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{
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"results": [
{
"id": "mp-1218397",
"created_at": "2022-09-04T14:41:50.193690Z",
"structure_string": "Sr5 Zn1 Cd4\n1.0\n4.055793 0.000000 0.000000\n0.000000 4.055793 0.000000\n0.000000 0.000000 20.046464\nSr Zn Cd\n5 1 4\ndirect\n0.500000 0.500000 0.096082 Sr\n0.500000 0.500000 0.299669 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.700331 Sr\n0.500000 0.500000 0.903918 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.199599 Cd\n0.000000 0.000000 0.399974 Cd\n0.000000 0.000000 0.600026 Cd\n0.000000 0.000000 0.800401 Cd\n",
"nsites": 10,
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"elements": [
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"density": 4.799791535741745,
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"volume": 329.75344474046966,
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"formula_full": "Sr5 Zn1 Cd4",
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"spacegroup": 123
},
{
"id": "mp-1094297",
"created_at": "2022-09-04T14:45:28.082255Z",
"structure_string": "Sr3 Mg1\n1.0\n-2.158975 3.338585 6.455292\n2.158975 -3.338585 6.455292\n2.158975 3.338585 -6.455292\nSr Mg\n3 1\ndirect\n0.905076 0.500000 0.405076 Sr\n0.233969 0.284785 0.949184 Sr\n0.664399 0.715215 0.949184 Sr\n0.363222 0.000000 0.363222 Mg\n",
"nsites": 4,
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"elements": [
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"density": 2.5620916990564546,
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"volume": 186.11695328305333,
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"updated_at": "2021-11-28T01:36:54.564000Z",
"spacegroup": 44
},
{
"id": "mp-1185597",
"created_at": "2022-09-04T14:45:09.491884Z",
"structure_string": "Mg149 Ga1\n1.0\n13.768887 -7.949475 0.000000\n-0.000000 15.898949 -0.000000\n0.000000 0.000000 15.541426\nMg Ga\n149 1\ndirect\n0.198112 0.000896 0.000000 Mg\n0.802784 0.000896 0.000000 Mg\n0.198112 0.197215 0.000000 Mg\n0.999104 0.197215 0.000000 Mg\n0.399215 0.199608 0.000000 Mg\n0.800392 0.199608 0.000000 Mg\n0.599899 0.199797 0.000000 Mg\n0.199250 0.398499 0.000000 Mg\n0.399485 0.399543 0.000000 Mg\n0.000059 0.399543 0.000000 Mg\n0.599899 0.400101 0.000000 Mg\n0.800203 0.400101 0.000000 Mg\n0.199770 0.599886 0.000000 Mg\n0.400114 0.599886 0.000000 Mg\n0.600457 0.600515 0.000000 Mg\n0.000059 0.600515 0.000000 Mg\n0.800392 0.600785 0.000000 Mg\n0.400114 0.800230 0.000000 Mg\n0.199250 0.800750 0.000000 Mg\n0.601500 0.800750 0.000000 Mg\n0.802784 0.801887 0.000000 Mg\n0.999104 0.801888 0.000000 Mg\n0.399485 0.999941 0.000000 Mg\n0.600457 0.999942 0.000000 Mg\n0.065732 0.131463 0.164720 Mg\n0.868537 0.934268 0.164720 Mg\n0.065732 0.934268 0.164720 Mg\n0.266134 0.332417 0.166085 Mg\n0.066284 0.332417 0.166085 Mg\n0.066284 0.733866 0.166085 Mg\n0.667583 0.733866 0.166085 Mg\n0.266134 0.933716 0.166085 Mg\n0.667583 0.933717 0.166085 Mg\n0.666582 0.133277 0.166447 Mg\n0.466696 0.133278 0.166447 Mg\n0.466696 0.333418 