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"results": [
{
"id": "mp-1187446",
"created_at": "2022-09-04T14:46:57.174377Z",
"structure_string": "Th1 Ti3\n1.0\n-2.362475 2.362475 3.625872\n2.362475 -2.362475 3.625872\n2.362475 2.362475 -3.625872\nTh Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n",
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{
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"structure_string": "Cd1 Ru1 O3\n1.0\n3.928223 0.000000 0.000000\n0.000000 3.928223 0.000000\n0.000000 0.000000 3.928223\nCd Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Cd1 Ru1 O3",
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{
"id": "mp-30564",
"created_at": "2022-09-04T14:41:30.769679Z",
"structure_string": "Th2 Co2\n1.0\n1.862830 -5.592955 0.000000\n1.862830 5.592955 0.000000\n0.000000 0.000000 3.984614\nTh Co\n2 2\ndirect\n0.133414 0.866586 0.750000 Th\n0.866586 0.133414 0.250000 Th\n0.407533 0.592467 0.750000 Co\n0.592467 0.407533 0.250000 Co\n",
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"volume": 83.02918991511254,
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"formula_full": "Th2 Co2",
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"energy": -30.4726555,
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"total_magnetization": 4.8e-06,
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"updated_at": "2021-11-28T01:35:22.102000Z",
"spacegroup": 63
},
{
"id": "mp-1223986",
"created_at": "2022-09-04T14:44:59.931631Z",
"structure_string": "In2 Hg3 Te6\n1.0\n0.000000 0.000000 -6.408225\n6.392774 -6.582848 0.000000\n-3.248389 -6.628918 -3.204112\nIn Hg Te\n2 3 6\ndirect\n0.986951 0.505499 0.999711 In\n0.653330 0.827834 0.666956 In\n0.985480 0.987046 0.017226 Hg\n0.378639 0.166667 0.333333 Hg\n0.669373 0.346287 0.649441 Hg\n0.261173 0.736433 0.025665 Te\n0.552242 0.884631 0.342808 Te\n0.916011 0.081519 0.665570 Te\n0.248247 0.251814 0.001097 Te\n0.561717 0.448703 0.323858 Te\n0.953505 0.596900 0.641002 Te\n",
"nsites": 11,
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"elements": [
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"chemical_system": "Hg-In-Te",
"density": 6.490287886791422,
"density_atomic": 0.026921608287480938,
"volume": 408.59371708172466,
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"formula_full": "In2 Hg3 Te6",
"formula_reduced": "In2(HgTe2)3",
"formula_anonymous": "A2B3C6",
"energy": -30.47254241,
"energy_per_atom": -2.770231128181818,
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"updated_at": "2021-11-28T01:36:48.103000Z",
"spacegroup": 5
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{
"id": "mp-1187441",
"created_at": "2022-09-04T14:46:18.225438Z",
"structure_string": "Th1 Ti3\n1.0\n0.000000 3.423848 3.423848\n3.423848 0.000000 3.423848\n3.423848 3.423848 0.000000\nTh Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 4,
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"density": 7.770454440600143,
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"formula_full": "Th1 Ti3",
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"formula_anonymous": "AB3",
"energy": -30.4722739,
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"updated_at": "2021-11-28T01:37:23.643000Z",
"spacegroup": 225
},
{
"id": "mp-865925",
"created_at": "2022-09-04T14:45:14.660463Z",
"structure_string": "Li1 Zr1 Ir2\n1.0\n0.000000 3.152408 3.152408\n3.152408 0.000000 3.152408\n3.152408 3.152408 0.000000\nLi Zr Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"Zr",
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],
"chemical_system": "Ir-Li-Zr",
"density": 12.790227123857349,
"density_atomic": 0.0638414485888756,
"volume": 62.65521989889499,
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"formula_full": "Li1 Zr1 Ir2",
"formula_reduced": "LiZrIr2",
"formula_anonymous": "ABC2",
"energy": -30.47195943,
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"updated_at": "2021-11-28T01:36:58.665000Z",
"spacegroup": 225
},
{
"id": "mp-1026594",
"created_at": "2022-09-04T14:45:10.472680Z",
