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{
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"results": [
{
"id": "mp-570141",
"created_at": "2022-09-04T14:48:06.310711Z",
"structure_string": "Sm4 P6 Pt12\n1.0\n-2.063899 2.063899 23.046089\n2.063899 -2.063899 23.046089\n2.063899 2.063899 -23.046089\nSm P Pt\n4 6 12\ndirect\n0.049407 0.549407 0.500000 Sm\n0.299407 0.299407 0.000000 Sm\n0.450593 0.950593 0.500000 Sm\n0.700593 0.700593 0.000000 Sm\n0.825123 0.825123 0.000000 P\n0.750000 0.250000 0.500000 P\n0.575123 0.075123 0.500000 P\n0.924877 0.424877 0.500000 P\n0.000000 0.000000 0.000000 P\n0.174877 0.174877 0.000000 P\n0.897722 0.897722 0.000000 Pt\n0.399702 0.399702 0.000000 Pt\n0.647722 0.147722 0.500000 Pt\n0.102278 0.102278 0.000000 Pt\n0.149702 0.649702 0.500000 Pt\n0.774198 0.774198 0.000000 Pt\n0.225802 0.225802 0.000000 Pt\n0.852278 0.352278 0.500000 Pt\n0.975802 0.475802 0.500000 Pt\n0.600298 0.600298 0.000000 Pt\n0.350298 0.850298 0.500000 Pt\n0.524198 0.024198 0.500000 Pt\n",
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"elements": [
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"P",
"Pt"
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"chemical_system": "P-Pt-Sm",
"density": 13.2288495094398,
"density_atomic": 0.05602586539576588,
"volume": 392.67577295937025,
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"energy": -145.99112944,
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"updated_at": "2021-11-28T01:38:26.089000Z",
"spacegroup": 141
},
{
"id": "mp-1245132",
"created_at": "2022-09-04T14:48:06.332373Z",
"structure_string": "Ga50 N50\n1.0\n11.554746 -0.478189 -0.158166\n-0.477064 11.475572 0.222032\n-0.156152 0.206731 11.390147\nGa N\n50 50\ndirect\n0.116900 0.174651 0.401361 Ga\n0.093540 0.527076 0.295413 Ga\n0.863601 0.899154 0.072048 Ga\n0.976915 0.740408 0.928079 Ga\n0.234133 0.333016 0.197509 Ga\n0.523017 0.028648 0.824507 Ga\n0.543391 0.741863 0.724689 Ga\n0.929705 0.315982 0.330730 Ga\n0.262331 0.975034 0.375130 Ga\n0.584767 0.025073 0.288922 Ga\n0.145028 0.780682 0.454702 Ga\n0.405424 0.904073 0.160852 Ga\n0.472497 0.207269 0.138011 Ga\n0.707928 0.351355 0.199436 Ga\n0.991688 0.442638 0.541581 Ga\n0.634069 0.095597 0.007514 Ga\n0.293140 0.044960 0.619502 Ga\n0.311664 0.610723 0.839263 Ga\n0.867904 0.684812 0.576594 Ga\n0.191793 0.489586 0.034711 Ga\n0.732929 0.139587 0.394397 Ga\n0.532542 0.234016 0.601040 Ga\n0.892095 0.623734 0.351371 Ga\n0.882767 0.160464 0.935332 Ga\n0.405453 0.215165 0.404671 Ga\n0.216511 0.827431 0.938312 Ga\n0.828842 0.635175 0.143245 Ga\n0.310748 0.650411 0.270001 Ga\n0.627907 0.769765 0.984531 Ga\n0.948915 0.168738 0.165046 Ga\n0.854527 0.462579 0.753707 Ga\n0.916606 0.168875 0.556533 Ga\n0.519764 0.969476 0.560437 Ga\n0.645036 0.578296 0.565034 Ga\n0.110016 0.792581 0.164102 Ga\n0.071553 0.611393 0.788965 Ga\n0.547015 0.434134 0.713816 Ga\n0.755925 0.932754 0.814869 Ga\n0.776118 0.684696 0.828574 Ga\n0.988739 0.910526 0.356921 Ga\n0.744956 0.396218 0.497859 Ga\n0.938939 0.405014 0.111279 Ga\n0.145694 0.049356 0.150439 Ga\n0.725088 0.057341 0.620572 Ga\n0.534915 0.574185 0.947192 Ga\n0.284575 0.822581 0.644628 Ga\n0.390727 0.697729 0.065707 Ga\n0.430358 0.748039 0.435731 Ga\n0.742751 0.244563 0.745850 Ga\n0.663696 0.416194 0.974701 Ga\n0.448527 0.496593 0.448684 N\n0.343300 0.057806 0.924293 N\n0.435742 0.983376 0.401239 N\n0.457605 0.081356 0.671322 N\n0.961272 0.762414 0.447465 N\n0.717013 0.698926 0.666600 N\n0.850020 0.346674 0.624516 N\n0.456244 0.806870 