0.166447 Mg\n0.866722 0.333418 0.166447 Mg\n0.866722 0.533303 0.166447 Mg\n0.666582 0.533304 0.166447 Mg\n0.666667 0.333333 0.166595 Mg\n0.466670 0.533329 0.166371 Mg\n0.066658 0.533330 0.166371 Mg\n0.466670 0.933342 0.166371 Mg\n0.266512 0.533025 0.166554 Mg\n0.266512 0.733488 0.166554 Mg\n0.466975 0.733488 0.166554 Mg\n0.866343 0.133656 0.167112 Mg\n0.267313 0.133657 0.167112 Mg\n0.866343 0.732687 0.167112 Mg\n0.000000 0.000000 0.332622 Mg\n0.199414 0.999830 0.333133 Mg\n0.800416 0.999830 0.333133 Mg\n0.000169 0.199584 0.333133 Mg\n0.199414 0.199584 0.333133 Mg\n0.800416 0.800585 0.333133 Mg\n0.000169 0.800586 0.333133 Mg\n0.199924 0.399848 0.333038 Mg\n0.199924 0.800076 0.333038 Mg\n0.600152 0.800076 0.333038 Mg\n0.600270 0.999992 0.333141 Mg\n0.399722 0.999992 0.333141 Mg\n0.399722 0.399730 0.333141 Mg\n0.000008 0.399730 0.333141 Mg\n0.600270 0.600278 0.333141 Mg\n0.000008 0.600277 0.333141 Mg\n0.600031 0.200063 0.333107 Mg\n0.600031 0.399969 0.333107 Mg\n0.799937 0.399969 0.333107 Mg\n0.800052 0.199948 0.333285 Mg\n0.399897 0.199948 0.333285 Mg\n0.800052 0.600104 0.333285 Mg\n0.200048 0.600024 0.333225 Mg\n0.399976 0.600024 0.333225 Mg\n0.399976 0.799951 0.333225 Mg\n0.066502 0.133002 0.500000 Mg\n0.866796 0.133204 0.500000 Mg\n0.266410 0.133204 0.500000 Mg\n0.466693 0.133220 0.500000 Mg\n0.666528 0.133220 0.500000 Mg\n0.066409 0.333039 0.500000 Mg\n0.266631 0.333039 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866781 0.333473 0.500000 Mg\n0.466693 0.333473 0.500000 Mg\n0.866781 0.533307 0.500000 Mg\n0.666528 0.533307 0.500000 Mg\n0.266523 0.533045 0.500000 Mg\n0.066499 0.533250 0.500000 Mg\n0.466750 0.533250 0.500000 Mg\n0.466955 0.733477 0.500000 Mg\n0.266523 0.733478 0.500000 Mg\n0.666961 0.733369 0.500000 Mg\n0.066409 0.733369 0.500000 Mg\n0.866796 0.733591 0.500000 Mg\n0.466750 0.933500 0.500000 Mg\n0.866998 0.933499 0.500000 Mg\n0.066502 0.933499 0.500000 Mg\n0.266631 0.933592 0.500000 Mg\n0.666961 0.933592 0.500000 Mg\n0.200048 0.600024 0.666774 Mg\n0.399976 0.600024 0.666774 Mg\n0.399976 0.799951 0.666774 Mg\n0.800052 0.199948 0.666715 Mg\n0.399897 0.199948 0.666715 Mg\n0.800052 0.600104 0.666715 Mg\n0.600031 0.200063 0.666893 Mg\n0.600031 0.399969 0.666893 Mg\n0.799937 0.399969 0.666893 Mg\n0.600270 0.999992 0.666859 Mg\n0.399722 0.999992 0.666859 Mg\n0.399722 0.399730 0.666859 Mg\n0.000008 0.399730 0.666859 Mg\n0.600270 0.600278 0.666859 Mg\n0.000008 0.600277 0.666859 Mg\n0.199924 0.399848 0.666962 Mg\n0.199924 0.800076 0.666962 Mg\n0.600152 0.800076 0.666962 Mg\n0.199414 0.999830 0.666867 Mg\n0.800416 0.999830 0.666867 Mg\n0.000169 0.199584 0.666867 Mg\n0.199414 0.199584 0.666867 Mg\n0.800416 0.800585 0.666867 Mg\n0.000169 0.800586 0.666867 Mg\n0.000000 0.000000 0.667378 Mg\n0.866343 0.133656 0.832888 Mg\n0.267313 0.133657 0.832888 Mg\n0.866343 0.732687 0.832888 Mg\n0.266512 0.533025 0.833446 Mg\n0.266512 0.733488 0.833446 Mg\n0.466975 0.733488 0.833446 Mg\n0.466670 0.533329 0.833629 Mg\n0.066658 0.533330 0.833629 Mg\n0.466670 0.933342 0.833629 Mg\n0.666667 0.333333 0.833405 Mg\n0.666582 0.133277 