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{
"id": "jvasp-38452",
"created_at": "2022-09-04T14:37:46.139735Z",
"updated_at": "2022-09-04T14:37:46.139764Z",
"structure_string": "Pr1 Mg1 Tl2\n1.0\n0.000000 3.788528 3.788528\n3.788528 0.000000 3.788528\n3.788528 3.788528 0.000000\nPr Mg Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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{
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"created_at": "2022-09-04T14:37:52.552279Z",
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"structure_string": "Pr1 Tm1 Mg2\n1.0\n0.000000 3.809292 3.809292\n3.809292 -0.000000 3.809292\n3.809292 3.809292 0.000000\nPr Tm Mg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Pr\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
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{
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"structure_string": "Pr1 Y1 Mg2\n1.0\n-0.000000 3.834946 3.834946\n3.834946 -0.000000 3.834946\n3.834946 3.834946 -0.000000\nPr Y Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 112.79965067619683,
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"formula_full": "Pr1 Y1 Mg2",
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"spacegroup": 225
},
{
"id": "jvasp-107744",
"created_at": "2022-09-04T14:35:57.887994Z",
"updated_at": "2022-09-04T14:35:57.888003Z",
"structure_string": "Pr1 Y1 Mg2\n1.0\n3.816942 -0.000000 0.000000\n0.000000 3.816942 0.000000\n0.000000 -0.000000 7.698388\nPr Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.238606 Mg\n0.500000 0.500000 0.761394 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
],
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"density": 4.122152635074687,
"density_atomic": 0.03566391976424891,
"volume": 112.15817067897784,
"volume_molar": 16.885807280322734,
"formula_full": "Pr1 Y1 Mg2",
"formula_reduced": "PrYMg2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-100644",
"created_at": "2022-09-04T14:36:37.415420Z",
"updated_at": "2022-09-04T14:36:37.415436Z",
"structure_string": "Pr1 Y1 Mg4\n1.0\n5.264801 -0.000000 3.039635\n1.754934 4.963703 3.039635\n-0.000000 -0.000000 6.079269\nPr Y Mg\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Y\n0.624863 0.624863 0.125407 Mg\n0.624864 0.125408 0.624863 Mg\n0.125407 0.624863 0.624864 Mg\n0.624863 0.624863 0.624863 Mg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Pr-Y",
"density": 3.4182374726014806,
"density_atomic": 0.03776696983928534,
"volume": 158.86898063393951,
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"formula_full": "Pr1 Y1 Mg4",
"formula_reduced": "PrYMg4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-37653",
"created_at": "2022-09-04T14:37:58.740248Z",
"updated_at": "2022-09-04T14:37:58.740278Z",
"structure_string": "Yb1 Pr1 Mg2\n1.0\n-0.000000 3.894818 3.894818\n3.894818 0.000000 3.894818\n3.894818 3.894818 0.000000\nYb Pr Mg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Mg\n",
"nsites": 4,
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"elements": [
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"Pr",
"Mg"
],
"chemical_system": "Mg-Pr-Yb",
"density": 5.0948883315137135,
"density_atomic": 0.033850765194953385,
"volume": 118.16571876479581,
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"formula_full": "Yb1 Pr1 Mg2",
"formula_reduced": "YbPrMg2",
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{
"id": "jvasp-42029",
"created_at": "2022-09-04T14:37:36.390816Z",
"updated_at": "2022-09-04T14:37:36.390826Z",
"structure_string": "Pr1 Mg1 Zn2\n1.0\n0.000000 3.502237 3.502237\n3.502237 0.000000 3.502237\n3.502237 3.502237 0.000000\nPr Mg Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Mg-Pr-Zn",
"density": 5.721622292246633,
"density_atomic": 0.046557901800196,
"volume": 85.91452460993766,
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"formula_full": "Pr1 Mg1 Zn2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-53581",
