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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=127",
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"results": [
{
"id": "mp-1026533",
"created_at": "2022-09-04T14:41:03.571227Z",
"structure_string": "Ba1 Mg14 Cd1\n1.0\n6.636238 -0.009940 0.000000\n-3.326727 5.762060 0.000000\n0.000000 0.000000 10.559499\nBa Mg Cd\n1 14 1\ndirect\n0.166651 0.333325 0.125000 Ba\n0.166663 0.333331 0.625000 Mg\n0.163270 0.831635 0.625000 Mg\n0.659113 0.316269 0.125000 Mg\n0.668109 0.336642 0.625000 Mg\n0.659113 0.842843 0.125000 Mg\n0.668109 0.831466 0.625000 Mg\n0.338532 0.159712 0.389455 Mg\n0.338532 0.159712 0.860545 Mg\n0.338532 0.678821 0.389455 Mg\n0.338532 0.678821 0.860545 Mg\n0.820604 0.160303 0.390024 Mg\n0.820604 0.160303 0.859976 Mg\n0.833805 0.666903 0.368765 Mg\n0.833805 0.666903 0.881235 Mg\n0.186023 0.843011 0.125000 Cd\n",
"nsites": 16,
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"updated_at": "2021-11-28T01:35:23.575000Z",
"spacegroup": 38
},
{
"id": "mp-1097463",
"created_at": "2022-09-04T14:48:03.459065Z",
"structure_string": "Li1 Zn1 Cu2\n1.0\n-4.693046 4.919308 6.635100\n4.693046 -4.919308 6.635100\n4.693046 4.919308 -6.635100\nLi Zn Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n0.259414 0.000000 0.259414 Cu\n0.740586 0.000000 0.740586 Cu\n",
"nsites": 4,
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"elements": [
"Li",
"Zn",
"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.5405046421212351,
"density_atomic": 0.006528203763324393,
"volume": 612.7259725672316,
"volume_molar": 92.24805135269418,
"formula_full": "Li1 Zn1 Cu2",
"formula_reduced": "LiZnCu2",
"formula_anonymous": "ABC2",
"energy": -6.12215522,
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"energy_uncorrected": -6.12215522,
"band_gap": 0.2947000000000002,
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"total_magnetization": 1.0001093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.960000Z",
"spacegroup": 71
},
{
"id": "mp-985285",
"created_at": "2022-09-04T14:39:34.794591Z",
"structure_string": "Co1 Hg3\n1.0\n4.288468 0.000000 0.000000\n0.000000 4.288468 0.000000\n0.000000 0.000000 4.288468\nCo Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Hg"
],
"chemical_system": "Co-Hg",
"density": 13.910699949681536,
"density_atomic": 0.05071698991621011,
"volume": 78.86903395900323,
"volume_molar": 11.874010602658437,
"formula_full": "Co1 Hg3",
"formula_reduced": "CoHg3",
"formula_anonymous": "AB3",
"energy": -6.12265325,
"energy_per_atom": -1.5306633125,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.3630088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.212000Z",
"spacegroup": 221
},
{
"id": "mp-1209438",
"created_at": "2022-09-04T14:45:29.437018Z",
"structure_string": "Rb8 Bi2\n1.0\n0.000000 7.611921 7.611921\n7.611921 0.000000 7.611921\n7.611921 7.611921 0.000000\nRb Bi\n8 2\ndirect\n0.381070 0.381070 0.381070 Rb\n0.381070 0.381070 0.856790 Rb\n0.381070 0.856790 0.381070 Rb\n0.868930 0.868930 0.393210 Rb\n0.868930 0.868930 0.868930 Rb\n0.856790 0.381070 0.381070 Rb\n0.868930 0.393210 0.868930 Rb\n0.393210 0.868930 0.868930 Rb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 2.0739624817916016,
"density_atomic": 0.011336713917708631,
"volume": 882.0898253751818,
"volume_molar": 53.12069091373165,
"formula_full": "Rb8 Bi2",
"formula_reduced": "Rb4Bi",
"formula_anonymous": "AB4",
"energy": -15.30739716,
"energy_per_atom": -1.530739716,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -15.30739716,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.360000Z",
"spacegroup": 227
