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{
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"results": [
{
"id": "jvasp-23393",
"created_at": "2022-09-04T14:37:41.487346Z",
"updated_at": "2022-09-04T14:37:41.487363Z",
"structure_string": "Mg4 P6 Rh7\n1.0\n6.463030 0.000000 -2.285026\n-3.231515 5.597148 -2.285026\n0.000000 0.000000 6.855078\nMg P Rh\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.317838 0.317838 P\n0.317838 0.000000 0.317838 P\n0.000001 0.682162 0.682162 P\n0.682163 0.682162 -0.000000 P\n0.317838 0.317838 -0.000000 P\n0.682162 0.000000 0.682162 P\n0.500001 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.250000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750001 0.500000 0.250000 Rh\n0.250001 0.750000 0.500000 Rh\n",
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"formula_full": "Mg4 P6 Rh7",
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{
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"updated_at": "2022-09-04T14:38:14.155849Z",
"structure_string": "Pr3 Mg3 Pt3\n1.0\n3.797928 -6.578204 0.000000\n3.797928 6.578204 0.000000\n0.000000 0.000000 4.151803\nPr Mg Pt\n3 3 3\ndirect\n0.000000 0.587549 0.000000 Pr\n0.587549 0.000000 0.000000 Pr\n0.412451 0.412451 0.000000 Pr\n0.760298 0.760298 0.500000 Mg\n0.000000 0.239703 0.500000 Mg\n0.239703 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 Pt\n0.666667 0.333333 0.500000 Pt\n",
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"volume": 207.4535155027413,
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"formula_full": "Pr3 Mg3 Pt3",
"formula_reduced": "PrMgPt",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-111732",
"created_at": "2022-09-04T14:38:41.834216Z",
"updated_at": "2022-09-04T14:38:41.834253Z",
"structure_string": "Pr16 Mg4 Rh4\n1.0\n8.704781 -0.000000 5.025708\n2.901594 8.206947 5.025708\n-0.000000 -0.000000 10.051415\nPr Mg Rh\n16 4 4\ndirect\n0.346784 0.346785 0.346785 Pr\n0.936816 0.936817 0.563184 Pr\n0.563183 0.563184 0.936817 Pr\n0.936816 0.563184 0.936817 Pr\n0.563183 0.936817 0.563184 Pr\n0.936816 0.563184 0.563184 Pr\n0.811234 0.811235 0.188766 Pr\n0.188766 0.188767 0.811234 Pr\n0.563183 0.936817 0.936817 Pr\n0.188766 0.811234 0.188766 Pr\n0.188766 0.811235 0.811234 Pr\n0.811233 0.188767 0.188767 Pr\n0.959645 0.346785 0.346785 Pr\n0.346784 0.959646 0.346785 Pr\n0.346784 0.346785 0.959646 Pr\n0.811233 0.188767 0.811234 Pr\n0.579110 0.579111 0.579111 Mg\n0.579110 0.579111 0.262668 Mg\n0.579111 0.262668 0.579111 Mg\n0.262667 0.579111 0.579111 Mg\n0.141894 0.574318 0.141895 Rh\n0.141894 0.141895 0.141895 Rh\n0.141894 0.141895 0.574318 Rh\n0.574317 0.141895 0.141895 Rh\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Mg-Pr-Rh",
"density": 6.390290085424588,
"density_atomic": 0.03342293306373197,
"volume": 718.0698340937341,
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"formula_full": "Pr16 Mg4 Rh4",
"formula_reduced": "Pr4MgRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5724935750000002,
"spacegroup": 216
},
{
"id": "jvasp-22764",
"created_at": "2022-09-04T14:37:45.379906Z",
"updated_at": "2022-09-04T14:37:45.379929Z",
"structure_string": "Pr4 Mg4 Rh4\n1.0\n4.216816 -0.000000 0.000000\n-0.000000 7.266668 0.000000\n0.000000 0.000000 8.696154\nPr Mg Rh\n4 4 4\ndirect\n0.250000 0.538017 0.178810 Pr\n0.750001 0.461983 0.821190 Pr\n0.250000 0.038017 0.321190 Pr\n0.750001 0.961984 0.678810 Pr\n0.250000 0.633559 0.557885 Mg\n0.750001 0.366442 0.442115 Mg\n0.250000 0.133559 0.942115 Mg\n0.750001 0.866442 0.057885 Mg\n0.750001 0.746036 0.375674 Rh\n0.250000 0.253964 0.624326 Rh\n0.750001 0.246036 0.124326 Rh\n0.250000 0.753964 0.875674 Rh\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Mg-Pr-Rh",