"created_at": "2022-09-04T14:36:45.096364Z",
"updated_at": "2022-09-04T14:36:45.096392Z",
"structure_string": "Mg2 P2 S6\n1.0\n5.792639 0.002581 1.889317\n2.894211 5.278796 0.943985\n-0.102077 0.000805 6.803706\nMg P S\n2 2 6\ndirect\n0.332761 0.334480 0.000000 Mg\n0.667239 0.665521 -0.000000 Mg\n0.056655 -0.000002 0.829814 P\n0.943346 0.000001 0.170188 P\n0.242458 0.000000 0.249626 S\n0.083001 0.324639 0.748403 S\n0.592357 0.324642 0.251599 S\n0.407643 0.675357 0.748402 S\n0.757542 -0.000001 0.750375 S\n0.916999 0.675360 0.251597 S\n",
"nsites": 10,
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"elements": [
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"S"
],
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"density": 2.406831775658388,
"density_atomic": 0.04784419279051269,
"volume": 209.0117821359285,
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"formula_full": "Mg2 P2 S6",
"formula_reduced": "MgPS3",
"formula_anonymous": "ABC3",
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"spacegroup": 12
},
{
"id": "jvasp-5809",
"created_at": "2022-09-04T14:37:58.229287Z",
"updated_at": "2022-09-04T14:37:58.229311Z",
"structure_string": "Mg2 P2 Se6\n1.0\n5.840011 -0.007249 5.011887\n2.298963 5.368481 5.011884\n-0.011002 -0.007243 7.695754\nMg P Se\n2 2 6\ndirect\n0.167995 0.167995 0.167995 Mg\n0.832005 0.832005 0.832004 Mg\n0.444447 0.444448 0.444447 P\n0.555552 0.555553 0.555552 P\n0.410285 0.748842 0.084450 Se\n0.084450 0.410285 0.748842 Se\n0.748842 0.084450 0.410285 Se\n0.589715 0.251158 0.915550 Se\n0.915550 0.589715 0.251158 Se\n0.251157 0.915550 0.589714 Se\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.012241873408944,
"density_atomic": 0.04135129333068698,
"volume": 241.8304046751291,
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"formula_full": "Mg2 P2 Se6",
"formula_reduced": "MgPSe3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-36652",
"created_at": "2022-09-04T14:37:29.175864Z",
"updated_at": "2022-09-04T14:37:29.175884Z",
"structure_string": "Mg1 Si1 P2\n1.0\n3.217549 3.217549 -0.000000\n3.217549 -0.000000 -3.217549\n0.000000 3.217549 -3.217549\nMg Si P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 P\n0.750000 0.750000 0.750000 P\n",
"nsites": 4,
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"volume": 66.62013434313904,
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"formula_full": "Mg1 Si1 P2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-2199",
"created_at": "2022-09-04T14:36:41.923900Z",
"updated_at": "2022-09-04T14:36:41.923920Z",
"structure_string": "Mg2 Si2 P4\n1.0\n5.149785 -0.000000 -2.539077\n-1.251879 4.995306 -2.539077\n0.033756 0.043260 6.560430\nMg Si P\n2 2 4\ndirect\n0.500001 0.500000 -0.000000 Mg\n0.750001 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.250001 0.750001 0.500000 Si\n0.125001 0.664962 0.750000 P\n0.914963 0.875001 0.250000 P\n0.335039 0.375000 0.250000 P\n0.625001 0.085039 0.750000 P\n",
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"density": 2.2350370784811555,
"density_atomic": 0.04708742524738427,
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"formula_full": "Mg2 Si2 P4",
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{
"id": "jvasp-36304",
"created_at": "2022-09-04T14:37:29.527680Z",
"updated_at": "2022-09-04T14:37:29.527720Z",
"structure_string": "Mg2 Sn2 P4\n1.0\n5.926952 -0.000000 0.000000\n-0.000000 5.926952 0.000000\n-2.963476 -2.963476 5.805931\nMg Sn P\n2 2 4\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.749999 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.749999 0.500000 Sn\n0.875031 0.875000 0.250000 P\n0.124999 0.625030 0.750000 P\n0.624999 0.124968 0.750000 P\n0.374969 0.375000 0.250000 P\n",
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"formula_full": "Mg2 Sn2 P4",
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