},
{
"id": "mp-1026653",
"created_at": "2022-09-04T14:45:34.219642Z",
"structure_string": "Na1 Mg14 Cd1\n1.0\n6.407770 0.002733 0.000000\n-3.201518 5.545192 0.000000\n0.000000 0.000000 10.396253\nNa Mg Cd\n1 14 1\ndirect\n0.166152 0.333076 0.125000 Na\n0.166444 0.333222 0.625000 Mg\n0.167096 0.833547 0.625000 Mg\n0.667037 0.331810 0.125000 Mg\n0.666499 0.332774 0.625000 Mg\n0.667037 0.835226 0.125000 Mg\n0.666499 0.833724 0.625000 Mg\n0.333571 0.165290 0.375879 Mg\n0.333571 0.165290 0.874121 Mg\n0.333571 0.668283 0.375879 Mg\n0.333571 0.668283 0.874121 Mg\n0.831833 0.165917 0.377118 Mg\n0.831833 0.165917 0.872882 Mg\n0.833788 0.666894 0.373873 Mg\n0.833788 0.666894 0.876127 Mg\n0.167709 0.833854 0.125000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 2.1377075354912263,
"density_atomic": 0.04330247395735771,
"volume": 369.49390041215815,
"volume_molar": 13.907151739021492,
"formula_full": "Na1 Mg14 Cd1",
"formula_reduced": "NaMg14Cd",
"formula_anonymous": "ABC14",
"energy": -24.49251391,
"energy_per_atom": -1.530782119375,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0004644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.274000Z",
"spacegroup": 38
},
{
"id": "mp-1096204",
"created_at": "2022-09-04T14:41:51.209315Z",
"structure_string": "Na1 Sr1 Pb2\n1.0\n-6.362609 6.946207 9.744699\n6.362609 -6.946207 9.744699\n6.362609 6.946207 -9.744699\nNa Sr Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.247288 0.247288 Pb\n0.000000 0.752712 0.752712 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Pb"
],
"chemical_system": "Na-Pb-Sr",
"density": 0.5060636053145533,
"density_atomic": 0.002321927281429428,
"volume": 1722.7068358219703,
"volume_molar": 259.3595763383529,
"formula_full": "Na1 Sr1 Pb2",
"formula_reduced": "NaSrPb2",
"formula_anonymous": "ABC2",
"energy": -6.12316045,
"energy_per_atom": -1.5307901125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.12316045,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.114000Z",
"spacegroup": 71
},
{
"id": "mp-1185026",
"created_at": "2022-09-04T14:41:23.198757Z",
"structure_string": "K1 Li3\n1.0\n-2.448963 2.448963 5.265848\n2.448963 -2.448963 5.265848\n2.448963 2.448963 -5.265848\nK Li\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.7876577794247985,
"density_atomic": 0.03166410621962061,
"volume": 126.32600371714919,
"volume_molar": 19.018824400823892,
"formula_full": "K1 Li3",
"formula_reduced": "KLi3",
"formula_anonymous": "AB3",
"energy": -6.1234375,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -6.1234375,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.915000Z",
"spacegroup": 139
},
{
"id": "mp-1094440",
"created_at": "2022-09-04T14:42:43.463985Z",
"structure_string": "Mg4 Zn2\n1.0\n1.558739 -7.734083 0.000000\n1.558739 7.734083 0.000000\n0.000000 0.000000 4.895466\nMg Zn\n4 2\ndirect\n0.445094 0.554906 0.250000 Mg\n0.775154 0.224846 0.250000 Mg\n0.224846 0.775154 0.750000 Mg\n0.554906 0.445094 0.750000 Mg\n0.111810 0.888190 0.250000 Zn\n0.888190 0.111810 0.750000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.2081159491335134,
"density_atomic": 0.050832911602696484,
"volume": 118.03376613354808,
"volume_molar": 11.846932568152459,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -9.18861687,
"energy_per_atom": -1.531436145,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"total_magnetization": 1.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.382000Z",
"spacegroup": 63
},
{
"id": "mp-975390",
"created_at": "2022-09-04T14:42:21.224209Z",
"structure_string": "Rb1 Ca3\n1.0\n0.000000 4.631368 4.631368\n4.631368 0.000000 4.631368\n4.631368 4.631368 0.000000\nRb Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Rb",
