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{
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"results": [
{
"id": "mp-1113546",
"created_at": "2022-09-04T14:41:01.946304Z",
"structure_string": "Rb2 Hg1 Au1 Br6\n1.0\n0.000000 5.546070 5.546070\n5.546070 0.000000 5.546070\n5.546070 5.546070 0.000000\nRb Hg Au 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 Hg\n0.000000 0.000000 0.000000 Au\n0.755865 0.244135 0.244135 Br\n0.244135 0.244135 0.755865 Br\n0.244135 0.755865 0.755865 Br\n0.244135 0.755865 0.244135 Br\n0.755865 0.244135 0.755865 Br\n0.755865 0.755865 0.244135 Br\n",
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{
"id": "mp-1188098",
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"structure_string": "Ce4 Zn12\n1.0\n4.536569 0.000000 0.000000\n0.000000 6.726160 0.000000\n0.000000 0.000000 10.122287\nCe Zn\n4 12\ndirect\n0.250000 0.279686 0.655447 Ce\n0.250000 0.779686 0.844553 Ce\n0.750000 0.720314 0.344553 Ce\n0.750000 0.220314 0.155447 Ce\n0.250000 0.537258 0.110457 Zn\n0.250000 0.037258 0.389543 Zn\n0.750000 0.462742 0.889543 Zn\n0.750000 0.962742 0.610457 Zn\n0.250000 0.918483 0.145579 Zn\n0.250000 0.418483 0.354421 Zn\n0.750000 0.081517 0.854421 Zn\n0.750000 0.581517 0.645579 Zn\n0.250000 0.219704 0.955885 Zn\n0.250000 0.719704 0.544115 Zn\n0.750000 0.780296 0.044115 Zn\n0.750000 0.280296 0.455885 Zn\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ce-Zn",
"density": 7.232994265362063,
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"formula_full": "Ce4 Zn12",
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"updated_at": "2021-11-28T01:35:58.825000Z",
"spacegroup": 62
},
{
"id": "mp-1183503",
"created_at": "2022-09-04T14:40:52.215760Z",
"structure_string": "Ca2 Hg1 Bi1\n1.0\n0.000000 3.898930 3.898930\n3.898930 0.000000 3.898930\n3.898930 3.898930 0.000000\nCa Hg Bi\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Bi-Ca-Hg",
"density": 6.860192525370088,
"density_atomic": 0.03374377615154539,
"volume": 118.54037858820992,
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"formula_full": "Ca2 Hg1 Bi1",
"formula_reduced": "Ca2HgBi",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.286000Z",
"spacegroup": 225
},
{
"id": "mp-1100411",
"created_at": "2022-09-04T14:42:41.805008Z",
"structure_string": "Ca1 Cd1 Sn1\n1.0\n0.000000 3.509640 3.509640\n3.509640 0.000000 3.509640\n3.509640 3.509640 0.000000\nCa Cd Sn\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
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"elements": [
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"density": 5.208581596812024,
"density_atomic": 0.03469792832582784,
"volume": 86.4604933132827,
"volume_molar": 17.355908697054236,
"formula_full": "Ca1 Cd1 Sn1",
"formula_reduced": "CaCdSn",
"formula_anonymous": "ABC",
"energy": -8.16582063,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.031000Z",
"spacegroup": 216
},
{
"id": "mp-1055994",
"created_at": "2022-09-04T14:40:27.916559Z",
"structure_string": "In1\n1.0\n-1.654892 1.654892 2.508362\n1.654892 -1.654892 2.508362\n1.654892 1.654892 -2.508362\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
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"elements": [
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"density": 6.938563351301882,
"density_atomic": 0.03639238202037771,
"volume": 27.478278268239098,
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"formula_full": "In1",
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"energy": -2.72188849,
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"total_magnetization": 7.47e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.508000Z",
"spacegroup": 139
},
{
"id": "mp-1226829",
"created_at": "2022-09-04T14:39:38.376337Z",
"structure_string": "Cd4 In1 Te4 As1\n1.0\n-2.141041 2.141041 15.176417\n2.141041 -2.141041 15.176417\n2.141041 2.141041 -15.176417\nCd In Te As\n4 1 4 1\ndirect\n0.907217 0.907217 0.000000 Cd\n0.298740 0.298740 0.000000 Cd\n0.701260 0.701260 0.000000 Cd\n0.092783 0.092783 0.000000 Cd\n0.500000 0.500000 0.000000 In\n0.800851 0.800851 0.000000 Te\n0.199149 0.199149 0.000000 Te\n0.600857 0.600857 0.000000 Te\n0.399143 0.399143 0.000000 Te\n0.000000 0.000000 0.000000 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"In",
"Te",
"As"
],
"chemical_system": "As-Cd-In-Te",
"density": 6.860977529691306,
"density_atomic": 0.03593525986044389,
"volume": 278.2782158480397,
"volume_molar": 16.758305862785576,
"formula_full": "Cd4 In1 Te4 As1",
"formula_reduced": "Cd4InTe4As",
"formula_anonymous": "ABC4D4",
"energy": -27.21186385,
"energy_per_atom": -2.721186385,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.234000Z",
"spacegroup": 139
},
{
"id": "mp-1023481",
"created_at": "2022-09-04T14:42:45.315022Z",
