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"results": [
{
"id": "mp-1207281",
"created_at": "2022-09-04T14:45:53.069368Z",
"structure_string": "Na1 Sm3 S6\n1.0\n6.617005 -8.156379 0.000000\n6.617005 8.156379 0.000000\n0.000000 0.000000 44.776019\nNa Sm S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.231201 S\n0.000000 0.000000 0.768799 S\n0.259193 0.972949 0.000000 S\n0.740807 0.027051 0.000000 S\n0.972949 0.259193 0.000000 S\n0.027051 0.740807 0.000000 S\n",
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"volume": 4833.19518845102,
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{
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"created_at": "2022-09-04T14:42:14.638143Z",
"structure_string": "Li2 Dy2 Sn4\n1.0\n2.166788 -9.500251 0.000000\n2.166788 9.500251 0.000000\n0.000000 0.000000 4.564433\nLi Dy Sn\n2 2 4\ndirect\n0.673440 0.326560 0.750000 Li\n0.326560 0.673440 0.250000 Li\n0.893222 0.106778 0.750000 Dy\n0.106778 0.893222 0.250000 Dy\n0.543430 0.456570 0.750000 Sn\n0.456570 0.543430 0.250000 Sn\n0.252976 0.747024 0.750000 Sn\n0.747024 0.252976 0.250000 Sn\n",
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"formula_full": "Li2 Dy2 Sn4",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "mp-996944",
"created_at": "2022-09-04T14:43:43.766241Z",
"structure_string": "Cs2 Tl1 In1 Br6\n1.0\n0.000000 5.900906 5.900906\n5.900906 0.000000 5.900906\n5.900906 5.900906 0.000000\nCs Tl In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.769378 0.230622 0.230622 Br\n0.230622 0.230622 0.769378 Br\n0.230622 0.769378 0.769378 Br\n0.230622 0.769378 0.230622 Br\n0.769378 0.230622 0.769378 Br\n0.769378 0.769378 0.230622 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
"chemical_system": "Br-Cs-In-Tl",
"density": 4.301130798573819,
"density_atomic": 0.02433402303742079,
"volume": 410.9472562190818,
"volume_molar": 24.74782221887096,
"formula_full": "Cs2 Tl1 In1 Br6",
"formula_reduced": "Cs2TlInBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.53867587,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.972000Z",
"spacegroup": 225
},
{
"id": "mp-1111640",
"created_at": "2022-09-04T14:46:28.192808Z",
"structure_string": "K2 Na1 In1 Br6\n1.0\n0.000000 5.597386 5.597386\n5.597386 0.000000 5.597386\n5.597386 5.597386 0.000000\nK Na In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.758808 0.241192 0.241192 Br\n0.241192 0.241192 0.758808 Br\n0.241192 0.758808 0.758808 Br\n0.241192 0.758808 0.241192 Br\n0.758808 0.241192 0.758808 Br\n0.758808 0.758808 0.241192 Br\n",
"nsites": 10,
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"elements": [
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"In",
"Br"
],
"chemical_system": "Br-In-K-Na",
"density": 3.2924238078132175,
"density_atomic": 0.028511117025045052,
"volume": 350.7403793129427,
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"formula_full": "K2 Na1 In1 Br6",
"formula_reduced": "K2NaInBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.53826002,
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"total_magnetization": 8.24e-05,
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"updated_at": "2021-11-28T01:37:37.251000Z",
"spacegroup": 225
},
{
"id": "mp-1247418",
"created_at": "2022-09-04T14:40:30.723063Z",
"structure_string": "Li2 Mn1 N2\n1.0\n3.026200 -0.000129 0.000464\n-1.513211 2.620958 0.000000\n-0.000190 -0.000109 5.423215\nLi Mn N\n2 1 2\ndirect\n0.666490 0.333245 0.353737 Li\n0.333510 0.666755 0.646263 Li\n0.000000 0.000000 0.000000 Mn\n0.666799 0.333400 0.800681 N\n0.333201 0.666600 0.199319 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"chemical_system": "Li-Mn-N",
"density": 3.7382699111580324,
"density_atomic": 0.1162428312431008,
"volume": 43.01340518404449,
"volume_molar": 5.1806556117045925,
"formula_full": "Li2 Mn1 N2",
"formula_reduced": "Li2MnN2",
"formula_anonymous": "AB2C2",
"energy": -32.53333578,
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"band_gap": 0.4918999999999998,
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"updated_at": "2021-11-28T01:35:06.379000Z",
"spacegroup": 164
},
{
"id": "mp-1017099",
"created_at": "2022-09-04T14:47:28.414900Z",
"structure_string": "Cs2 Mg12 Cr2\n1.0\n5.362303 0.000000 0.000000\n0.000000 6.790872 0.000000\n0.000000 0.000000 11.864763\nCs Mg Cr\n2 12 2\ndirect\n0.500000 0.500000 0.665816 Cs\n0.500000 0.000000 0.165816 Cs\n0.500000 0.746684 0.917349 Mg\n0.500000 0.253316 0.917349 Mg\n0.000000 0.221864 0.578751 Mg\n0.000000 0.778136 0.578751 Mg\n0.000000 0.500000 0.848478 Mg\n0.000000 0.000000 0.828493 Mg\n0.500000 0.246684 0.417349 Mg\n0.500000 0.753316 0.417349 Mg\n0.000000 0.721864 0.078751 Mg\n0.000000 0.278136 0.078751 Mg\n0.000000 0.000000 0.348478 Mg\n0.000000 0.500000 0.328493 Mg\n0.500000 0.000000 0.665009 Cr\n0.500000 0.500000 0.165009 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Cr"
],
"chemical_system": "Cr-Cs-Mg",
"density": 2.542252946155238,
"density_atomic": 0.037032584297711904,