0.593061 N\n0.890343 0.124159 0.331484 N\n0.377768 0.341420 0.857828 N\n0.625091 0.265985 0.074301 N\n0.473261 0.583772 0.782825 N\n0.245134 0.568576 0.609660 N\n0.776836 0.566577 0.467430 N\n0.169914 0.238367 0.768167 N\n0.007066 0.902669 0.676617 N\n0.118340 0.192848 0.224811 N\n0.734450 0.863639 0.334431 N\n0.260871 0.127924 0.465551 N\n0.751088 0.772711 0.099274 N\n0.997639 0.656191 0.090198 N\n0.049267 0.552192 0.117407 N\n0.325752 0.120403 0.995818 N\n0.157163 0.697362 0.304320 N\n0.585097 0.504052 0.248800 N\n0.292948 0.775803 0.806988 N\n0.963350 0.572592 0.657205 N\n0.519742 0.044925 0.132304 N\n0.565739 0.598313 0.248245 N\n0.997223 0.452508 0.862887 N\n0.705134 0.804182 0.410216 N\n0.022762 0.288255 0.475694 N\n0.970192 0.065732 0.408202 N\n0.195951 0.498663 0.556048 N\n0.254549 0.945780 0.203476 N\n0.001931 0.921563 0.180896 N\n0.403303 0.348363 0.953599 N\n0.031463 0.407923 0.955600 N\n0.092845 0.056242 0.970107 N\n0.786277 0.469416 0.095510 N\n0.753718 0.312269 0.354996 N\n0.386025 0.418929 0.472262 N\n0.479836 0.887969 0.330549 N\n0.130879 0.314845 0.724167 N\n0.044142 0.995997 0.665398 N\n0.782387 0.014694 0.975410 N\n0.585163 0.867893 0.839665 N\n0.116317 0.986236 0.903702 N\n0.382375 0.273737 0.245181 N\n0.700189 0.398102 0.811165 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.613256375217473,
"density_atomic": 0.06636039365512536,
"volume": 1506.9229474390932,
"volume_molar": 9.0749021039523,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -566.08612406,
"energy_per_atom": -5.6608612406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -548.03612406,
"band_gap": 0.0,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.890000Z",
"spacegroup": 1
},
{
"id": "mp-776208",
"created_at": "2022-09-04T14:48:06.454546Z",
"structure_string": "Mn3 Nb1 Fe2 P6 O24\n1.0\n7.454691 -4.371984 0.000000\n7.454691 4.371984 0.000000\n4.890635 0.000000 7.125192\nMn Nb Fe P O\n3 1 2 6 24\ndirect\n0.145618 0.145618 0.145618 Mn\n0.356646 0.356646 0.356646 Mn\n0.643433 0.643433 0.643433 Mn\n0.857495 0.857495 0.857495 Nb\n0.005425 0.005425 0.005425 Fe\n0.500413 0.500413 0.500413 Fe\n0.450630 0.748302 0.045224 P\n0.539608 0.256166 0.955662 P\n0.955662 0.539608 0.256166 P\n0.256166 0.955662 0.539608 P\n0.748302 0.045224 0.450630 P\n0.045224 0.450630 0.748302 P\n0.312630 0.110030 0.512073 O\n0.512073 0.312630 0.110030 O\n0.911793 0.059064 0.260277 O\n0.110030 0.512073 0.312630 O\n0.817338 0.991270 0.615256 O\n0.593767 0.238284 0.447671 O\n0.059064 0.260277 0.911793 O\n0.238284 0.447671 0.593767 O\n0.387543 0.190831 0.988874 O\n0.447671 0.593767 0.238284 O\n0.738519 0.090557 0.935608 O\n0.988874 0.387543 0.190831 O\n0.991270 0.615256 0.817338 O\n0.260277 0.911793 0.059064 O\n0.559843 0.410823 0.758409 O\n0.615256 0.817338 0.991270 O\n0.758409 0.559843 0.410823 O\n0.935608 0.738519 0.090557 O\n0.410823 0.758409 0.559843 O\n0.190831 0.988874 0.387543 O\n0.888222 0.488538 0.688154 O\n0.090557 0.935608 0.738519 O\n0.488538 0.688154 0.888222 O\n0.688154 0.888222 0.488538 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Mn",
"Nb",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-Nb-O-P",
"density": 3.3580742345708017,
"density_atomic": 0.07751178229349437,
"volume": 464.4455195687264,
"volume_molar": 7.769323039428346,
"formula_full": "Mn3 Nb1 Fe2 P6 O24",
"formula_reduced": "Mn3NbFe2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -294.49190914,
"energy_per_atom": -8.180330809444445,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -268.48790914,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:27.073000Z",