0.833552 Mg\n0.466696 0.133278 0.833552 Mg\n0.466696 0.333418 0.833552 Mg\n0.866722 0.333418 0.833552 Mg\n0.866722 0.533303 0.833552 Mg\n0.666582 0.533304 0.833552 Mg\n0.266134 0.332417 0.833915 Mg\n0.066284 0.332417 0.833915 Mg\n0.066284 0.733866 0.833915 Mg\n0.667583 0.733866 0.833915 Mg\n0.266134 0.933716 0.833915 Mg\n0.667583 0.933717 0.833915 Mg\n0.065732 0.131463 0.835280 Mg\n0.868537 0.934268 0.835280 Mg\n0.065732 0.934268 0.835280 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 1.8015851473072235,
"density_atomic": 0.044089293762673856,
"volume": 3402.1864992310334,
"volume_molar": 13.658963993427278,
"formula_full": "Mg149 Ga1",
"formula_reduced": "Mg149Ga",
"formula_anonymous": "AB149",
"energy": -245.82917071,
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"energy_above_hull": null,
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"energy_uncorrected": -245.82917071,
"band_gap": 0.4813999999999998,
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"updated_at": "2021-11-28T01:36:47.083000Z",
"spacegroup": 187
},
{
"id": "mp-1093746",
"created_at": "2022-09-04T14:39:08.717368Z",
"structure_string": "Na1 Ag2 Pd1\n1.0\n-5.482731 6.157979 8.715292\n5.482731 -6.157979 8.715292\n5.482731 6.157979 -8.715292\nNa Ag Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.259842 0.259842 Ag\n0.000000 0.740158 0.740158 Ag\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ag",
"Pd"
],
"chemical_system": "Ag-Na-Pd",
"density": 0.4869395826709787,
"density_atomic": 0.0033984658912378026,
"volume": 1177.0016613417015,
"volume_molar": 177.2017419838394,
"formula_full": "Na1 Ag2 Pd1",
"formula_reduced": "NaAg2Pd",
"formula_anonymous": "ABC2",
"energy": -6.5554605,
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"energy_uncorrected": -6.5554605,
"band_gap": 0.0519999999999996,
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"updated_at": "2021-11-28T01:34:34.096000Z",
"spacegroup": 71
},
{
"id": "mp-1187930",
"created_at": "2022-09-04T14:42:12.515391Z",
"structure_string": "Yb2 Zn1 Hg1\n1.0\n0.000000 3.677181 3.677181\n3.677181 0.000000 3.677181\n3.677181 3.677181 0.000000\nYb Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Hg-Yb-Zn",
"density": 10.220721601660129,
"density_atomic": 0.040223973817262504,
"volume": 99.44318326607905,
"volume_molar": 14.971521181270113,
"formula_full": "Yb2 Zn1 Hg1",
"formula_reduced": "Yb2ZnHg",
"formula_anonymous": "ABC2",
"energy": -6.55661778,
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"updated_at": "2021-11-28T01:35:37.125000Z",
"spacegroup": 225
},
{
"id": "mp-1028177",
"created_at": "2022-09-04T14:43:13.279734Z",
"structure_string": "Li1 Ca1 Mg14\n1.0\n6.526270 0.000000 0.000000\n-3.263135 5.651915 0.000000\n-0.000000 0.000000 10.315115\nLi Ca Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Li\n0.166667 0.333333 0.125000 Ca\n0.172182 0.836090 0.125000 Mg\n0.167875 0.833937 0.625000 Mg\n0.663910 0.327818 0.125000 Mg\n0.666063 0.332125 0.625000 Mg\n0.663910 0.836090 0.125000 Mg\n0.666063 0.833937 0.625000 Mg\n0.334599 0.165401 0.381298 Mg\n0.334599 0.165401 0.868702 Mg\n0.334599 0.669199 0.381298 Mg\n0.334599 0.669199 0.868702 Mg\n0.830801 0.165401 0.381298 Mg\n0.830801 0.165401 0.868702 Mg\n0.833333 0.666667 0.372075 Mg\n0.833333 0.666667 0.877925 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Mg"