"volume": 432.0519429962812,
"volume_molar": 16.261735102219387,
"formula_full": "Cs2 Mg12 Cr2",
"formula_reduced": "CsMg6Cr",
"formula_anonymous": "ABC6",
"energy": -32.53190057,
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"updated_at": "2021-11-28T01:38:08.960000Z",
"spacegroup": 38
},
{
"id": "mp-1077018",
"created_at": "2022-09-04T14:45:40.814382Z",
"structure_string": "Sm4 Sb2\n1.0\n-2.263539 2.263539 8.751689\n2.263539 -2.263539 8.751689\n2.263539 2.263539 -8.751689\nSm Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.821395 0.821395 0.000000 Sm\n0.178605 0.178605 0.000000 Sm\n0.638356 0.638356 0.000000 Sb\n0.361644 0.361644 0.000000 Sb\n",
"nsites": 6,
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"density": 7.822713354824576,
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"volume": 179.36092325931838,
"volume_molar": 18.002278778519553,
"formula_full": "Sm4 Sb2",
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"energy": -32.52998159,
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"updated_at": "2021-11-28T01:37:11.947000Z",
"spacegroup": 139
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{
"id": "mp-30919",
"created_at": "2022-09-04T14:47:18.446269Z",
"structure_string": "La1 Ga6 Pd1\n1.0\n4.437226 0.000000 0.000000\n0.000000 4.437226 0.000000\n0.000000 0.000000 7.962835\nLa Ga Pd\n1 6 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.670951 Ga\n0.000000 0.500000 0.670951 Ga\n0.500000 0.500000 0.152963 Ga\n0.500000 0.500000 0.847037 Ga\n0.000000 0.500000 0.329049 Ga\n0.500000 0.000000 0.329049 Ga\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 8,
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"elements": [
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"Ga",
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],
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"density": 7.029204786039323,
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"volume": 156.7800558605253,
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"formula_full": "La1 Ga6 Pd1",
"formula_reduced": "LaGa6Pd",
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"energy": -32.52975683,
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"updated_at": "2021-11-28T01:38:00.129000Z",
"spacegroup": 123
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{
"id": "mp-975912",
"created_at": "2022-09-04T14:39:28.983889Z",
"structure_string": "Mo3 H1\n1.0\n-1.777021 1.777021 4.390509\n1.777021 -1.777021 4.390509\n1.777021 1.777021 -4.390509\nMo H\n3 1\ndirect\n0.750000 0.250000 0.500000 Mo\n0.250000 0.750000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
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"elements": [
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{
"id": "mp-1206994",
"created_at": "2022-09-04T14:47:10.333757Z",
"structure_string": "La3 Sn1 N1\n1.0\n5.115056 0.000000 0.000000\n0.000000 5.115056 0.000000\n0.000000 0.000000 5.115056\nLa Sn N\n3 1 1\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n",
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"volume": 133.8292913449221,
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"formula_full": "La3 Sn1 N1",
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{
"id": "mp-1026735",
"created_at": "2022-09-04T14:43:12.887468Z",
"structure_string": "Ce1 Mg14 Sb1\n1.0\n6.421629 0.000000 0.000000\n-3.210815 5.561293 -0.000000\n0.000000 0.000000 10.552706\nCe Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.179204 0.839602 0.125000 Mg\n0.159992 0.829995 0.625000 Mg\n0.660398 0.320796 0.125000 Mg\n0.670005 0.340008 0.625000 Mg\n0.660398 0.839602 0.125000 Mg\n0.670005 0.829995 0.625000 Mg\n0.332955 0.167045 0.378890 Mg\n0.332955 0.167045 0.871110 Mg\n0.332955 0.665911 0.378890 Mg\n0.332955 0.665911 0.871110 Mg\n0.834089 0.167045 0.378890 Mg\n0.834089 0.167045 0.871110 Mg\n0.833333 0.666667 0.361469 Mg\n0.833333 0.666667 0.888531 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ce-Mg-Sb",
"density": 2.6531760994961955,
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"volume": 376.8641504748928,
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"formula_full": "Ce1 Mg14 Sb1",
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"spacegroup": 187
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{
"id": "mp-1206218",
"created_at": "2022-09-04T14:46:58.095930Z",
"structure_string": "Nd1 In1 Ni4\n1.0\n0.000000 3.575357 3.575357\n3.575357 0.000000 3.575357\n3.575357 3.575357 0.000000\nNd In Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 In\n0.626473 0.626473 0.626473 Ni\n0.626473 0.626473 0.120582 Ni\n0.626473 0.120582 0.626473 Ni\n0.120582 0.626473 0.626473 Ni\n",
"nsites": 6,
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"density": 8.971013275914176,
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"volume": 91.40884758262203,
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"formula_full": "Nd1 In1 Ni4",
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}
]
}