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{
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"results": [
{
"id": "mp-1022086",
"created_at": "2022-09-04T14:40:54.211261Z",
"structure_string": "Mg12 Ga2 Cu2\n1.0\n4.837700 0.000000 0.000000\n0.000000 6.231453 0.000000\n0.000000 0.000000 10.429008\nMg Ga Cu\n12 2 2\ndirect\n0.500000 0.250408 0.084435 Mg\n0.500000 0.749592 0.084435 Mg\n0.000000 0.245128 0.912224 Mg\n0.000000 0.754872 0.912224 Mg\n0.000000 0.500000 0.172063 Mg\n0.000000 0.500000 0.669013 Mg\n0.500000 0.750408 0.584435 Mg\n0.500000 0.249592 0.584435 Mg\n0.000000 0.745128 0.412224 Mg\n0.000000 0.254872 0.412224 Mg\n0.000000 0.000000 0.672063 Mg\n0.000000 0.000000 0.169013 Mg\n0.500000 0.500000 0.832729 Ga\n0.500000 0.000000 0.332729 Ga\n0.500000 0.500000 0.332881 Cu\n0.500000 0.000000 0.832881 Cu\n",
"nsites": 16,
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"elements": [
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"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Mg",
"density": 2.948262280662845,
"density_atomic": 0.05089190705143616,
"volume": 314.3918341246063,
"volume_molar": 11.833199243080943,
"formula_full": "Mg12 Ga2 Cu2",
"formula_reduced": "Mg6GaCu",
"formula_anonymous": "ABC6",
"energy": -33.53553118,
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"updated_at": "2021-11-28T01:34:57.993000Z",
"spacegroup": 38
},
{
"id": "mp-706336",
"created_at": "2022-09-04T14:40:54.213667Z",
"structure_string": "Na8 Be4 Si12 Sn2 H8 O40\n1.0\n3.745698 10.456672 0.000000\n-3.745698 10.456672 0.000000\n0.000000 5.584596 10.783742\nNa Be Si Sn H O\n8 4 12 2 8 40\ndirect\n0.204248 0.309728 0.266946 Na\n0.690272 0.795752 0.233054 Na\n0.795752 0.690272 0.733054 Na\n0.309728 0.204248 0.766946 Na\n0.209195 0.684616 0.197392 Na\n0.315384 0.790805 0.302608 Na\n0.790805 0.315384 0.802608 Na\n0.684616 0.209195 0.697392 Na\n0.603076 0.396924 0.250000 Be\n0.396924 0.603076 0.750000 Be\n0.916466 0.083534 0.250000 Be\n0.083534 0.916466 0.750000 Be\n0.656837 0.549006 0.002310 Si\n0.450994 0.343163 0.497690 Si\n0.343163 0.450994 0.997690 Si\n0.549006 0.656837 0.502310 Si\n0.859757 0.373713 0.304452 Si\n0.626287 0.140243 0.195548 Si\n0.140243 0.626287 0.695548 Si\n0.373713 0.859757 0.804452 Si\n0.934274 0.856830 0.993970 Si\n0.143170 0.065726 0.506030 Si\n0.065726 0.143170 0.006030 Si\n0.856830 0.934274 0.493970 Si\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.964668 0.657801 0.399216 H\n0.342199 0.035332 0.100784 H\n0.035332 0.342199 0.600784 H\n0.657801 0.964668 0.899216 H\n0.174536 0.455991 0.413222 H\n0.544009 0.825464 0.086778 H\n0.825464 0.544009 0.586778 H\n0.455991 0.174536 0.913222 H\n0.435047 0.478670 0.366824 O\n0.521330 0.564953 0.133176 O\n0.564953 0.521330 0.633176 O\n0.478670 0.435047 0.866824 O\n0.860067 0.773580 0.994781 O\n0.226420 0.139933 0.505219 O\n0.139933 0.226420 0.005219 O\n0.773580 0.860067 0.494781 O\n0.926701 0.472256 0.192979 O\n0.527744 0.073299 0.307021 O\n0.073299 0.527744 0.807021 O\n0.472256 0.926701 0.692979 O\n0.999814 0.918751 0.368332 O\n0.081249 0.000186 0.131668 O\n0.000186 0.081249 0.631668 O\n0.918751 0.999814 0.868332 O\n0.155133 0.674235 0.027459 O\n0.325765 0.844867 0.472541 O\n0.844867 0.325765 0.972541 O\n0.674235 0.155133 0.527459 O\n0.734339 0.637153 0.984282 O\n0.362847 0.265661 0.515718 