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{
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"results": [
{
"id": "mp-22292",
"created_at": "2022-09-04T14:47:57.987843Z",
"structure_string": "Eu2 Cu2 Sb2\n1.0\n2.264026 -3.921408 0.000000\n2.264026 3.921408 0.000000\n0.000000 0.000000 8.613718\nEu Cu Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n",
"nsites": 6,
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"Cu",
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"density": 7.323399399661606,
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{
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"structure_string": "Zn1 In1 Pd2\n1.0\n0.000000 3.197377 3.197377\n3.197377 0.000000 3.197377\n3.197377 3.197377 0.000000\nZn In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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"In",
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"volume": 65.37497494238363,
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"formula_full": "Zn1 In1 Pd2",
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"updated_at": "2021-11-28T01:38:28.166000Z",
"spacegroup": 225
},
{
"id": "mp-1078505",
"created_at": "2022-09-04T14:47:58.002812Z",
"structure_string": "Dy2 Sn6\n1.0\n2.205971 -11.073051 0.000000\n2.205971 11.073051 0.000000\n0.000000 0.000000 4.452267\nDy Sn\n2 6\ndirect\n0.483147 0.516853 0.500000 Dy\n0.213238 0.786762 0.000000 Dy\n0.100136 0.899864 0.500000 Sn\n0.728478 0.271522 0.500000 Sn\n0.864196 0.135804 0.500000 Sn\n0.974418 0.025582 0.000000 Sn\n0.363156 0.636844 0.000000 Sn\n0.599231 0.400769 0.000000 Sn\n",
"nsites": 8,
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"density": 7.918782823453055,
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"volume": 217.5095327933799,
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"formula_full": "Dy2 Sn6",
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"formula_anonymous": "AB3",
"energy": -36.14830595,
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"updated_at": "2021-11-28T01:38:27.501000Z",
"spacegroup": 38
},
{
"id": "mp-777443",
"created_at": "2022-09-04T14:47:58.003077Z",
"structure_string": "Li6 Fe3 F18\n1.0\n4.337630 7.611624 0.000000\n-4.337630 7.611624 0.000000\n0.000000 0.063477 4.507585\nLi Fe F\n6 3 18\ndirect\n0.007158 0.341026 0.994858 Li\n0.992842 0.658974 0.005142 Li\n0.658974 0.992842 0.005142 Li\n0.651149 0.348851 0.000000 Li\n0.341026 0.007158 0.994858 Li\n0.348851 0.651149 0.000000 Li\n0.666913 0.666913 0.505759 Fe\n0.000000 0.000000 0.000000 Fe\n0.333087 0.333087 0.494241 Fe\n0.894428 0.208006 0.781428 F\n0.871633 0.563389 0.746140 F\n0.772591 0.462449 0.269901 F\n0.772361 0.772361 0.255397 F\n0.896660 0.896660 0.782954 F\n0.561939 0.561939 0.757941 F\n0.791994 0.105572 0.218572 F\n0.462449 0.772591 0.269901 F\n0.563389 0.871633 0.746140 F\n0.436611 0.128367 0.253860 F\n0.537551 0.227409 0.730099 F\n0.208006 0.894428 0.781428 F\n0.103340 0.103340 0.217046 F\n0.227639 0.227639 0.744603 F\n0.438061 0.438061 0.242059 F\n0.227409 0.537551 0.730099 F\n0.128367 0.436611 0.253860 F\n0.105572 0.791994 0.218572 F\n",
"nsites": 27,
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"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.074800455602224,
"density_atomic": 0.09071101213821638,
"volume": 297.64853641871065,
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"formula_full": "Li6 Fe3 F18",
"formula_reduced": "Li2FeF6",
"formula_anonymous": "AB2C6",
"energy": -141.36655092,
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"updated_at": "2021-11-28T01:38:28.454000Z",
"spacegroup": 12
},
{
"id": "mp-777467",
"created_at": "2022-09-04T14:47:57.966591Z",
