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{
"id": "jvasp-102116",
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"updated_at": "2022-09-04T14:36:39.782631Z",
"structure_string": "Mg5 Sc1\n1.0\n5.578897 0.000000 0.000000\n-2.789449 4.831467 -0.000000\n0.000000 0.000000 5.111264\nMg Sc\n5 1\ndirect\n0.000000 0.659475 0.000000 Mg\n0.333333 0.666667 0.500000 Mg\n0.659475 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.340525 0.340525 0.000000 Mg\n0.000000 0.000000 0.500000 Sc\n",
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{
"id": "jvasp-100208",
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"structure_string": "Mg2 Sc2\n1.0\n3.567999 0.000000 0.000000\n0.000000 5.058239 0.000000\n0.000000 -0.000000 5.059329\nMg Sc\n2 2\ndirect\n0.500000 0.750000 0.250285 Mg\n0.500000 0.250000 0.749715 Mg\n0.000000 0.750000 0.750251 Sc\n0.000000 0.250000 0.249749 Sc\n",
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{
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"structure_string": "Mg4 Sc2\n1.0\n5.916812 0.011040 1.546102\n5.054756 3.075423 1.546102\n-0.025598 -0.007201 7.604390\nMg Sc\n4 2\ndirect\n0.029220 0.029220 0.693960 Mg\n0.305417 0.305417 0.642089 Mg\n0.694583 0.694582 0.357911 Mg\n0.970781 0.970779 0.306039 Mg\n0.361530 0.361530 0.026088 Sc\n0.638470 0.638470 0.973911 Sc\n",
"nsites": 6,
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"elements": [
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"spacegroup": 12
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{
"id": "jvasp-121228",
"created_at": "2022-09-04T14:38:53.450558Z",
"updated_at": "2022-09-04T14:38:53.450585Z",
"structure_string": "Mg1 Sc1\n1.0\n2.913478 0.000000 -0.000000\n0.000000 2.913478 -0.000000\n-0.000000 -0.000000 6.138110\nMg Sc\n1 1\ndirect\n0.000000 0.000000 0.749998 Mg\n0.000000 0.000000 0.250002 Sc\n",
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"elements": [
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"volume": 52.10245091764501,
"volume_molar": 15.688414668352468,
"formula_full": "Mg1 Sc1",
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"spacegroup": 123
},
{
"id": "jvasp-111280",
"created_at": "2022-09-04T14:38:48.760429Z",
"updated_at": "2022-09-04T14:38:48.760459Z",
"structure_string": "Mg5 Sc1\n1.0\n4.904062 0.004665 3.746939\n1.855224 4.539603 3.746939\n0.006939 0.004665 6.171656\nMg Sc\n5 1\ndirect\n0.340610 0.000001 0.659390 Mg\n0.659389 0.340611 0.000000 Mg\n-0.000001 0.659389 0.340611 Mg\n0.162922 0.162923 0.162923 Mg\n0.837076 0.837079 0.837078 Mg\n0.499999 0.500001 0.500001 Sc\n",
"nsites": 6,
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"formula_full": "Mg5 Sc1",
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"formula_anonymous": "AB5",
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"spacegroup": 155
},
{
"id": "jvasp-20107",
"created_at": "2022-09-04T14:36:38.625687Z",
"updated_at": "2022-09-04T14:36:38.625713Z",
"structure_string": "Mg1 Sc1\n1.0\n3.573671 -0.000000 0.000000\n-0.000000 3.573671 -0.000000\n0.000000 -0.000000 3.573671\nMg Sc\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 2,
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"spacegroup": 221
},
{
"id": "jvasp-41184",
"created_at": "2022-09-04T14:37:44.320460Z",
"updated_at": "2022-09-04T14:37:44.320489Z",
