T14:38:47.217160Z",
"updated_at": "2022-09-04T14:38:47.217191Z",
"structure_string": "Mn1 F2\n1.0\n3.853945 0.000000 -0.001744\n0.000000 2.957512 0.000000\n0.001346 0.000000 3.832222\nMn F\n1 2\ndirect\n0.633344 0.000000 -0.033325 Mn\n-0.366689 0.000000 -0.533320 F\n0.133346 0.000000 0.966646 F\n",
"nsites": 3,
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"elements": [
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"formula_full": "Mn1 F2",
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"spacegroup": 123
},
{
"id": "jvasp-118740",
"created_at": "2022-09-04T14:38:50.121155Z",
"updated_at": "2022-09-04T14:38:50.121171Z",
"structure_string": "Mn2 S1 O2\n1.0\n3.370770 0.000000 0.000000\n-1.685385 2.919173 0.000000\n-0.000000 0.000000 6.101749\nMn S O\n2 1 2\ndirect\n0.666666 0.333333 0.776874 Mn\n0.333332 0.666665 0.223127 Mn\n0.000000 0.000000 0.500000 S\n0.666666 0.333333 0.137553 O\n0.333332 0.666665 0.862448 O\n",
"nsites": 5,
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],
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"density": 4.810663685887355,
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"formula_full": "Mn2 S1 O2",
"formula_reduced": "Mn2SO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
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{
"id": "jvasp-118741",
"created_at": "2022-09-04T14:38:50.030787Z",
"updated_at": "2022-09-04T14:38:50.030797Z",
"structure_string": "Mn1 Sb1 O4\n1.0\n4.695675 0.000000 -0.014314\n0.000000 3.089726 0.000000\n-2.017833 0.000000 4.917856\nMn Sb O\n1 1 4\ndirect\n0.500000 0.500001 0.000000 Mn\n0.500000 0.000000 0.500000 Sb\n0.718052 0.000000 0.227645 O\n0.726072 0.500001 0.762432 O\n0.281948 0.000000 0.772356 O\n0.273927 0.500001 0.237569 O\n",
"nsites": 6,
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"density": 5.608762624134378,
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"volume": 71.26073047968754,
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"formula_full": "Mn1 Sb1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 10
},
{
"id": "jvasp-118742",
"created_at": "2022-09-04T14:38:28.609052Z",
"updated_at": "2022-09-04T14:38:28.609074Z",
"structure_string": "Mn1 Si1 O4\n1.0\n-1.810622 1.810622 4.381812\n1.810622 -1.810622 4.381812\n1.810622 1.810622 -4.381812\nMn Si O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749998 0.250000 0.499999 Si\n0.949239 0.449240 0.499999 O\n0.782707 0.782707 0.000000 O\n0.550758 0.050759 0.499999 O\n0.217292 0.217292 0.000000 O\n",
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"volume": 57.460489006498534,
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-118743",
"created_at": "2022-09-04T14:38:51.435489Z",
"updated_at": "2022-09-04T14:38:51.435508Z",
"structure_string": "Mn1 Si1 O2\n1.0\n2.977724 -0.000000 -0.000000\n-0.000000 2.977724 0.000000\n-0.000000 0.000000 4.861638\nMn Si O\n1 1 2\ndirect\n0.499999 0.499999 0.440268 Mn\n0.000000 0.000000 -0.024415 Si\n0.000000 0.000000 0.624761 O\n0.499999 0.499999 0.969387 O\n",
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{
"id": "jvasp-118744",
"created_at": "2022-09-04T14:38:50.029220Z",
"updated_at": "2022-09-04T14:38:50.029248Z",
"structure_string": "N1 Cl1\n1.0\n3.531602 -0.000000 0.000000\n-1.765801 3.058457 -0.000000\n-0.000000 0.000000 3.363875\nN Cl\n1 1\ndirect\n0.333333 0.666668 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
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"volume": 36.334064458088235,
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"formula_full": "N1 Cl1",
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