"density": 6.683256219531233,
"density_atomic": 0.04503332919058768,
"volume": 266.4693065266002,
"volume_molar": 13.372630601023108,
"formula_full": "Pr4 Mg4 Rh4",
"formula_reduced": "PrMgRh",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8965639666666667,
"spacegroup": 62
},
{
"id": "jvasp-117232",
"created_at": "2022-09-04T14:38:49.494744Z",
"updated_at": "2022-09-04T14:38:49.494770Z",
"structure_string": "Pr8 Mg4 Se16\n1.0\n6.987111 -0.000000 0.000000\n0.000000 8.595615 0.000000\n0.000000 -0.000000 14.543371\nPr Mg Se\n8 4 16\ndirect\n0.500000 0.000000 -0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n-0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n-0.014451 0.750000 0.230542 Pr\n0.014451 0.250000 0.769458 Pr\n0.485549 0.250000 0.269458 Pr\n0.514451 0.750000 0.730542 Pr\n0.588388 0.250000 0.595357 Mg\n0.411612 0.750000 0.404643 Mg\n0.088388 0.750000 0.904643 Mg\n0.911612 0.250000 0.095357 Mg\n0.726304 0.750000 0.910662 Se\n0.273696 0.250000 0.089338 Se\n0.257966 0.750000 0.568665 Se\n0.742034 0.250000 0.431335 Se\n0.757966 0.250000 0.931335 Se\n0.242034 0.750000 0.068665 Se\n0.738328 0.484515 0.171625 Se\n0.261672 0.984515 0.828375 Se\n0.238328 0.515484 0.328375 Se\n0.761671 0.484515 0.671625 Se\n0.761671 0.015484 0.671625 Se\n0.238328 0.984515 0.328375 Se\n0.773696 0.750000 0.410662 Se\n0.738328 0.015484 0.171625 Se\n0.261672 0.515484 0.828375 Se\n0.226304 0.250000 0.589338 Se\n",
"nsites": 28,
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"elements": [
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"Mg",
"Se"
],
"chemical_system": "Mg-Pr-Se",
"density": 4.729683419870146,
"density_atomic": 0.03205666586786565,
"volume": 873.4532816174078,
"volume_molar": 18.785923604228397,
"formula_full": "Pr8 Mg4 Se16",
"formula_reduced": "Pr2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0703146023809524,
"spacegroup": 62
},
{
"id": "jvasp-119669",
"created_at": "2022-09-04T14:38:52.414032Z",
"updated_at": "2022-09-04T14:38:52.414056Z",
"structure_string": "Pr4 Mg2 Se8\n1.0\n7.352996 -0.000000 4.245254\n2.450999 6.932471 4.245254\n-0.000000 -0.000000 8.490508\nPr Mg Se\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Pr\n0.125000 0.125000 0.625000 Pr\n0.625000 0.125000 0.124999 Pr\n0.125000 0.125000 0.125000 Pr\n0.500000 0.500000 0.499999 Mg\n0.750001 0.750000 0.749999 Mg\n0.876574 0.876573 0.876572 Se\n0.370282 0.876573 0.876572 Se\n0.876574 0.370282 0.876572 Se\n0.876574 0.876573 0.370281 Se\n0.373427 0.373427 0.879718 Se\n0.373427 0.879718 0.373426 Se\n0.879719 0.373427 0.373426 Se\n0.373427 0.373427 0.373427 Se\n",
"nsites": 14,
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"elements": [
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"Mg",
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],
"chemical_system": "Mg-Pr-Se",
"density": 4.77260718530207,
"density_atomic": 0.03234759290971819,
"volume": 432.79881872737366,
"volume_molar": 18.61696719384263,
"formula_full": "Pr4 Mg2 Se8",
"formula_reduced": "Pr2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0720074595238096,
"spacegroup": 227
},
{
"id": "jvasp-113125",
"created_at": "2022-09-04T14:38:46.486192Z",
"updated_at": "2022-09-04T14:38:46.486218Z",
"structure_string": "Pr4 Mg2 Se8\n1.0\n7.204566 0.025408 -2.775685\n-3.386168 6.359268 -2.775685\n-0.015196 -0.025408 7.720749\nPr Mg Se\n4 2 8\ndirect\n0.875000 0.748692 0.373693 Pr\n0.498692 0.125000 0.873692 Pr\n0.375000 0.501308 0.626309 Pr\n0.251308 0.625000 0.126309 Pr\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500001 Mg\n0.504270 0.374919 0.266995 Se\n0.762725 0.495730 0.870649 Se\n0.107923 0.237275 0.733005 Se\n0.625082 0.892077 0.129352 Se\n0.245730 0.012725 0.370649 Se\n0.987275 0.357924 0.233007 Se\n0.642076 0.875082 0.629352 Se\n0.124918 0.754270 0.766995 Se\n",