],
"chemical_system": "Ca-Li-Mg",
"density": 1.690244480662386,
"density_atomic": 0.042051863842782394,
"volume": 380.4825407934011,
"volume_molar": 14.320746358626899,
"formula_full": "Li1 Ca1 Mg14",
"formula_reduced": "LiCaMg14",
"formula_anonymous": "ABC14",
"energy": -26.23467691,
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"total_magnetization": 1.56e-05,
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"updated_at": "2021-11-28T01:36:11.149000Z",
"spacegroup": 187
},
{
"id": "mp-1211433",
"created_at": "2022-09-04T14:48:04.552866Z",
"structure_string": "Li12 Yb34 Hg18\n1.0\n-7.747006 7.747006 7.747006\n7.747006 -7.747006 7.747006\n7.747006 7.747006 -7.747006\nLi Yb Hg\n12 34 18\ndirect\n0.304854 0.152427 0.152427 Li\n0.695146 0.847573 0.847573 Li\n0.000000 0.152427 0.847573 Li\n0.000000 0.847573 0.152427 Li\n0.152427 0.304854 0.152427 Li\n0.847573 0.000000 0.152427 Li\n0.847573 0.695146 0.847573 Li\n0.152427 0.000000 0.847573 Li\n0.152427 0.152427 0.304854 Li\n0.847573 0.847573 0.695146 Li\n0.847573 0.152427 0.000000 Li\n0.152427 0.847573 0.000000 Li\n0.454613 0.454613 0.263203 Yb\n0.545387 0.545387 0.736797 Yb\n0.191411 0.191411 0.736797 Yb\n0.808589 0.545387 0.000000 Yb\n0.263203 0.454613 0.454613 Yb\n0.808589 0.808589 0.263203 Yb\n0.191411 0.454613 0.000000 Yb\n0.736797 0.545387 0.545387 Yb\n0.545387 0.808589 0.000000 Yb\n0.736797 0.191411 0.191411 Yb\n0.454613 0.191411 0.000000 Yb\n0.263203 0.808589 0.808589 Yb\n0.000000 0.808589 0.545387 Yb\n0.000000 0.191411 0.454613 Yb\n0.000000 0.545387 0.808589 Yb\n0.000000 0.454613 0.191411 Yb\n0.454613 0.263203 0.454613 Yb\n0.191411 0.000000 0.454613 Yb\n0.545387 0.736797 0.545387 Yb\n0.808589 0.000000 0.545387 Yb\n0.545387 0.000000 0.808589 Yb\n0.454613 0.000000 0.191411 Yb\n0.808589 0.263203 0.808589 Yb\n0.191411 0.736797 0.191411 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.500000 0.750000 0.250000 Yb\n0.500000 0.250000 0.750000 Yb\n0.250000 0.500000 0.750000 Yb\n0.750000 0.500000 0.250000 Yb\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.587718 0.293859 0.293859 Hg\n0.412282 0.706141 0.706141 Hg\n0.000000 0.293859 0.706141 Hg\n0.000000 0.706141 0.293859 Hg\n0.293859 0.587718 0.293859 Hg\n0.706141 0.000000 0.293859 Hg\n0.706141 0.412282 0.706141 Hg\n0.293859 0.000000 0.706141 Hg\n0.293859 0.293859 0.587718 Hg\n0.706141 0.706141 0.412282 Hg\n0.706141 0.293859 0.000000 Hg\n0.293859 0.706141 0.000000 Hg\n0.000000 0.245159 0.245159 Hg\n0.000000 0.754841 0.754841 Hg\n0.245159 0.000000 0.245159 Hg\n0.754841 0.000000 0.754841 Hg\n0.245159 0.245159 0.000000 Hg\n0.754841 0.754841 0.000000 Hg\n",
"nsites": 64,
"nelements": 3,
"elements": [
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"Yb",
"Hg"
],
"chemical_system": "Hg-Li-Yb",
"density": 8.55124306000534,
"density_atomic": 0.03441266491627026,
