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{
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"results": [
{
"id": "mp-1211335",
"created_at": "2022-09-04T14:40:06.841720Z",
"structure_string": "La2 Cu1 Se2 O1\n1.0\n3.775249 0.000000 0.000000\n0.000000 3.775249 0.000000\n0.000000 0.000000 14.340376\nLa Cu Se O\n2 1 2 1\ndirect\n0.500000 0.500000 0.647642 La\n0.500000 0.500000 0.352358 La\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.155086 Se\n0.500000 0.500000 0.844914 Se\n0.500000 0.500000 0.500000 O\n",
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"volume": 204.38628081397886,
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"formula_full": "La2 Cu1 Se2 O1",
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{
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"created_at": "2022-09-04T14:46:12.933462Z",
"structure_string": "Pr1 Cu3 Pd2\n1.0\n-2.517930 2.741726 3.640690\n2.517930 -2.741726 3.640690\n2.517930 2.741726 -3.640690\nPr Cu Pd\n1 3 2\ndirect\n0.002457 0.002457 0.000000 Pr\n0.620120 0.368834 0.748713 Cu\n0.620120 0.871407 0.251287 Cu\n0.257806 0.757806 0.500000 Cu\n0.622786 0.374748 0.248038 Pd\n0.126709 0.374748 0.751962 Pd\n",
"nsites": 6,
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"elements": [
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"volume": 100.533637171587,
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"formula_full": "Pr1 Cu3 Pd2",
"formula_reduced": "PrCu3Pd2",
"formula_anonymous": "AB2C3",
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"total_magnetization": 7.6e-06,
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"updated_at": "2021-11-28T01:37:24.275000Z",
"spacegroup": 44
},
{
"id": "mp-1247154",
"created_at": "2022-09-04T14:48:03.058131Z",
"structure_string": "Mg1 Mn1 N2\n1.0\n2.955860 0.000000 0.000000\n1.477930 4.992638 -0.065939\n0.000000 14.573798 2.329934\nMg Mn N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.759133 N\n0.000000 0.000000 0.240867 N\n",
"nsites": 4,
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"elements": [
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"Mn",
"N"
],
"chemical_system": "Mg-Mn-N",
"density": 4.7845625190913115,
"density_atomic": 0.10745576724995995,
"volume": 37.22461904436768,
"volume_molar": 5.604297390563971,
"formula_full": "Mg1 Mn1 N2",
"formula_reduced": "MgMnN2",
"formula_anonymous": "ABC2",
"energy": -30.44987891,
"energy_per_atom": -7.6124697275,
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"energy_uncorrected": -29.72787891,
"band_gap": 0.0003999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.211000Z",
"spacegroup": 166
},
{
"id": "mp-1209771",
"created_at": "2022-09-04T14:48:20.835408Z",
"structure_string": "Nd2 Cu1 S2 O1\n1.0\n3.735389 0.000000 0.000000\n0.000000 3.735389 0.000000\n0.000000 0.000000 13.848671\nNd Cu S O\n2 1 2 1\ndirect\n0.500000 0.500000 0.654717 Nd\n0.500000 0.500000 0.345283 Nd\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.150444 S\n0.500000 0.500000 0.849556 S\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
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"elements": [
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"S",
"O"
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"chemical_system": "Cu-Nd-O-S",
"density": 3.7137553660089857,
"density_atomic": 0.03105070615616398,
"volume": 193.2323203802217,
"volume_molar": 19.394537211851862,
"formula_full": "Nd2 Cu1 S2 O1",
"formula_reduced": "Nd2CuS2O",
"formula_anonymous": "ABC2D2",
"energy": -31.4206883,
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"updated_at": "2021-11-28T01:38:42.868000Z",
"spacegroup": 123
},
{
"id": "mp-1078250",
"created_at": "2022-09-04T14:46:31.341132Z",
"structure_string": "Cs2 Ag1 Bi1 Br6\n1.0\n0.000000 5.744148 5.744148\n5.744148 0.000000 5.744148\n5.744148 5.744148 0.000000\nCs Ag Bi 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 Ag\n0.000000 0.000000 0.000000 Bi\n0.749194 0.250806 0.250806 Br\n0.250806 0.250806 0.749194 Br\n0.250806 0.749194 0.749194 Br\n0.250806 0.749194 0.250806 Br\n0.749194 0.250806 0.749194 Br\n0.749194 0.749194 0.250806 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br-Cs",
"density": 4.652655552917027,
"density_atomic": 0.026381114626953982,
"volume": 379.059040582874,
"volume_molar": 22.827468987406196,
"formula_full": "Cs2 Ag1 Bi1 Br6",
"formula_reduced": "Cs2AgBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.93091344,
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"updated_at": "2021-11-28T01:37:33.106000Z",
"spacegroup": 225
},
{
"id": "mp-1114025",
"created_at": "2022-09-04T14:44:50.593079Z",