"structure_string": "Li6 Mn12 B12 O36\n1.0\n5.349453 0.000000 0.000000\n-0.350982 10.266055 0.000000\n-2.626332 -0.228583 13.680281\nLi Mn B O\n6 12 12 36\ndirect\n0.148117 0.080319 0.002003 Li\n0.446784 0.669655 0.669985 Li\n0.479729 0.184664 0.658769 Li\n0.803915 0.678544 0.341442 Li\n0.791601 0.157926 0.323346 Li\n0.868973 0.413115 0.008863 Li\n0.057600 0.133705 0.769713 Mn\n0.296843 0.876754 0.874510 Mn\n0.055367 0.385986 0.432222 Mn\n0.256520 0.630865 0.212507 Mn\n0.621013 0.632005 0.907556 Mn\n0.365622 0.130232 0.453346 Mn\n0.624046 0.888389 0.569084 Mn\n0.399542 0.367397 0.117150 Mn\n0.751775 0.382988 0.786010 Mn\n0.902414 0.632870 0.544338 Mn\n0.710318 0.116359 0.099402 Mn\n0.957534 0.877509 0.219377 Mn\n0.050378 0.629205 0.772869 B\n0.062291 0.876915 0.451292 B\n0.284514 0.378608 0.891161 B\n0.373009 0.638539 0.442430 B\n0.273682 0.116691 0.225010 B\n0.624639 0.130901 0.879915 B\n0.395518 0.873457 0.104455 B\n0.732698 0.870407 0.795073 B\n0.608670 0.378890 0.551288 B\n0.740477 0.622047 0.126219 B\n0.940471 0.134693 0.549267 B\n0.933809 0.368901 0.210074 B\n0.125692 0.340785 0.803171 O\n0.197849 0.377350 0.976531 O\n0.220656 0.686897 0.852332 O\n0.103904 0.628574 0.681991 O\n0.994952 0.166598 0.457522 O\n0.126259 0.135591 0.629858 O\n0.118016 0.596958 0.442082 O\n0.016816 0.067113 0.217409 O\n0.379576 0.073219 0.872097 O\n0.295146 0.946278 0.473812 O\n0.153276 0.444176 0.202795 O\n0.539393 0.419839 0.889388 O\n0.302171 0.817935 0.184031 O\n0.653903 0.835089 0.882362 O\n0.243184 0.899129 0.018565 O\n0.577733 0.846217 0.707572 O\n0.433352 0.318814 0.473176 O\n0.577857 0.365573 0.644285 O\n0.525861 0.672972 0.534374 O\n0.462946 0.641995 0.358440 O\n0.342358 0.157676 0.137477 O\n0.678713 0.190036 0.793467 O\n0.432307 0.122734 0.312654 O\n0.800677 0.131027 0.962859 O\n0.819274 0.572787 0.792483 O\n0.506660 0.572878 0.138587 O\n0.686701 0.098351 0.555056 O\n0.970034 0.932842 0.802047 O\n0.652024 0.913010 0.120256 O\n0.811248 0.449471 0.524163 O\n0.968339 0.821230 0.530621 O\n0.929737 0.860399 0.359511 O\n0.785393 0.322326 0.121805 O\n0.870142 0.338159 0.296087 O\n0.893603 0.682689 0.211788 O\n0.831295 0.604614 0.043748 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1089642267685638,
"density_atomic": 0.08784882450034544,
"volume": 751.2906447568969,
"volume_molar": 6.855118203632104,
"formula_full": "Li6 Mn12 B12 O36",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -539.8069688,
"energy_per_atom": -8.178893466666667,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.925000Z",
"spacegroup": 1
},
{
"id": "mp-1074844",
"created_at": "2022-09-04T14:47:57.977512Z",
"structure_string": "Mg14 Si8\n1.0\n5.111995 0.000000 0.000000\n-0.024629 5.945737 0.000000\n-2.327281 -0.970139 14.097782\nMg Si\n14 8\ndirect\n0.316725 0.863300 0.889958 Mg\n0.912729 0.571003 0.641131 Mg\n0.354535 0.426263 0.526297 Mg\n0.265319 0.102162 0.704228 Mg\n0.315182 0.367998 0.894201 Mg\n0.215305 0.655055 0.303505 Mg\n0.202054 0.158100 0.303040 Mg\n0.289090 0.920485 0.506346 Mg\n0.843751 0.625152 0.953684 Mg\n0.845158 0.126527 0.975237 Mg\n0.395526 0.148794 0.101384 Mg\n0.439204 0.649425 0.102029 Mg\n0.759316 0.702696 0.429762 Mg\n0.806152 0.208117 0.445021 Mg\n0.954229 0.863739 0.137203 Si\n0.782669 0.302551 0.789081 Si\n0.454268 0.586847 0.726809 Si\n0.688746 0.390416 0.266310 Si\n0.945824 0.432848 0.135316 Si\n0.791422 0.887307 0.788030 Si\n0.746851 0.055229 0.620633 Si\n0.679546 0.955894 0.264484 Si\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.1893504228481815,
"density_atomic": 0.05134235377147499,
"volume": 428.4961320223472,
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"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -63.47093457,
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"updated_at": "2021-11-28T01:38:17.916000Z",
"spacegroup": 1
},
{
"id": "mp-5948",
"created_at": "2022-09-04T14:47:57.988748Z",
"structure_string": "Th1 Cu2 Si2\n1.0\n-2.053261 2.053261 4.932603\n2.053261 -2.053261 4.932603\n2.053261 2.053261 -4.932603\nTh Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.621439 0.621439 0.000000 Si\n0.378561 0.378561 0.000000 Si\n",
"nsites": 5,
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"elements": [
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"Cu",
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],
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"density": 8.290632540647609,
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"formula_full": "Th1 Cu2 Si2",
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"updated_at": "2021-11-28T01:38:25.296000Z",
"spacegroup": 139
},
{
"id": "mp-1174010",
