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{
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"results": [
{
"id": "mp-1093922",
"created_at": "2022-09-04T14:44:21.931745Z",
"structure_string": "Cs1 K1 Na2\n1.0\n-7.476020 8.006771 10.619343\n7.476020 -8.006771 10.619343\n7.476020 8.006771 -10.619343\nCs K Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.761787 0.000000 0.761787 Na\n0.238213 0.000000 0.238213 Na\n",
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"volume": 2542.6436711085366,
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"formula_full": "Cs1 K1 Na2",
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{
"id": "mp-1093639",
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"structure_string": "La1 Mg2 Cd1\n1.0\n-6.348615 7.491552 10.604657\n6.348615 -7.491552 10.604657\n6.348615 7.491552 -10.604657\nLa Mg Cd\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.239391 0.239391 Mg\n0.000000 0.760609 0.760609 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-La-Mg",
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"updated_at": "2021-11-28T01:35:05.969000Z",
"spacegroup": 71
},
{
"id": "mp-1096599",
"created_at": "2022-09-04T14:41:15.920361Z",
"structure_string": "Na1 Cd2 In1\n1.0\n-5.977618 6.294192 8.963605\n5.977618 -6.294192 8.963605\n5.977618 6.294192 -8.963605\nNa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.252715 0.252715 Cd\n0.000000 0.747285 0.747285 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-In-Na",
"density": 0.446376893027602,
"density_atomic": 0.002965166911795407,
"volume": 1348.9965721956617,
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"formula_full": "Na1 Cd2 In1",
"formula_reduced": "NaCd2In",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -2.65177555,
"band_gap": 0.0056000000000002,
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"total_magnetization": 0.0487441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.247000Z",
"spacegroup": 71
},
{
"id": "mp-1216519",
"created_at": "2022-09-04T14:48:26.470862Z",
"structure_string": "Tl1 Hg1\n1.0\n5.872553 -1.727203 0.000000\n5.872553 1.727203 0.000000\n5.364557 0.000000 2.948158\nTl Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Tl",
"density": 11.244092489730491,
"density_atomic": 0.03344097386914951,
"volume": 59.80687069179739,
"volume_molar": 18.008269686056124,
"formula_full": "Tl1 Hg1",
"formula_reduced": "TlHg",
"formula_anonymous": "AB",
"energy": -2.6404224,
"energy_per_atom": -1.3202112,
"energy_above_hull": null,
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"energy_uncorrected": -2.6404224,
"band_gap": 0.0,
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"total_magnetization": 0.0066319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:36.633000Z",
"spacegroup": 166
},
{
"id": "mp-1095971",
"created_at": "2022-09-04T14:39:48.368982Z",
"structure_string": "Sr2 Mg1 In1\n1.0\n-6.143645 6.902114 9.188986\n6.143645 -6.902114 9.188986\n6.143645 6.902114 -9.188986\nSr Mg In\n2 1 1\ndirect\n0.733437 0.000000 0.733437 Sr\n0.266563 0.000000 0.266563 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"In"
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"chemical_system": "In-Mg-Sr",
"density": 0.33492278975094364,
"density_atomic": 0.0025663989519238376,
"volume": 1558.6041277804834,
"volume_molar": 234.65333616527744,
"formula_full": "Sr2 Mg1 In1",
"formula_reduced": "Sr2MgIn",
"formula_anonymous": "ABC2",
"energy": -2.63903674,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.036000Z",
"spacegroup": 71
},
{
"id": "mp-1038829",
"created_at": "2022-09-04T14:41:59.490194Z",
"structure_string": "Mg1 Cd1\n1.0\n1.613275 -2.794273 0.000000\n1.613275 2.794273 0.000000\n0.000000 0.000000 4.886352\nMg Cd\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.153193589138298,
"density_atomic": 0.045398135065456674,
"volume": 44.05467310752584,
"volume_molar": 13.265172129465363,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.63779721,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -2.63779721,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.105000Z",
"spacegroup": 187
},
{
"id": "mp-11466",
"created_at": "2022-09-04T14:43:23.361041Z",
"structure_string": "Na1 Hg2\n1.0\n2.601532 -4.505986 0.000000\n2.601532 4.505986 0.000000\n0.000000 0.000000 3.348606\nNa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 8.971720872425093,
"density_atomic": 0.03821274160831104,
"volume": 78.50784512534212,
"volume_molar": 15.759509803636336,
"formula_full": "Na1 Hg2",
"formula_reduced": "NaHg2",
"formula_anonymous": "AB2",
"energy": -2.63769575,
"energy_per_atom": -0.8792319166666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0239627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.791000Z",
"spacegroup": 191
},
{
"id": "mp-1038972",
"created_at": "2022-09-04T14:44:20.693325Z",
"structure_string": "Mg1 Cd1\n1.0\n4.798411 -1.667390 0.000000\n4.798411 1.667390 0.000000\n4.219013 0.000000 2.829288\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.014488632215063,
"density_atomic": 0.04417618478167113,
"volume": 45.273262276596775,
"volume_molar": 13.632097904703192,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.6376217,
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"energy_above_hull": null,
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"energy_uncorrected": -2.6376217,
"band_gap": 0.0,
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"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.324000Z",
"spacegroup": 166
},
{
"id": "mp-1096153",
"created_at": "2022-09-04T14:39:28.283012Z",
"structure_string": "Ba2 Tl1 Hg1\n1.0\n-6.487499 7.224893 10.120803\n6.487499 -7.224893 10.120803\n6.487499 7.224893 -10.120803\nBa Tl Hg\n2 1 1\ndirect\n0.000000 0.251302 0.251302 Ba\n0.000000 0.748698 0.748698 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Tl",
"Hg"
],
"chemical_system": "Ba-Hg-Tl",
"density": 0.5947524324369714,
"density_atomic": 0.00210802765970442,
"volume": 1897.508309051725,
"volume_molar": 285.67655325947675,
"formula_full": "Ba2 Tl1 Hg1",
"formula_reduced": "Ba2TlHg",
"formula_anonymous": "ABC2",
"energy": -2.62978741,
"energy_per_atom": -0.6574468525,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:32.754000Z",
"spacegroup": 71
},
{
"id": "mp-10172",
"created_at": "2022-09-04T14:46:32.530236Z",
"structure_string": "Na2\n1.0\n1.879709 -3.255751 0.000000\n1.879709 3.255751 0.000000\n0.000000 0.000000 6.064977\nNa\n2\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 2,
"nelements": 1,
"elements": [
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"density_atomic": 0.026941950775017327,
"volume": 74.23367434308267,
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"formula_full": "Na2",
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"energy": -2.62444601,
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"updated_at": "2021-11-28T01:37:30.131000Z",
"spacegroup": 194
},
{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5195942102289478,
"density_atomic": 0.0025509689008503815,
"volume": 1568.0316599181492,
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"formula_full": "Sr2 In1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:17.424000Z",
"spacegroup": 71
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{
"id": "mp-1095895",
"created_at": "2022-09-04T14:47:05.432711Z",
"structure_string": "Li2 Zn1 Hg1\n1.0\n-5.546521 5.616342 7.843443\n5.546521 -5.616342 7.843443\n5.546521 5.616342 -7.843443\nLi Zn Hg\n2 1 1\ndirect\n0.248743 0.000000 0.248743 Li\n0.751257 0.000000 0.751257 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.47553399684329495,
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"volume": 977.3293551758973,
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"formula_full": "Li2 Zn1 Hg1",
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"updated_at": "2021-11-28T01:37:47.579000Z",
"spacegroup": 71
}
]
}