"spacegroup": 146
},
{
"id": "mp-1103593",
"created_at": "2022-09-04T14:48:06.458546Z",
"structure_string": "Dy2 Co8 B2\n1.0\n-2.496218 -4.323576 0.000000\n-2.497742 4.324456 0.000000\n0.000000 0.000000 -6.828157\nDy Co B\n2 8 2\ndirect\n0.999990 0.000000 0.000000 Dy\n0.999996 0.000000 0.500000 Dy\n0.333257 0.666600 0.000000 Co\n0.666657 0.333400 0.000000 Co\n0.499999 0.000000 0.288352 Co\n0.499995 0.500004 0.288400 Co\n0.999991 0.499996 0.288400 Co\n0.499999 0.000000 0.711648 Co\n0.499995 0.500004 0.711600 Co\n0.999991 0.499996 0.711600 Co\n0.333259 0.666588 0.500000 B\n0.666671 0.333412 0.500000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Co",
"B"
],
"chemical_system": "B-Co-Dy",
"density": 9.213254111382707,
"density_atomic": 0.08138519520170086,
"volume": 147.44696465075523,
"volume_molar": 7.399553131346602,
"formula_full": "Dy2 Co8 B2",
"formula_reduced": "DyCo4B",
"formula_anonymous": "ABC4",
"energy": -83.08768018,
"energy_per_atom": -6.923973348333334,
"energy_above_hull": null,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:27.617000Z",
"spacegroup": 191
},
{
"id": "mp-1175025",
"created_at": "2022-09-04T14:48:11.671663Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.014155 0.000000 0.000000\n-1.593958 4.851760 0.000000\n-0.000070 -0.021358 8.875452\nLi Mn Co O\n7 2 3 12\ndirect\n0.003004 0.504958 0.179268 Li\n0.499388 0.500835 0.343339 Li\n0.000705 0.497930 0.495808 Li\n0.508683 0.506096 0.658052 Li\n0.997784 0.499554 0.827619 Li\n0.494658 0.497559 0.000677 Li\n0.004019 0.002473 0.335147 Li\n0.996957 0.996419 0.004257 Mn\n0.499619 0.000193 0.170208 Mn\n0.503401 0.004591 0.491356 Co\n0.996410 0.001889 0.659533 Co\n0.492737 0.992604 0.825633 Co\n0.251670 0.776534 0.007060 O\n0.749859 0.777360 0.154617 O\n0.279853 0.767780 0.320977 O\n0.751696 0.772640 0.506307 O\n0.255593 0.768613 0.670863 O\n0.761558 0.775382 0.843589 O\n0.722053 0.234218 0.321894 O\n0.260468 0.232419 0.508313 O\n0.750326 0.233789 0.674119 O\n0.232287 0.219910 0.843465 O\n0.740698 0.215585 0.004242 O\n0.246575 0.220667 0.153655 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.0549233705954695,
"density_atomic": 0.1111536420958513,
"volume": 215.9173514018015,
"volume_molar": 5.417852844450133,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.89360375,
"energy_per_atom": -6.5789001562500005,
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"updated_at": "2021-11-28T01:38:32.397000Z",
"spacegroup": 1
},
{
"id": "mp-1180118",
"created_at": "2022-09-04T14:48:11.679076Z",
"structure_string": "P4 Pb2 O16\n1.0\n7.345809 -0.372937 -4.642075\n-2.033492 5.122011 -0.271831\n0.177992 0.664485 8.470711\nP Pb O\n4 2 16\ndirect\n0.709052 0.663072 0.908480 P\n0.290948 0.336928 0.091520 P\n0.800593 0.131287 0.530199 P\n0.199407 0.868713 0.469801 P\n0.075521 0.742998 0.803995 Pb\n0.924479 0.257002 0.196005 Pb\n0.701003 0.892487 0.007037 O\n0.298997 0.107513 0.992963 O\n0.509254 0.551224 0.721135 O\n0.490746 0.448776 0.278865 O\n0.883542 0.768224 0.890569 O\n0.116458 0.231776 0.109431 O\n0.708462 0.431034 0.014622 O\n0.291538 0.568966 0.985378 O\n0.910537 0.942301 0.583260 O\n0.089463 0.057699 0.416740 O\n0.810528 0.267677 0.373981 O\n0.189472 0.732323 0.626019 O\n0.590897 0.939029 0.462301 O\n0.409103 0.060971 0.537699 O\n0.872329 0.338531 0.698572 O\n0.127671 0.661469 0.301428 O\n",
"nsites": 22,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "O-P-Pb",
"density": 4.069066275652027,
"density_atomic": 0.06787217098917585,