"structure_string": "Mg6 Sc2\n1.0\n3.213823 -5.566506 0.000000\n3.213823 5.566506 0.000000\n-0.000000 -0.000000 5.074601\nMg Sc\n6 2\ndirect\n0.665249 0.832625 0.750000 Mg\n0.167374 0.832625 0.750000 Mg\n0.167374 0.334750 0.750000 Mg\n0.832625 0.665249 0.250000 Mg\n0.832625 0.167374 0.250000 Mg\n0.334750 0.167374 0.250000 Mg\n0.666667 0.333332 0.750000 Sc\n0.333332 0.666667 0.250000 Sc\n",
"nsites": 8,
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"density": 2.1560022241747716,
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"volume": 181.5668388437658,
"volume_molar": 13.667763260817418,
"formula_full": "Mg6 Sc2",
"formula_reduced": "Mg3Sc",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-110006",
"created_at": "2022-09-04T14:38:16.676302Z",
"updated_at": "2022-09-04T14:38:16.676323Z",
"structure_string": "Mg2 Sc4\n1.0\n5.929793 -0.015099 1.466791\n5.047450 3.112223 1.466791\n0.010507 0.002964 7.626672\nMg Sc\n2 4\ndirect\n0.360351 0.360350 0.026456 Mg\n0.639651 0.639647 0.973544 Mg\n0.024312 0.024309 0.692408 Sc\n0.303888 0.303886 0.633237 Sc\n0.696114 0.696111 0.366762 Sc\n0.975691 0.975688 0.307592 Sc\n",
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"formula_full": "Mg2 Sc4",
"formula_reduced": "MgSc2",
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"spacegroup": 12
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{
"id": "jvasp-107199",
"created_at": "2022-09-04T14:36:56.058279Z",
"updated_at": "2022-09-04T14:36:56.058288Z",
"structure_string": "Mg1 Sc3\n1.0\n4.944505 -0.002504 -3.614214\n-0.445062 3.095866 -5.265759\n0.009897 0.002504 6.124588\nMg Sc\n1 3\ndirect\n0.169065 0.500000 0.669065 Mg\n0.757967 0.753993 0.003978 Sc\n0.249986 0.246010 0.003976 Sc\n0.656367 -0.000000 0.656367 Sc\n",
"nsites": 4,
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"spacegroup": 44
},
{
"id": "jvasp-100608",
"created_at": "2022-09-04T14:36:46.994295Z",
"updated_at": "2022-09-04T14:36:46.994313Z",
"structure_string": "Mg4 Sc2\n1.0\n6.002869 0.010404 1.566353\n5.164878 3.059178 1.566353\n-0.003424 -0.000941 7.560071\nMg Sc\n4 2\ndirect\n0.196456 0.196456 0.857903 Mg\n0.860170 0.860168 0.530789 Mg\n0.139832 0.139832 0.469210 Mg\n0.803545 0.803544 0.142096 Mg\n0.476383 0.476382 0.805659 Sc\n0.523619 0.523618 0.194340 Sc\n",
"nsites": 6,
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},
{
"id": "jvasp-110827",
"created_at": "2022-09-04T14:38:37.457706Z",
"updated_at": "2022-09-04T14:38:37.457723Z",
"structure_string": "Mg1 Sc3\n1.0\n3.233343 0.000000 0.000000\n-1.616672 2.800157 0.000000\n-0.000000 -0.000000 10.545267\nMg Sc\n1 3\ndirect\n0.333334 0.666667 0.500000 Mg\n0.666666 0.333334 0.757711 Sc\n0.333334 0.666667 -0.000000 Sc\n0.666666 0.333334 0.242289 Sc\n",
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{
"id": "jvasp-99427",
"created_at": "2022-09-04T14:36:10.385120Z",
"updated_at": "2022-09-04T14:36:10.385140Z",
"structure_string": "Mg4 Sc2\n1.0\n8.379569 0.016764 0.000000\n-7.750248 3.186080 0.000000\n0.000000 0.000000 5.135281\nMg Sc\n4 2\ndirect\n0.108887 0.891113 0.250000 Mg\n0.776002 0.223996 0.250000 Mg\n0.891112 0.108886 0.750000 Mg\n0.223997 0.776002 0.750000 Mg\n0.443059 0.556940 0.250000 Sc\n0.556940 0.443059 0.750000 Sc\n",
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}