O\n0.265661 0.362847 0.015718 O\n0.637153 0.734339 0.484282 O\n0.084788 0.552158 0.352547 O\n0.447842 0.915212 0.147453 O\n0.915212 0.447842 0.647453 O\n0.552158 0.084788 0.852547 O\n0.813650 0.294854 0.261377 O\n0.705146 0.186350 0.238623 O\n0.186350 0.705146 0.738623 O\n0.294854 0.813650 0.761377 O\n0.662142 0.543907 0.385615 O\n0.456093 0.337858 0.114385 O\n0.337858 0.456093 0.614385 O\n0.543907 0.662142 0.885615 O\n0.036706 0.197028 0.383491 O\n0.802972 0.963294 0.116509 O\n0.963294 0.802972 0.616509 O\n0.197028 0.036706 0.883491 O\n",
"nsites": 74,
"nelements": 6,
"elements": [
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"Be",
"Si",
"Sn",
"H",
"O"
],
"chemical_system": "Be-H-Na-O-Si-Sn",
"density": 2.8354687135147394,
"density_atomic": 0.08760038010704554,
"volume": 844.745192995439,
"volume_molar": 6.874560079124188,
"formula_full": "Na8 Be4 Si12 Sn2 H8 O40",
"formula_reduced": "Na4Be2Si6Sn(HO5)4",
"formula_anonymous": "AB2C4D4E6F20",
"energy": -521.78011752,
"energy_per_atom": -7.051082669189189,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -494.30011752,
"band_gap": 0.0,
"is_gap_direct": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.846000Z",
"spacegroup": 15
},
{
"id": "mp-849278",
"created_at": "2022-09-04T14:40:54.213836Z",
"structure_string": "Fe1 Ni3 Sn2 P6 O24\n1.0\n7.304610 -4.350026 0.000000\n7.304610 4.350026 0.000000\n4.714092 0.000000 7.075124\nFe Ni Sn P O\n1 3 2 6 24\ndirect\n0.850508 0.850508 0.850508 Fe\n0.147624 0.147624 0.147624 Ni\n0.353359 0.353359 0.353359 Ni\n0.646564 0.646564 0.646564 Ni\n0.001251 0.001251 0.001251 Sn\n0.500321 0.500321 0.500321 Sn\n0.452838 0.749041 0.045884 P\n0.749041 0.045884 0.452838 P\n0.953834 0.546214 0.250675 P\n0.250675 0.953834 0.546214 P\n0.546214 0.250675 0.953834 P\n0.045884 0.452838 0.749041 P\n0.512740 0.321423 0.102718 O\n0.102718 0.512740 0.321423 O\n0.249564 0.904559 0.066643 O\n0.321423 0.102718 0.512740 O\n0.604916 0.824232 0.003602 O\n0.438033 0.596359 0.249903 O\n0.904559 0.066643 0.249564 O\n0.596359 0.249903 0.438033 O\n0.989190 0.397926 0.178094 O\n0.249903 0.438033 0.596359 O\n0.933731 0.752243 0.092915 O\n0.178094 0.989190 0.397926 O\n0.824232 0.003602 0.604916 O\n0.066643 0.249564 0.904559 O\n0.748410 0.568150 0.403055 O\n0.003602 0.604916 0.824232 O\n0.403055 0.748410 0.568150 O\n0.092915 0.933731 0.752243 O\n0.568150 0.403055 0.748410 O\n0.397926 0.178094 0.989190 O\n0.676393 0.897688 0.489398 O\n0.752243 0.092915 0.933731 O\n0.897688 0.489398 0.676393 O\n0.489398 0.676393 0.897688 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Fe",
"Ni",
"Sn",
"P",
"O"
],
"chemical_system": "Fe-Ni-O-P-Sn",
"density": 3.8378161804563846,
"density_atomic": 0.080066263791566,
"volume": 449.62757465138714,
"volume_molar": 7.521445955911282,
"formula_full": "Fe1 Ni3 Sn2 P6 O24",
"formula_reduced": "FeNi3Sn2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -264.3390568,
"energy_per_atom": -7.342751577777777,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -237.9720568,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.331000Z",
"spacegroup": 146
},
{
"id": "mp-35822",
"created_at": "2022-09-04T14:40:54.221663Z",