"volume": 1859.7804080479946,
"volume_molar": 17.499780312430094,
"formula_full": "Li12 Yb34 Hg18",
"formula_reduced": "Li6Yb17Hg9",
"formula_anonymous": "A6B9C17",
"energy": -104.94362372,
"energy_per_atom": -1.639744120625,
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"total_magnetization": 0.1006493,
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"updated_at": "2021-11-28T01:38:26.768000Z",
"spacegroup": 229
},
{
"id": "mp-1016276",
"created_at": "2022-09-04T14:45:42.085019Z",
"structure_string": "Ca1 Mg7\n1.0\n3.323864 -5.757102 0.000000\n3.323864 5.757102 0.000000\n0.000000 0.000000 5.257563\nCa Mg\n1 7\ndirect\n0.000000 0.000000 0.500000 Ca\n0.004628 0.502314 0.500000 Mg\n0.497686 0.502314 0.500000 Mg\n0.497686 0.995372 0.500000 Mg\n0.170198 0.340396 0.000000 Mg\n0.170198 0.829802 0.000000 Mg\n0.659604 0.829802 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7347904262247023,
"density_atomic": 0.03975834849199951,
"volume": 201.21560133741028,
"volume_molar": 15.146858429524114,
"formula_full": "Ca1 Mg7",
"formula_reduced": "CaMg7",
"formula_anonymous": "AB7",
"energy": -13.11909941,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:12.272000Z",
"spacegroup": 187
},
{
"id": "mp-980191",
"created_at": "2022-09-04T14:46:25.502471Z",
"structure_string": "Ba1 Sr1 Yb2\n1.0\n0.000000 4.618123 4.618123\n4.618123 0.000000 4.618123\n4.618123 4.618123 0.000000\nBa Sr Yb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n",
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"elements": [
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"Sr",
"Yb"
],
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"updated_at": "2021-11-28T01:37:33.528000Z",
"spacegroup": 225
},
{
"id": "mp-1345071",
"created_at": "2022-09-04T14:47:15.628307Z",
"structure_string": "Na3 V5 Se10\n1.0\n6.200443 0.000000 0.000000\n-1.976703 8.235163 0.000000\n-1.044090 -4.131102 8.024098\nNa V Se\n3 5 10\ndirect\n0.653984 0.490151 0.998456 Na\n0.424247 0.501203 0.597762 Na\n0.263185 0.504741 0.205218 Na\n0.970594 0.998943 0.985393 V\n0.806075 0.006821 0.611996 V\n0.636462 0.999673 0.202645 V\n0.434233 0.997801 0.790408 V\n0.169914 0.998658 0.409999 V\n0.971195 0.210211 0.110592 Se\n0.765423 0.224648 0.704996 Se\n0.837430 0.788610 0.494140 Se\n0.553485 0.186005 0.324393 Se\n0.644898 0.785876 0.087731 Se\n0.361129 0.180469 0.921596 Se\n0.445140 0.793531 0.680261 Se\n0.159605 0.206261 0.520418 Se\n0.244895 0.823038 0.272306 Se\n0.058146 0.803661 0.881570 Se\n",
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"elements": [
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"V",
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],
"chemical_system": "Na-Se-V",
"density": 4.511917146591,
"density_atomic": 0.04393203913895084,
"volume": 409.7237540708852,
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"formula_full": "Na3 V5 Se10",
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"updated_at": "2021-11-28T01:38:05.167000Z",
"spacegroup": 1
},
{
"id": "mp-1093960",
"created_at": "2022-09-04T14:47:06.884023Z",
