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{
"id": "jvasp-93310",
"created_at": "2022-09-04T14:36:32.260248Z",
"updated_at": "2022-09-04T14:36:32.260277Z",
"structure_string": "La1 Mn2 Ni3\n1.0\n0.000000 -0.000000 -3.954816\n-2.602859 -4.508284 -0.000000\n-2.602859 4.508284 0.000000\nLa Mn Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.666667 0.333333 Mn\n0.000000 0.333333 0.666667 Mn\n0.500001 0.500000 0.500000 Ni\n0.500001 0.000000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n",
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{
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"structure_string": "La1 Mn1 Ni4\n1.0\n5.100928 0.000000 0.000000\n-2.550464 4.417533 -0.000000\n0.000000 -0.000000 3.970782\nLa Mn Ni\n1 1 4\ndirect\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 Mn\n0.000000 0.000000 0.000000 Ni\n0.329358 0.164679 0.500000 Ni\n0.835321 0.164679 0.500000 Ni\n0.835322 0.670642 0.500000 Ni\n",
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{
"id": "jvasp-41946",
"created_at": "2022-09-04T14:37:40.698437Z",
"updated_at": "2022-09-04T14:37:40.698458Z",
"structure_string": "La1 Mg1 Zn2\n1.0\n-0.000000 3.544183 3.544183\n3.544183 0.000000 3.544183\n3.544183 3.544183 0.000000\nLa Mg Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 La\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-109978",
"created_at": "2022-09-04T14:38:20.249678Z",
"updated_at": "2022-09-04T14:38:20.249719Z",
"structure_string": "Yb1 La1 Mg2\n1.0\n4.800999 -0.000000 2.771858\n1.600333 4.526425 2.771858\n-0.000000 -0.000000 5.543716\nYb La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500001 La\n0.250000 0.250000 0.250001 Mg\n0.750000 0.749999 0.750002 Mg\n",
"nsites": 4,
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"elements": [
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"La",
"Mg"
],
"chemical_system": "La-Mg-Yb",
"density": 4.969735419088456,
"density_atomic": 0.03320259847290727,
"volume": 120.4724986589206,
"volume_molar": 18.137558615823277,
"formula_full": "Yb1 La1 Mg2",
"formula_reduced": "LaYbMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101172",
"created_at": "2022-09-04T14:36:58.969920Z",
"updated_at": "2022-09-04T14:36:58.969947Z",
"structure_string": "La1 Y1 Mg6\n1.0\n4.975208 -0.004626 7.534909\n2.259745 4.432412 7.534909\n-0.007559 -0.004626 9.029258\nLa Y Mg\n1 1 6\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.499999 0.500001 Y\n0.622428 0.622427 0.622429 Mg\n0.127244 0.127244 0.127245 Mg\n0.872756 0.872754 0.872757 Mg\n0.377572 0.377571 0.377573 Mg\n0.249045 0.249045 0.249046 Mg\n0.750955 0.750953 0.750956 Mg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "La-Mg-Y",
"density": 3.1091244588154128,
"density_atomic": 0.04008889624480657,
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"formula_full": "La1 Y1 Mg6",
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"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
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{
"id": "jvasp-106546",
"created_at": "2022-09-04T14:37:02.835474Z",
"updated_at": "2022-09-04T14:37:02.835498Z",
"structure_string": "La1 Y1 Mg2\n1.0\n4.724725 -0.000000 2.727821\n1.574908 4.454513 2.727821\n0.000000 -0.000000 5.455642\nLa Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.749999 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-93118",
"created_at": "2022-09-04T14:35:48.080957Z",
"updated_at": "2022-09-04T14:35:48.080988Z",