"structure_string": "Rb2 Na1 As1 Br6\n1.0\n0.000000 5.590463 5.590463\n5.590463 0.000000 5.590463\n5.590463 5.590463 0.000000\nRb Na As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.761502 0.238498 0.238498 Br\n0.238498 0.238498 0.761502 Br\n0.238498 0.761502 0.761502 Br\n0.238498 0.761502 0.238498 Br\n0.761502 0.238498 0.761502 Br\n0.761502 0.761502 0.238498 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Na",
"As",
"Br"
],
"chemical_system": "As-Br-Na-Rb",
"density": 3.5557782209311966,
"density_atomic": 0.02861716923990038,
"volume": 349.44057241193474,
"volume_molar": 21.043803143196442,
"formula_full": "Rb2 Na1 As1 Br6",
"formula_reduced": "Rb2NaAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.93057368,
"energy_per_atom": -3.2930573680000004,
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"updated_at": "2021-11-28T01:36:39.710000Z",
"spacegroup": 225
},
{
"id": "mp-1110760",
"created_at": "2022-09-04T14:45:43.429677Z",
"structure_string": "K2 Rb1 Bi1 Br6\n1.0\n0.000000 6.105941 6.105941\n6.105941 0.000000 6.105941\n6.105941 6.105941 0.000000\nK Rb Bi 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 Rb\n0.000000 0.000000 0.000000 Bi\n0.765613 0.234387 0.234387 Br\n0.234387 0.234387 0.765613 Br\n0.234387 0.765613 0.765613 Br\n0.234387 0.765613 0.234387 Br\n0.765613 0.234387 0.765613 Br\n0.765613 0.765613 0.234387 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Rb",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-K-Rb",
"density": 3.107677578284755,
"density_atomic": 0.02196403837295084,
"volume": 455.2896798939854,
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"formula_full": "K2 Rb1 Bi1 Br6",
"formula_reduced": "K2RbBiBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-1028393",
"created_at": "2022-09-04T14:47:25.824915Z",
"structure_string": "Mg14 Cd1 Co1\n1.0\n6.284918 0.000000 0.000000\n-3.142459 5.442898 -0.000000\n0.000000 0.000000 9.909167\nMg Cd Co\n14 1 1\ndirect\n0.163109 0.831554 0.125000 Mg\n0.168241 0.834120 0.625000 Mg\n0.668446 0.336891 0.125000 Mg\n0.665880 0.331759 0.625000 Mg\n0.668446 0.831554 0.125000 Mg\n0.665880 0.834120 0.625000 Mg\n0.326480 0.173520 0.364545 Mg\n0.326480 0.173520 0.885455 Mg\n0.326480 0.652961 0.364545 Mg\n0.326480 0.652961 0.885455 Mg\n0.847039 0.173520 0.364545 Mg\n0.847039 0.173520 0.885455 Mg\n0.833333 0.666667 0.377124 Mg\n0.833333 0.666667 0.872876 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 Co\n",
"nsites": 16,
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"elements": [
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"Cd",
"Co"
],
"chemical_system": "Cd-Co-Mg",
"density": 2.5062519277327104,
"density_atomic": 0.04720119822021294,
"volume": 338.97444563490615,
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"formula_full": "Mg14 Cd1 Co1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:38:04.308000Z",
"spacegroup": 187
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{
"id": "mp-999096",
"created_at": "2022-09-04T14:39:11.829247Z",
"structure_string": "Ti2 Al1 Cr1\n1.0\n0.000000 3.150446 3.150446\n3.150446 0.000000 3.150446\n3.150446 3.150446 0.000000\nTi Al Cr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Cr\n",
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{
"id": "mp-1025129",
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"structure_string": "Tm2 Sn2 Ge2\n1.0\n2.126483 -8.047640 0.000000\n2.126483 8.047640 0.000000\n0.000000 0.000000 4.060496\nTm Sn Ge\n2 2 2\ndirect\n0.406168 0.593832 0.250000 Tm\n0.593832 0.406168 0.750000 Tm\n0.754061 0.245939 0.250000 Sn\n0.245939 0.754061 0.750000 Sn\n0.055253 0.944747 0.250000 Ge\n0.944747 0.055253 0.750000 Ge\n",
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{
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"structure_string": "V1 Fe1 Co1 As1\n1.0\n0.000000 2.888756 2.888756\n2.888756 0.000000 2.888756\n2.888756 2.888756 0.000000\nV Fe Co As\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 As\n",
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"volume": 48.21282475602396,
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"formula_full": "V1 Fe1 Co1 As1",
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{
"id": "mp-862738",
"created_at": "2022-09-04T14:44:09.375549Z",
"structure_string": "Pu1 Cd1 Rh2\n1.0\n0.000000 3.300424 3.300424\n3.300424 0.000000 3.300424\n3.300424 3.300424 0.000000\nPu Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"density": 12.984275682870477,
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"volume": 71.90170771971725,
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"formula_full": "Pu1 Cd1 Rh2",
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]
}