"structure_string": "Y1 Sc1 Hg2\n1.0\n-5.991504 6.644657 8.867584\n5.991504 -6.644657 8.867584\n5.991504 6.644657 -8.867584\nY Sc Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.242172 0.242172 Hg\n0.000000 0.757828 0.757828 Hg\n",
"nsites": 4,
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"elements": [
"Y",
"Sc",
"Hg"
],
"chemical_system": "Hg-Sc-Y",
"density": 0.6291628277519016,
"density_atomic": 0.0028326066337909157,
"volume": 1412.1268912820224,
"volume_molar": 212.6006727570389,
"formula_full": "Y1 Sc1 Hg2",
"formula_reduced": "YScHg2",
"formula_anonymous": "ABC2",
"energy": -6.56183445,
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"updated_at": "2021-11-28T01:37:57.864000Z",
"spacegroup": 71
},
{
"id": "mp-1185638",
"created_at": "2022-09-04T14:41:05.821130Z",
"structure_string": "Mg149 Te1\n1.0\n13.773927 -7.952384 0.000000\n0.000000 15.904769 -0.000000\n-0.000000 -0.000000 15.573247\nMg Te\n149 1\ndirect\n0.797284 0.001482 -0.000000 Mg\n0.204198 0.001482 -0.000000 Mg\n0.400461 0.200231 -0.000000 Mg\n0.799769 0.200231 -0.000000 Mg\n0.600312 0.200625 -0.000000 Mg\n0.204198 0.202716 -0.000000 Mg\n0.998518 0.202715 -0.000000 Mg\n0.199644 0.399288 -0.000000 Mg\n0.799375 0.399687 -0.000000 Mg\n0.600312 0.399688 -0.000000 Mg\n0.000336 0.401362 -0.000000 Mg\n0.401026 0.401362 -0.000000 Mg\n0.598638 0.598973 -0.000000 Mg\n0.000336 0.598974 -0.000000 Mg\n0.799769 0.599539 -0.000000 Mg\n0.399704 0.600296 -0.000000 Mg\n0.200592 0.600296 -0.000000 Mg\n0.797284 0.795802 -0.000000 Mg\n0.998518 0.795803 -0.000000 Mg\n0.399704 0.799408 -0.000000 Mg\n0.199644 0.800356 -0.000000 Mg\n0.600713 0.800356 -0.000000 Mg\n0.598638 0.999664 -0.000000 Mg\n0.401026 0.999665 -0.000000 Mg\n0.666666 0.333333 0.166238 Mg\n0.666678 0.133374 0.166205 Mg\n0.466697 0.133374 0.166205 Mg\n0.466697 0.333322 0.166205 Mg\n0.866626 0.333322 0.166205 Mg\n0.666678 0.533303 0.166205 Mg\n0.866626 0.533304 0.166205 Mg\n0.266593 0.533186 0.166341 Mg\n0.466813 0.733407 0.166341 Mg\n0.266593 0.733407 0.166341 Mg\n0.266672 0.332963 0.166285 Mg\n0.066291 0.332964 0.166285 Mg\n0.066291 0.733327 0.166285 Mg\n0.667036 0.733327 0.166285 Mg\n0.667036 0.933708 0.166285 Mg\n0.266672 0.933709 0.166285 Mg\n0.466534 0.533467 0.166552 Mg\n0.066932 0.533467 0.166552 Mg\n0.466534 0.933068 0.166552 Mg\n0.266872 0.133436 0.167252 Mg\n0.866564 0.133437 0.167252 Mg\n0.866564 0.733128 0.167252 Mg\n0.067185 0.134369 0.169660 Mg\n0.067185 0.932816 0.169660 Mg\n0.865631 0.932816 0.169660 Mg\n-0.000000 0.000000 0.332676 Mg\n0.199813 0.399624 0.332679 Mg\n0.199813 0.800188 0.332679 Mg\n0.600376 0.800188 0.332679 Mg\n0.800011 0.199989 0.332895 Mg\n0.399977 0.199989 0.332895 Mg\n0.800011 0.600023 0.332895 Mg\n0.600222 0.200446 0.332907 Mg\n0.600222 0.399777 0.332907 Mg\n0.799554 0.399777 0.332907 Mg\n0.200322 0.600162 0.333005 Mg\n0.399838 0.600162 0.333005 Mg\n0.399838 0.799678 0.333005 Mg\n0.399995 -0.000014 0.333303 Mg\n0.599991 -0.000014 0.333303 Mg\n0.399995 0.400009 0.333303 Mg\n0.000014 0.400009 0.333303 Mg\n0.599991 0.600005 0.333303 Mg\n0.000014 0.600005 