"structure_string": "Rb1 Hf1 Mg14\n1.0\n6.634868 -0.000000 -0.000000\n-3.317434 5.745963 0.000000\n-0.000000 -0.000000 10.345807\nRb Hf Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Rb\n0.166667 0.333333 0.625000 Hf\n0.173044 0.836522 0.125000 Mg\n0.168058 0.834029 0.625000 Mg\n0.663478 0.326956 0.125000 Mg\n0.665971 0.331942 0.625000 Mg\n0.663478 0.836522 0.125000 Mg\n0.665971 0.834029 0.625000 Mg\n0.336972 0.163028 0.389217 Mg\n0.336972 0.163028 0.860783 Mg\n0.336972 0.673945 0.389217 Mg\n0.336972 0.673945 0.860783 Mg\n0.826055 0.163028 0.389217 Mg\n0.826055 0.163028 0.860783 Mg\n0.833333 0.666667 0.372971 Mg\n0.833333 0.666667 0.877029 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Rb",
"density": 2.543843068080739,
"density_atomic": 0.04056584230682937,
"volume": 394.42050479268255,
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"formula_full": "Rb1 Hf1 Mg14",
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"formula_anonymous": "ABC14",
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"spacegroup": 187
},
{
"id": "mp-1206673",
"created_at": "2022-09-04T14:46:09.969814Z",
"structure_string": "Cs2 Li2 N4\n1.0\n5.759363 3.272334 0.000000\n-5.759363 3.272334 0.000000\n0.000000 1.736018 4.910705\nCs Li N\n2 2 4\ndirect\n0.845370 0.154630 0.250000 Cs\n0.154630 0.845370 0.750000 Cs\n0.483972 0.516028 0.250000 Li\n0.516028 0.483972 0.750000 Li\n0.432440 0.234391 0.106109 N\n0.567560 0.765609 0.893891 N\n0.765609 0.567560 0.393891 N\n0.234391 0.432440 0.606109 N\n",
"nsites": 8,
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"density": 3.0117575705520276,
"density_atomic": 0.04321993097416234,
"volume": 185.09978659573858,
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"formula_full": "Cs2 Li2 N4",
"formula_reduced": "CsLiN2",
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"energy": -30.46891445,
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{
"id": "mp-27830",
"created_at": "2022-09-04T14:47:27.292529Z",
"structure_string": "Cs2 Se1 Cl6\n1.0\n0.000000 5.336086 5.336086\n5.336086 0.000000 5.336086\n5.336086 5.336086 0.000000\nCs Se Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Se\n0.771683 0.228317 0.771683 Cl\n0.228317 0.228317 0.771683 Cl\n0.771683 0.771683 0.228317 Cl\n0.228317 0.771683 0.228317 Cl\n0.228317 0.771683 0.771683 Cl\n0.771683 0.228317 0.228317 Cl\n",
"nsites": 9,
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"volume": 303.87743836312757,
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{
"id": "mp-1026683",
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"structure_string": "Mg14 Ga1 Si1\n1.0\n6.219259 -0.128286 0.000000\n-3.220728 5.578465 0.000000\n0.000000 0.000000 10.130333\nMg Ga Si\n14 1 1\ndirect\n0.169260 0.334630 0.625000 Mg\n0.169747 0.834873 0.625000 Mg\n0.670423 0.335762 0.125000 Mg\n0.666943 0.332817 0.625000 Mg\n0.670423 0.834659 0.125000 Mg\n0.666943 0.834125 0.625000 Mg\n0.328002 0.164803 0.366813 Mg\n0.328002 0.164803 0.883187 Mg\n0.328002 0.663201 0.366813 Mg\n0.328002 0.663201 0.883187 Mg\n0.837728 0.168864 0.371215 Mg\n0.837728 0.168864 0.878785 Mg\n0.835042 0.667522 0.374358 Mg\n0.835042 0.667522 0.875642 Mg\n0.162941 0.831470 0.125000 Ga\n0.165770 0.332885 0.125000 Si\n",
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{
"id": "mp-1430957",
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"structure_string": "Zn1 Co2 N2\n1.0\n3.449325 0.000000 0.000000\n0.000000 3.449325 0.000000\n0.000000 0.000000 4.998071\nZn Co N\n1 2 2\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.745173 Co\n0.000000 0.000000 0.254827 Co\n0.000000 0.500000 0.266290 N\n0.500000 0.000000 0.733710 N\n",
"nsites": 5,
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"formula_full": "Zn1 Co2 N2",
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{
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"created_at": "2022-09-04T14:40:35.823610Z",
"structure_string": "Na4 S4\n1.0\n2.257155 -3.909507 0.000000\n2.257155 3.909507 0.000000\n0.000000 0.000000 10.284149\nNa S\n4 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.644551 S\n0.666667 0.333333 0.144551 S\n0.666667 0.333333 0.355449 S\n0.333333 0.666667 0.855449 S\n",
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}
]
}