"created_at": "2022-09-04T14:47:57.997564Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n-3.027597 0.000000 0.000000\n1.144754 4.950777 0.000000\n-0.460673 -2.264429 -12.185954\nLi Mn Co O\n6 2 2 10\ndirect\n0.603507 0.198579 0.202610 Li\n0.200945 0.393814 0.399542 Li\n0.799055 0.606186 0.600458 Li\n0.396493 0.801421 0.797390 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.304093 0.602394 0.103004 Mn\n0.695907 0.397606 0.896996 Mn\n0.910688 0.809508 0.310421 Co\n0.089312 0.190492 0.689579 Co\n0.965879 0.884798 0.160974 O\n0.558591 0.072545 0.347138 O\n0.153974 0.299511 0.564478 O\n0.762417 0.478662 0.751029 O\n0.373488 0.690855 0.954628 O\n0.237583 0.521338 0.248971 O\n0.846026 0.700489 0.435522 O\n0.441409 0.927455 0.652862 O\n0.034121 0.115202 0.839026 O\n0.626512 0.309145 0.045372 O\n",
"nsites": 20,
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"elements": [
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"Co",
"O"
],
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"density": 3.903574319291154,
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"volume": 182.65474773465237,
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"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -130.8961604,
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"spacegroup": 2
},
{
"id": "mp-568385",
"created_at": "2022-09-04T14:47:57.998066Z",
"structure_string": "Sr6 Li6 Ga6 N12\n1.0\n5.133228 3.063475 0.000000\n-5.133228 3.063475 0.000000\n0.000000 0.305237 12.741351\nSr Li Ga N\n6 6 6 12\ndirect\n0.947526 0.947526 0.256586 Sr\n0.820787 0.179213 0.500000 Sr\n0.179213 0.820787 0.500000 Sr\n0.166060 0.833940 0.000000 Sr\n0.833940 0.166060 0.000000 Sr\n0.052474 0.052474 0.743414 Sr\n0.812892 0.447103 0.318009 Li\n0.187108 0.552897 0.681991 Li\n0.447103 0.812892 0.318009 Li\n0.594956 0.594956 0.081118 Li\n0.552897 0.187108 0.681991 Li\n0.405044 0.405044 0.918882 Li\n0.488879 0.813822 0.812498 Ga\n0.813822 0.488879 0.812498 Ga\n0.511121 0.186178 0.187502 Ga\n0.391766 0.391766 0.411352 Ga\n0.608234 0.608234 0.588648 Ga\n0.186178 0.511121 0.187502 Ga\n0.455284 0.137371 0.343142 N\n0.748719 0.748719 0.891251 N\n0.503226 0.147414 0.850965 N\n0.251281 0.251281 0.108749 N\n0.137371 0.455284 0.343142 N\n0.544716 0.862629 0.656858 N\n0.852586 0.496774 0.149035 N\n0.147414 0.503226 0.850965 N\n0.719372 0.719372 0.433112 N\n0.280628 0.280628 0.566888 N\n0.496774 0.852586 0.149035 N\n0.862629 0.544716 0.656858 N\n",
"nsites": 30,
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"elements": [
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"Ga",
"N"
],
"chemical_system": "Ga-Li-N-Sr",
"density": 4.781051144861461,
"density_atomic": 0.07486363046267092,
"volume": 400.72862903648297,
"volume_molar": 8.044147368731746,
"formula_full": "Sr6 Li6 Ga6 N12",
"formula_reduced": "SrLiGaN2",
"formula_anonymous": "ABCD2",
"energy": -161.66248321999998,
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"updated_at": "2021-11-28T01:38:17.762000Z",
"spacegroup": 12
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{
"id": "mp-1212902",
"created_at": "2022-09-04T14:47:58.002725Z",
"structure_string": "Dy16 Mg4 Ni4\n1.0\n0.000000 6.814957 6.814957\n6.814957 0.000000 6.814957\n6.814957 6.814957 0.000000\nDy Mg Ni\n16 4 4\ndirect\n0.345868 0.345868 0.345868 Dy\n0.345868 0.345868 0.962395 Dy\n0.345868 0.962395 0.345868 Dy\n0.962395 0.345868 0.345868 Dy\n0.812918 0.187082 0.187082 Dy\n0.187082 0.812918 0.812918 Dy\n0.187082 0.812918 0.187082 Dy\n0.812918 0.187082 0.812918 Dy\n0.187082 0.187082 0.812918 Dy\n0.812918 0.812918 0.187082 Dy\n0.934786 0.565214 0.565214 Dy\n0.565214 0.934786 0.934786 Dy\n0.565214 0.934786 0.565214 Dy\n0.934786 0.565214 0.934786 Dy\n0.565214 0.565214 0.934786 Dy\n0.934786 0.934786 0.565214 Dy\n0.580059 0.580059 0.580059 Mg\n0.580059 0.580059 0.259824 Mg\n0.580059 0.259824 0.580059 Mg\n0.259824 0.580059 0.580059 Mg\n0.141596 0.141596 0.141596 Ni\n0.141596 0.141596 0.575213 Ni\n0.141596 0.575213 0.141596 Ni\n0.575213 0.141596 0.141596 Ni\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Dy-Mg-Ni",
"density": 7.691176184173136,
"density_atomic": 0.03791332609216331,
"volume": 633.0228042155553,
"volume_molar": 15.883968463649982,
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{
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}