"structure_string": "La1 Mg6 W1\n1.0\n6.541657 -0.102734 0.000000\n-3.359798 5.613874 0.000000\n0.000000 0.000000 5.020933\nLa Mg W\n1 6 1\ndirect\n0.199649 0.300351 0.250000 La\n0.185150 0.827840 0.250000 Mg\n0.672160 0.314850 0.250000 Mg\n0.663072 0.836928 0.250000 Mg\n0.327190 0.686454 0.750000 Mg\n0.813547 0.172811 0.750000 Mg\n0.824274 0.675727 0.750000 Mg\n0.314960 0.185040 0.750000 W\n",
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"density_atomic": 0.04379820623077821,
"volume": 182.6558822488529,
"volume_molar": 13.74974291930722,
"formula_full": "La1 Mg6 W1",
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"spacegroup": 38
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{
"id": "jvasp-110441",
"created_at": "2022-09-04T14:38:38.084778Z",
"updated_at": "2022-09-04T14:38:38.084810Z",
"structure_string": "La1 Tm1 Mg2\n1.0\n4.700580 -0.000000 2.713881\n1.566860 4.431750 2.713881\n0.000000 0.000000 5.427763\nLa Tm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.749999 Mg\n",
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"spacegroup": 225
},
{
"id": "jvasp-78745",
"created_at": "2022-09-04T14:37:08.640904Z",
"updated_at": "2022-09-04T14:37:08.640925Z",
"structure_string": "La1 Mg1 Tl1\n1.0\n4.360391 -0.000000 2.517473\n1.453464 4.111016 2.517473\n0.000000 -0.000000 5.034946\nLa Mg Tl\n1 1 1\ndirect\n0.499999 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n",
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"formula_full": "La1 Mg1 Tl1",
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"spacegroup": 216
},
{
"id": "jvasp-39197",
"created_at": "2022-09-04T14:37:57.139737Z",
"updated_at": "2022-09-04T14:37:57.139762Z",
"structure_string": "La1 Mg1 Tl2\n1.0\n0.000000 3.813637 3.813637\n3.813637 -0.000000 3.813637\n3.813637 3.813637 0.000000\nLa Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 La\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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{
"id": "jvasp-112736",
"created_at": "2022-09-04T14:38:42.035505Z",
"updated_at": "2022-09-04T14:38:42.035534Z",
"structure_string": "La3 Mg2 Ti1 S8\n1.0\n6.982096 -0.000120 4.031591\n2.327863 6.425085 4.030823\n-0.000461 0.000202 8.061957\nLa Mg Ti S\n3 2 1 8\ndirect\n0.499999 0.500010 0.499992 La\n0.500002 0.499992 -0.000001 La\n0.999997 0.499998 0.500004 La\n0.874876 0.875436 0.874849 Mg\n0.125129 0.124564 0.125150 Mg\n0.500004 -0.000001 0.500005 Ti\n0.729569 0.778549 0.729606 S\n0.270422 0.221459 0.737721 S\n0.250632 0.748045 0.250662 S\n0.737705 0.221412 0.270436 S\n0.749361 0.251956 0.749325 S\n0.262298 0.778588 0.729565 S\n0.270428 0.221443 0.270405 S\n0.729583 0.778547 0.262278 S\n",
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{
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"created_at": "2022-09-04T14:38:33.017000Z",
"updated_at": "2022-09-04T14:38:33.017026Z",
"structure_string": "La6 Mg1 Si2 S14\n1.0\n10.372681 -0.000000 0.000000\n-5.186341 8.983005 0.000000\n-0.000000 -0.000000 5.768402\nLa Mg Si S\n6 1 2 14\ndirect\n0.642394 0.764808 0.754618 La\n0.122414 0.357606 0.754618 La\n0.235191 0.877585 0.754618 La\n0.357532 0.233706 0.245794 La\n0.876173 0.642467 0.245794 La\n0.766294 0.123826 0.245794 La\n0.000000 0.000000 0.510928 Mg\n0.333333 0.666666 0.171393 Si\n0.666667 0.333333 0.661610 Si\n0.524634 0.114272 0.522554 S\n0.114850 0.590791 0.029616 S\n0.409208 0.524059 0.029616 S\n0.475940 0.885149 0.029616 S\n0.837484 0.081806 0.751954 S\n0.918194 0.755677 0.751954 S\n0.755193 0.839621 0.272450 S\n0.160378 0.915571 0.272450 S\n0.084429 0.244807 0.272450 S\n0.589638 0.475365 0.522554 S\n0.666667 0.333333 0.027659 S\n0.333333 0.666666 0.536539 S\n0.244322 0.162515 0.751954 S\n0.885727 0.410362 0.522554 S\n",
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}