0.333303 Mg\n0.799854 0.000105 0.334386 Mg\n0.200252 0.000106 0.334386 Mg\n0.200252 0.200146 0.334386 Mg\n0.999894 0.200146 0.334386 Mg\n0.999894 0.799748 0.334386 Mg\n0.799854 0.799748 0.334386 Mg\n0.066495 0.132990 0.500000 Mg\n0.666532 0.133207 0.500000 Mg\n0.466677 0.133208 0.500000 Mg\n0.266895 0.133447 0.500000 Mg\n0.866552 0.133447 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866792 0.333468 0.500000 Mg\n0.466677 0.333468 0.500000 Mg\n0.066845 0.333441 0.500000 Mg\n0.266597 0.333441 0.500000 Mg\n0.866792 0.533323 0.500000 Mg\n0.666532 0.533323 0.500000 Mg\n0.466621 0.533379 0.500000 Mg\n0.066756 0.533379 0.500000 Mg\n0.266643 0.533286 0.500000 Mg\n0.866552 0.733104 0.500000 Mg\n0.466714 0.733357 0.500000 Mg\n0.266643 0.733357 0.500000 Mg\n0.666560 0.733403 0.500000 Mg\n0.066845 0.733403 0.500000 Mg\n0.466621 0.933243 0.500000 Mg\n0.666560 0.933156 0.500000 Mg\n0.266597 0.933156 0.500000 Mg\n0.867011 0.933506 0.500000 Mg\n0.066495 0.933506 0.500000 Mg\n0.799854 0.000105 0.665614 Mg\n0.200252 0.000106 0.665614 Mg\n0.200252 0.200146 0.665614 Mg\n0.999894 0.200146 0.665614 Mg\n0.999894 0.799748 0.665614 Mg\n0.799854 0.799748 0.665614 Mg\n0.399995 -0.000014 0.666696 Mg\n0.599991 -0.000014 0.666696 Mg\n0.399995 0.400009 0.666696 Mg\n0.000014 0.400009 0.666696 Mg\n0.599991 0.600005 0.666696 Mg\n0.000014 0.600005 0.666696 Mg\n0.200322 0.600162 0.666994 Mg\n0.399838 0.600162 0.666994 Mg\n0.399838 0.799678 0.666994 Mg\n0.600222 0.200446 0.667093 Mg\n0.600222 0.399777 0.667093 Mg\n0.799554 0.399777 0.667093 Mg\n0.800011 0.199989 0.667105 Mg\n0.399977 0.199989 0.667105 Mg\n0.800011 0.600023 0.667105 Mg\n0.199813 0.399624 0.667321 Mg\n0.199813 0.800188 0.667321 Mg\n0.600376 0.800188 0.667321 Mg\n-0.000000 0.000000 0.667324 Mg\n0.067185 0.134369 0.830340 Mg\n0.067185 0.932816 0.830340 Mg\n0.865631 0.932816 0.830340 Mg\n0.266872 0.133436 0.832748 Mg\n0.866564 0.133437 0.832748 Mg\n0.866564 0.733128 0.832748 Mg\n0.466534 0.533467 0.833448 Mg\n0.066932 0.533467 0.833448 Mg\n0.466534 0.933068 0.833448 Mg\n0.266672 0.332963 0.833714 Mg\n0.066291 0.332964 0.833714 Mg\n0.066291 0.733327 0.833714 Mg\n0.667036 0.733327 0.833714 Mg\n0.667036 0.933708 0.833714 Mg\n0.266672 0.933709 0.833714 Mg\n0.266593 0.533186 0.833659 Mg\n0.466813 0.733407 0.833659 Mg\n0.266593 0.733407 0.833659 Mg\n0.666678 0.133374 0.833796 Mg\n0.466697 0.133374 0.833796 Mg\n0.466697 0.333322 0.833796 Mg\n0.866626 0.333322 0.833796 Mg\n0.666678 0.533303 0.833796 Mg\n0.866626 0.533304 0.833796 Mg\n0.666666 0.333333 0.833762 Mg\n-0.000000 0.000000 -0.000000 Te\n",
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"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Mg-Te",
"density": 1.824758671746656,
"density_atomic": 0.04396701124454312,
"volume": 3411.6487737978086,
"volume_molar": 13.696952759661203,
"formula_full": "Mg149 Te1",
"formula_reduced": "Mg149Te",
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"energy": -246.20480254,
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"updated_at": "2021-11-28T01:35:09.950000Z",
"spacegroup": 187
}
]
}