"structure_string": "Li8 Si2 O8\n1.0\n5.232395 0.000000 0.000000\n0.031993 5.388907 0.000000\n0.015504 0.154939 6.141125\nLi Si O\n8 2 8\ndirect\n0.830847 0.198787 0.990403 Li\n0.800371 0.175883 0.535728 Li\n0.816935 0.655800 0.761177 Li\n0.387193 0.846519 0.554261 Li\n0.406605 0.294972 0.229093 Li\n0.192640 0.802459 0.972438 Li\n0.083698 0.526675 0.424889 Li\n0.062287 0.998478 0.276773 Li\n0.670681 0.686936 0.246335 Si\n0.322468 0.319779 0.753186 Si\n0.809980 0.832827 0.042046 O\n0.766828 0.828453 0.468873 O\n0.766370 0.391797 0.264753 O\n0.634476 0.336213 0.761281 O\n0.352571 0.692432 0.248533 O\n0.197118 0.601264 0.725636 O\n0.228400 0.181033 0.522286 O\n0.216331 0.172594 0.974810 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Si",
"density": 2.2985686267275303,
"density_atomic": 0.10394972793927447,
"volume": 173.16062636080463,
"volume_molar": 5.793320366858511,
"formula_full": "Li8 Si2 O8",
"formula_reduced": "Li4SiO4",
"formula_anonymous": "AB4C4",
"energy": -113.30779915,
"energy_per_atom": -6.294877730555555,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -107.81179914999998,
"band_gap": 5.0854,
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"updated_at": "2021-11-28T01:34:59.830000Z",
"spacegroup": 1
},
{
"id": "mp-1048275",
"created_at": "2022-09-04T14:40:54.225287Z",
"structure_string": "Mg4 Mn4 P8 O28\n1.0\n8.567089 0.000000 0.000000\n0.000000 7.117714 0.000000\n0.000000 3.589611 8.524020\nMg Mn P O\n4 4 8 28\ndirect\n0.940040 0.698014 0.181078 Mg\n0.440040 0.301986 0.318922 Mg\n0.559960 0.698014 0.681078 Mg\n0.059960 0.301986 0.818922 Mg\n0.069635 0.236201 0.390798 Mn\n0.930365 0.763799 0.609202 Mn\n0.569635 0.763799 0.109202 Mn\n0.430365 0.236201 0.890798 Mn\n0.735415 0.061885 0.757220 P\n0.223702 0.532252 0.031346 P\n0.764585 0.061885 0.257220 P\n0.276298 0.532252 0.531346 P\n0.235415 0.938115 0.742780 P\n0.723702 0.467748 0.468654 P\n0.776298 0.467748 0.968654 P\n0.264585 0.938115 0.242780 P\n0.178241 0.749578 0.899876 O\n0.609626 0.114883 0.308784 O\n0.890374 0.114883 0.808784 O\n0.384019 0.541678 0.104549 O\n0.821759 0.250422 0.100124 O\n0.102989 0.970499 0.622672 O\n0.615981 0.458322 0.895451 O\n0.090632 0.493979 0.150422 O\n0.272916 0.378356 0.451351 O\n0.897011 0.029501 0.377328 O\n0.397011 0.970499 0.122672 O\n0.761970 0.881532 0.203869 O\n0.261970 0.118468 0.296131 O\n0.321759 0.749578 0.399876 O\n0.602989 0.029501 0.877328 O\n0.109626 0.885117 0.191216 O\n0.238030 0.118468 0.796131 O\n0.909368 0.506021 0.849578 O\n0.227084 0.378356 0.951351 O\n0.772916 0.621644 0.048649 O\n0.884019 0.458322 0.395451 O\n0.409368 0.493979 0.650422 O\n0.590632 0.506021 0.349578 O\n0.390374 0.885117 0.691216 O\n0.738030 0.881532 0.703869 O\n0.115981 0.541678 0.604549 O\n0.727084 0.621644 0.548649 O\n0.678241 0.250422 0.600124 O\n",
"nsites": 44,
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"elements": [
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"P",
"O"
],
"chemical_system": "Mg-Mn-O-P",
"density": 3.235423511893778,
"density_atomic": 0.08465145054838359,
"volume": 519.7784528789764,
"volume_molar": 7.114043198300506,
"formula_full": "Mg4 Mn4 P8 O28",
"formula_reduced": "MgMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -347.38557976000004,
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"updated_at": "2021-11-28T01:35:00.591000Z",
"spacegroup": 14
},
{
"id": "mp-1220294",
"created_at": "2022-09-04T14:40:54.228543Z",