"structure_string": "Mg12 Mn2 Al2\n1.0\n4.950901 0.000000 0.000000\n0.000000 6.094651 0.000000\n0.000000 0.000000 10.791101\nMg Mn Al\n12 2 2\ndirect\n0.500000 0.250160 0.416696 Mg\n0.500000 0.749840 0.416696 Mg\n0.000000 0.746136 0.086001 Mg\n0.000000 0.253864 0.086001 Mg\n0.000000 0.000000 0.330837 Mg\n0.000000 0.500000 0.328205 Mg\n0.500000 0.750160 0.916696 Mg\n0.500000 0.249840 0.916696 Mg\n0.000000 0.246136 0.586001 Mg\n0.000000 0.753864 0.586001 Mg\n0.000000 0.500000 0.830837 Mg\n0.000000 0.000000 0.828205 Mg\n0.500000 0.500000 0.167716 Mn\n0.500000 0.000000 0.667716 Mn\n0.500000 0.000000 0.167844 Al\n0.500000 0.500000 0.667844 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mn",
"Al"
],
"chemical_system": "Al-Mg-Mn",
"density": 2.322939204876063,
"density_atomic": 0.04913841475324816,
"volume": 325.6108297417626,
"volume_molar": 12.255464060533054,
"formula_full": "Mg12 Mn2 Al2",
"formula_reduced": "Mg6MnAl",
"formula_anonymous": "ABC6",
"energy": -43.53599119,
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"updated_at": "2021-11-28T01:35:56.720000Z",
"spacegroup": 38
},
{
"id": "mp-1179684",
"created_at": "2022-09-04T14:44:02.345536Z",
"structure_string": "Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
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"elements": [
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"density": 0.43026736970699225,
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"volume": 453.5965767977985,
"volume_molar": 136.58112168652465,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -5.44195915,
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"updated_at": "2021-11-28T01:36:24.706000Z",
"spacegroup": 12
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{
"id": "mp-640118",
"created_at": "2022-09-04T14:41:08.462275Z",
"structure_string": "Ce2 Zn6\n1.0\n2.309482 -5.189990 0.000000\n2.309482 5.189990 0.000000\n0.000000 0.000000 6.544218\nCe Zn\n2 6\ndirect\n0.898264 0.101736 0.250000 Ce\n0.101736 0.898264 0.750000 Ce\n0.799887 0.200113 0.750000 Zn\n0.380894 0.619106 0.556233 Zn\n0.619106 0.380894 0.443767 Zn\n0.380894 0.619106 0.943767 Zn\n0.619106 0.380894 0.056233 Zn\n0.200113 0.799887 0.250000 Zn\n",
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"density": 7.120207171400017,
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"volume": 156.88046087221537,
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"formula_full": "Ce2 Zn6",
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"updated_at": "2021-11-28T01:35:16.483000Z",
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{
"id": "mp-864732",
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"structure_string": "Yb2 Cd1 Ge1\n1.0\n0.000000 3.671056 3.671056\n3.671056 0.000000 3.671056\n3.671056 3.671056 0.000000\nYb Cd Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
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"formula_full": "Yb2 Cd1 Ge1",
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"updated_at": "2021-11-28T01:36:30.240000Z",
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{
"id": "mp-1110958",
"created_at": "2022-09-04T14:44:25.247599Z",
"structure_string": "K3 Ga1 I6\n1.0\n0.000000 6.145340 6.145340\n6.145340 0.000000 6.145340\n6.145340 6.145340 0.000000\nK Ga I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.771609 0.228391 0.228391 I\n0.228391 0.228391 0.771609 I\n0.228391 0.771609 0.771609 I\n0.228391 0.771609 0.228391 I\n0.771609 0.228391 0.771609 I\n0.771609 0.771609 0.228391 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.3930743594772066,
"density_atomic": 0.021544293492381912,
"volume": 464.16003400325064,
"volume_molar": 27.95237059933962,
"formula_full": "K3 Ga1 I6",
"formula_reduced": "K3GaI6",
"formula_anonymous": "AB3C6",
"energy": -27.20593789,
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{
"id": "mp-1185700",
"created_at": "2022-09-04T14:45:25.659131Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n7.559238 -4.364328 3.086046\n-0.077081 8.506144 2.960175\n-7.405077 -4.186319 2.960175\nMg Al Pt\n16 12 1\ndirect\n0.569935 0.259586 0.999999 Mg\n0.317694 0.591043 0.999999 Mg\n0.002032 0.352906 0.000000 Mg\n0.987030 0.000001 0.000001 Mg\n0.569934 0.999999 0.259587 Mg\n0.681431 0.673317 0.273342 Mg\n0.008114 0.600026 0.326682 Mg\n0.002032 0.000000 0.352906 Mg\n0.408089 0.726657 0.399975 Mg\n0.726653 0.408957 0.408957 Mg\n0.317694 0.999999 0.591043 Mg\n0.008115 0.326682 0.600025 Mg\n0.649125 0.647093 0.647093 Mg\n0.681431 0.273343 0.673317 Mg\n0.408090 0.399975 0.726657 Mg\n0.310348 0.740412 0.740412 Mg\n0.652350 0.809689 0.999999 Al\n0.813147 0.611454 0.999999 Al\n0.183189 0.816608 0.179824 Al\n0.366582 0.363216 0.183391 Al\n0.842660 0.190310 0.190311 Al\n0.366582 0.183391 0.363216 Al\n0.201693 0.388546 0.388545 Al\n0.813146 0.000000 0.611455 Al\n0.003366 0.820176 0.636785 Al\n0.652349 0.999999 0.809689 Al\n0.183189 0.179823 0.816608 Al\n0.003366 0.636785 0.820175 Al\n0.270623 0.999999 0.000000 Pt\n",
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"density": 2.6257182481634214,
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"volume": 574.0683805696343,
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"formula_full": "Mg16 Al12 Pt1",
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"updated_at": "2021-11-28T01:36:55.909000Z",
"spacegroup": 160
}
]
}