"volume": 324.13874021369566,
"volume_molar": 8.872768724254307,
"formula_full": "P4 Pb2 O16",
"formula_reduced": "P2PbO8",
"formula_anonymous": "AB2C8",
"energy": -148.89579451999998,
"energy_per_atom": -6.767990659999999,
"energy_above_hull": null,
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"energy_uncorrected": -137.90379452,
"band_gap": 0.0127999999999999,
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"is_magnetic": true,
"total_magnetization": 4.0010768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.054000Z",
"spacegroup": 2
},
{
"id": "mp-16564",
"created_at": "2022-09-04T14:48:13.692032Z",
"structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n-2.878872 2.878872 5.760379\n2.878872 -2.878872 5.760379\n2.878872 2.878872 -5.760379\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.623856 0.623856 0.518111 Se\n0.894256 0.376144 0.000000 Se\n0.376144 0.894256 0.000000 Se\n0.105744 0.105744 0.481889 Se\n",
"nsites": 8,
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"elements": [
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"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn-Zn",
"density": 5.45250661235132,
"density_atomic": 0.04189230199873088,
"volume": 190.96587244697983,
"volume_molar": 14.375292052898976,
"formula_full": "Zn1 Cu2 Sn1 Se4",
"formula_reduced": "ZnCu2SnSe4",
"formula_anonymous": "ABC2D4",
"energy": -32.45438801,
"energy_per_atom": -4.05679850125,
"energy_above_hull": null,
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"energy_uncorrected": -30.56638801,
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"updated_at": "2021-11-28T01:38:39.404000Z",
"spacegroup": 121
},
{
"id": "mp-1196845",
"created_at": "2022-09-04T14:48:06.324188Z",
"structure_string": "Sm12 Tl2 Fe26\n1.0\n8.005795 0.000000 0.000000\n0.000000 8.005795 0.000000\n-4.002897 -4.002897 11.593355\nSm Tl Fe\n12 2 26\ndirect\n0.604223 0.604223 0.208446 Sm\n0.104223 0.104223 0.208446 Sm\n0.395777 0.395777 0.791554 Sm\n0.895777 0.895777 0.791554 Sm\n0.978792 0.478792 0.631252 Sm\n0.652460 0.152460 0.631252 Sm\n0.152460 0.978792 0.631252 Sm\n0.478792 0.652460 0.631252 Sm\n0.021208 0.521208 0.368748 Sm\n0.347540 0.847540 0.368748 Sm\n0.847540 0.021208 0.368748 Sm\n0.521208 0.347540 0.368748 Sm\n0.250000 0.250000 0.500000 Tl\n0.750000 0.750000 0.500000 Tl\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.710062 0.566314 0.000000 Fe\n0.289938 0.433686 0.000000 Fe\n0.789938 0.066314 0.000000 Fe\n0.210062 0.933686 0.000000 Fe\n0.566314 0.289938 0.000000 Fe\n0.433686 0.710062 0.000000 Fe\n0.066314 0.210062 0.000000 Fe\n0.933686 0.789938 0.000000 Fe\n0.119854 0.619854 0.881617 Fe\n0.761762 0.261762 0.881617 Fe\n0.261762 0.119854 0.881617 Fe\n0.619854 0.761762 0.881617 Fe\n0.880146 0.380146 0.118383 Fe\n0.238238 0.738238 0.118383 Fe\n0.738238 0.880146 0.118383 Fe\n0.380146 0.238238 0.118383 Fe\n0.291731 0.791731 0.810361 Fe\n0.518629 0.018629 0.810361 Fe\n0.018629 0.291731 0.810361 Fe\n0.791731 0.518629 0.810361 Fe\n0.708269 0.208269 0.189639 Fe\n0.481371 0.981371 0.189639 Fe\n0.981371 0.708269 0.189639 Fe\n0.208269 0.481371 0.189639 Fe\n",
"nsites": 40,
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"elements": [
"Sm",
"Tl",
"Fe"
],
"chemical_system": "Fe-Sm-Tl",
"density": 8.19052458832677,
"density_atomic": 0.05383217490959386,
"volume": 743.0500452039377,
"volume_molar": 11.18687990985619,
"formula_full": "Sm12 Tl2 Fe26",
"formula_reduced": "Sm6TlFe13",
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