"structure_string": "Nd2 Sn4 Pd1\n1.0\n0.000000 0.000000 4.539394\n4.497139 0.000000 0.000000\n2.248570 9.134085 0.000000\nNd Sn Pd\n2 4 1\ndirect\n0.250000 0.895212 0.209575 Nd\n0.750000 0.103735 0.792531 Nd\n0.250000 0.540233 0.919535 Sn\n0.750000 0.439006 0.121989 Sn\n0.250000 0.262962 0.474075 Sn\n0.750000 0.761232 0.477536 Sn\n0.250000 0.682620 0.634760 Pd\n",
"nsites": 7,
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"elements": [
"Nd",
"Sn",
"Pd"
],
"chemical_system": "Nd-Pd-Sn",
"density": 7.745354495134095,
"density_atomic": 0.03754039178809018,
"volume": 186.46582165455112,
"volume_molar": 16.041763213325183,
"formula_full": "Nd2 Sn4 Pd1",
"formula_reduced": "Nd2Sn4Pd",
"formula_anonymous": "AB2C4",
"energy": -35.52762993,
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"updated_at": "2021-11-28T01:34:58.559000Z",
"spacegroup": 38
},
{
"id": "mp-766101",
"created_at": "2022-09-04T14:40:54.228924Z",
"structure_string": "Li8 Fe4 P8 H4 O32\n1.0\n2.988836 -0.000041 7.357802\n-0.000033 8.114399 -0.000031\n-9.738452 0.000039 -0.003569\nLi Fe P H O\n8 4 8 4 32\ndirect\n0.657134 0.366552 0.769896 Li\n0.657138 0.366558 0.269902 Li\n0.842870 0.866545 0.730101 Li\n0.842855 0.866563 0.230115 Li\n0.158939 0.134534 0.277292 Li\n0.158964 0.134517 0.777286 Li\n0.341062 0.634532 0.222729 Li\n0.341045 0.634523 0.722714 Li\n0.495378 0.000048 0.247136 Fe\n0.004551 0.500020 0.252821 Fe\n0.495419 0.999960 0.747150 Fe\n0.004610 0.499978 0.752849 Fe\n0.268684 0.348347 0.568745 P\n0.268662 0.348401 0.068753 P\n0.231328 0.848376 0.431257 P\n0.231321 0.848352 0.931246 P\n0.762376 0.155342 0.565331 P\n0.762332 0.155357 0.065254 P\n0.737656 0.655373 0.434742 P\n0.737638 0.655353 0.934672 P\n0.512779 0.511302 0.490381 H\n0.512784 0.511313 0.990377 H\n0.987219 0.011311 0.509630 H\n0.987215 0.011305 0.009630 H\n0.839527 0.545280 0.862257 O\n0.839525 0.545277 0.362252 O\n0.660485 0.045285 0.637738 O\n0.660465 0.045268 0.137749 O\n0.312205 0.178960 0.648672 O\n0.312142 0.179085 0.148766 O\n0.187841 0.679066 0.351260 O\n0.187860 0.679033 0.851304 O\n0.347795 0.824997 0.598576 O\n0.347816 0.824994 0.098604 O\n0.152173 0.324994 0.401393 O\n0.152205 0.324997 0.901423 O\n0.448230 0.441458 0.596008 O\n0.448230 0.441461 0.096020 O\n0.051767 0.941461 0.403979 O\n0.051776 0.941453 0.903985 O\n0.814438 0.320964 0.647648 O\n0.814416 0.320986 0.147654 O\n0.685556 0.820984 0.352340 O\n0.685580 0.820960 0.852358 O\n0.847029 0.676460 0.601824 O\n0.847038 0.676478 0.101881 O\n0.652968 0.176469 0.398117 O\n0.652971 0.176457 0.898171 O\n0.947496 0.060384 0.594642 O\n0.947476 0.060390 0.094639 O\n0.552521 0.560390 0.405367 O\n0.552509 0.560387 0.905362 O\n0.340835 0.955205 0.361300 O\n0.340816 0.955173 0.861308 O\n0.159155 0.455220 0.138695 O\n0.159197 0.455166 0.638699 O\n",
"nsites": 56,
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"elements": [
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"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 2.978401105528178,
"density_atomic": 0.09632927731315029,
"volume": 581.3393556141132,
"volume_molar": 6.25162040863551,
"formula_full": "Li8 Fe4 P8 H4 O32",
"formula_reduced": "Li2FeP2HO8",
"formula_anonymous": "ABC2D2E8",
"energy": -400.01669035,
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"updated_at": "2021-11-28T01:35:00.273000Z",
"spacegroup": 4
},
{
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