"density": 1.7192115572406015,
"density_atomic": 0.020132704716243788,
"volume": 198.68170006847896,
"volume_molar": 29.912229106212052,
"formula_full": "Rb1 Ca3",
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"updated_at": "2021-11-28T01:35:44.990000Z",
"spacegroup": 225
},
{
"id": "mp-1187979",
"created_at": "2022-09-04T14:46:10.337338Z",
"structure_string": "Yb5 Mg1\n1.0\n1.917348 6.966096 0.000000\n-1.917348 6.966096 0.000000\n0.000000 2.281605 8.422222\nYb Mg\n5 1\ndirect\n0.003711 0.003711 0.021056 Yb\n0.279589 0.279589 0.947621 Yb\n0.662244 0.662244 0.670164 Yb\n0.952697 0.952697 0.586194 Yb\n0.320805 0.320805 0.335679 Yb\n0.614284 0.614284 0.272617 Mg\n",
"nsites": 6,
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"elements": [
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"density": 6.565237035214441,
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"volume": 224.98164110654798,
"volume_molar": 22.58118518599057,
"formula_full": "Yb5 Mg1",
"formula_reduced": "Yb5Mg",
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"energy": -9.19014817,
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"updated_at": "2021-11-28T01:37:21.299000Z",
"spacegroup": 8
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{
"id": "mp-11820",
"created_at": "2022-09-04T14:46:21.818116Z",
"structure_string": "Ba4 Na8\n1.0\n3.655920 -6.332239 0.000000\n3.655920 6.332239 0.000000\n0.000000 0.000000 11.857395\nBa Na\n4 8\ndirect\n0.333333 0.666667 0.438628 Ba\n0.666667 0.333333 0.938628 Ba\n0.666667 0.333333 0.561372 Ba\n0.333333 0.666667 0.061372 Ba\n0.169083 0.338167 0.750000 Na\n0.830917 0.169083 0.250000 Na\n0.338167 0.169083 0.250000 Na\n0.661833 0.830917 0.750000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.830917 0.661833 0.250000 Na\n0.169083 0.830917 0.750000 Na\n",
"nsites": 12,
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"elements": [
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],
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"density": 2.2177560879371154,
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"volume": 549.0011640102962,
"volume_molar": 27.55135239228208,
"formula_full": "Ba4 Na8",
"formula_reduced": "BaNa2",
"formula_anonymous": "AB2",
"energy": -18.38546865,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:32.047000Z",
"spacegroup": 194
},
{
"id": "mp-1023304",
"created_at": "2022-09-04T14:42:57.948379Z",
"structure_string": "Rb2 Mg12 Al2\n1.0\n5.135368 0.000000 0.000000\n0.000000 7.067123 0.000000\n0.000000 0.000000 12.097443\nRb Mg Al\n2 12 2\ndirect\n0.500000 0.500000 0.166060 Rb\n0.500000 0.000000 0.666060 Rb\n0.000000 0.214808 0.070271 Mg\n0.000000 0.785192 0.070271 Mg\n0.000000 0.500000 0.833612 Mg\n0.500000 0.232830 0.916683 Mg\n0.500000 0.767170 0.916683 Mg\n0.500000 0.500000 0.663768 Mg\n0.000000 0.714808 0.570271 Mg\n0.000000 0.285192 0.570271 Mg\n0.000000 0.000000 0.333612 Mg\n0.500000 0.732830 0.416683 Mg\n0.500000 0.267170 0.416683 Mg\n0.500000 0.000000 0.163768 Mg\n0.000000 0.500000 0.362653 Al\n0.000000 0.000000 0.862653 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Al"
],
"chemical_system": "Al-Mg-Rb",
"density": 1.9537138425419593,
"density_atomic": 0.036442836914138126,
"volume": 439.04375605272224,
"volume_molar": 16.524895617178718,
"formula_full": "Rb2 Mg12 Al2",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
"energy": -24.5167481,
"energy_per_atom": -1.53229675625,
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"updated_at": "2021-11-28T01:36:07.648000Z",
"spacegroup": 38
}
]
}