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"density_atomic": 0.039617159580617206,
"volume": 353.38222498034753,
"volume_molar": 15.200839292240293,
"formula_full": "Pr4 Mg2 Se8",
"formula_reduced": "Pr2MgSe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-106634",
"created_at": "2022-09-04T14:36:56.634717Z",
"updated_at": "2022-09-04T14:36:56.634746Z",
"structure_string": "Pr4 Mg2 Si4\n1.0\n7.413635 -0.000000 0.000000\n0.000000 7.413635 0.000000\n0.000000 -0.000000 4.415634\nPr Mg Si\n4 2 4\ndirect\n0.680437 0.180437 0.500000 Pr\n0.319564 0.819564 0.500000 Pr\n0.180437 0.319564 0.500000 Pr\n0.819564 0.680437 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115174 0.615174 -0.000000 Si\n0.884827 0.384826 -0.000000 Si\n0.615174 0.884827 -0.000000 Si\n0.384826 0.115174 -0.000000 Si\n",
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"volume": 242.69200487468936,
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"formula_full": "Pr4 Mg2 Si4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-38437",
"created_at": "2022-09-04T14:37:54.820521Z",
"updated_at": "2022-09-04T14:37:54.820552Z",
"structure_string": "Pr1 Sm1 Mg2\n1.0\n-0.000000 3.853778 3.853778\n3.853778 0.000000 3.853778\n3.853778 3.853778 -0.000000\nPr Sm Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Pr1 Sm1 Mg2",
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{
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"created_at": "2022-09-04T14:36:02.815548Z",
"updated_at": "2022-09-04T14:36:02.815574Z",
"structure_string": "Pr2 Mg2 Sn2\n1.0\n4.526182 -0.000000 -0.000000\n0.000000 4.526182 -0.000000\n-2.263091 -2.263091 8.118696\nPr Mg Sn\n2 2 2\ndirect\n0.664723 0.664723 0.329447 Pr\n0.335277 0.335277 0.670554 Pr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.866792 0.866792 0.733585 Sn\n0.133208 0.133208 0.266416 Sn\n",
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"spacegroup": 139
},
{
"id": "jvasp-119558",
"created_at": "2022-09-04T14:38:52.185130Z",
"updated_at": "2022-09-04T14:38:52.185161Z",
"structure_string": "Pr4 Mg4 Sn4\n1.0\n4.646647 0.000000 0.000000\n0.000000 7.715369 0.000000\n0.000000 0.000000 9.109362\nPr Mg Sn\n4 4 4\ndirect\n0.250000 0.019926 0.317409 Pr\n0.250000 0.519926 0.182591 Pr\n0.750000 0.980074 0.682591 Pr\n0.750000 0.480074 0.817409 Pr\n0.250000 0.155803 0.930988 Mg\n0.250000 0.655803 0.569011 Mg\n0.750000 0.844197 0.069011 Mg\n0.750000 0.344197 0.430988 Mg\n0.250000 0.271420 0.611209 Sn\n0.250000 0.771420 0.888790 Sn\n0.750000 0.728580 0.388790 Sn\n0.750000 0.228580 0.111210 Sn\n",
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"formula_full": "Pr4 Mg4 Sn4",
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"spacegroup": 62
},
{
"id": "jvasp-42857",
"created_at": "2022-09-04T14:37:06.060626Z",
"updated_at": "2022-09-04T14:37:06.060648Z",
"structure_string": "Pr2 Mg1 Tl1\n1.0\n0.000000 3.901333 3.901333\n3.901333 0.000000 3.901333\n3.901333 3.901333 -0.000000\nPr Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.250001 0.250001 0.250001 Mg\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.138037857219846,
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"volume": 118.7596911639398,
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"formula_full": "Pr2 Mg1 Tl1",
"formula_reduced": "Pr2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4940973250000001,
"spacegroup": 225
}
]
}