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{
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"results": [
{
"id": "mp-1096557",
"created_at": "2022-09-04T14:48:06.035866Z",
"structure_string": "Na1 Mg2 In1\n1.0\n-6.126990 6.136147 8.895032\n6.126990 -6.136147 8.895032\n6.126990 6.136147 -8.895032\nNa Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.258972 0.258972 Mg\n0.000000 0.741028 0.741028 Mg\n0.000000 0.500000 0.500000 In\n",
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"density": 0.23141205095948564,
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"volume": 1337.674452624165,
"volume_molar": 201.39159611896685,
"formula_full": "Na1 Mg2 In1",
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{
"id": "mp-1097334",
"created_at": "2022-09-04T14:47:15.953287Z",
"structure_string": "K1 Rb1 Na2\n1.0\n-7.645250 7.802594 10.817162\n7.645250 -7.802594 10.817162\n7.645250 7.802594 -10.817162\nK Rb Na\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n0.248797 0.000000 0.248797 Na\n0.751203 0.000000 0.751203 Na\n",
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"chemical_system": "K-Na-Rb",
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"volume": 2581.0952169947304,
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"formula_full": "K1 Rb1 Na2",
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"updated_at": "2021-11-28T01:38:05.003000Z",
"spacegroup": 71
},
{
"id": "mp-31474",
"created_at": "2022-09-04T14:47:33.853337Z",
"structure_string": "Rb2 Hg7\n1.0\n3.619518 -6.269189 0.000000\n3.619518 6.269189 0.000000\n0.000000 0.000000 6.798696\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.847781 Rb\n0.666667 0.333333 0.152219 Rb\n0.179952 0.359903 0.337152 Hg\n0.640097 0.820048 0.337152 Hg\n0.179952 0.820048 0.337152 Hg\n0.820048 0.640097 0.662848 Hg\n0.820048 0.179952 0.662848 Hg\n0.359903 0.179952 0.662848 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Rb",
"density": 8.47676263454847,
"density_atomic": 0.02916921810291613,
"volume": 308.54443777840737,
"volume_molar": 20.64553372240701,
"formula_full": "Rb2 Hg7",
"formula_reduced": "Rb2Hg7",
"formula_anonymous": "A2B7",
"energy": -6.02786487,
"energy_per_atom": -0.6697627633333334,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -6.02786487,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.199000Z",
"spacegroup": 164
},
{
"id": "mp-1097520",
"created_at": "2022-09-04T14:47:17.645725Z",
"structure_string": "Ba1 Li2 Ca1\n1.0\n-6.840243 7.282377 9.661468\n6.840243 -7.282377 9.661468\n6.840243 7.282377 -9.661468\nBa Li Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.236024 0.000000 0.236024 Li\n0.763976 0.000000 0.763976 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 0.16500106752056115,
"density_atomic": 0.0020778404272166345,
"volume": 1925.0756446962528,
"volume_molar": 289.8269126502145,
"formula_full": "Ba1 Li2 Ca1",
"formula_reduced": "BaLi2Ca",
"formula_anonymous": "ABC2",
"energy": -2.67757931,
"energy_per_atom": -0.6693948275,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -2.67757931,
"band_gap": 0.1436000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.686000Z",
"spacegroup": 71
},
{
"id": "mp-1097486",
"created_at": "2022-09-04T14:43:03.625121Z",
"structure_string": "Sr1 Li2 Ca1\n1.0\n-6.509777 7.112595 9.203910\n6.509777 -7.112595 9.203910\n6.509777 7.112595 -9.203910\nSr Li Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.244126 0.000000 0.244126 Li\n0.755874 0.000000 0.755874 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Li",
"Ca"
],
"chemical_system": "Ca-Li-Sr",
"density": 0.13791911418705752,
"density_atomic": 0.0023465696268286478,
"volume": 1704.6159441712102,
"volume_molar": 256.63592893848323,
"formula_full": "Sr1 Li2 Ca1",
"formula_reduced": "SrLi2Ca",
"formula_anonymous": "ABC2",
"energy": -2.67700221,
"energy_per_atom": -0.6692505525,
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"band_gap": 0.5205,
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"total_magnetization": 0.0029243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.907000Z",
"spacegroup": 71
},
{
"id": "mp-1097246",
"created_at": "2022-09-04T14:41:21.244488Z",
"structure_string": "Sr2 Zn1 In1\n1.0\n-6.628002 6.661720 9.109885\n6.628002 -6.661720 9.109885\n6.628002 6.661720 -9.109885\nSr Zn In\n2 1 1\ndirect\n0.258129 0.000000 0.258129 Sr\n0.741871 0.000000 0.741871 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"In"
],
"chemical_system": "In-Sr-Zn",
"density": 0.3668651808300881,
"density_atomic": 0.0024860971732004783,
"volume": 1608.9475677455512,
"volume_molar": 242.2327182105836,
"formula_full": "Sr2 Zn1 In1",
"formula_reduced": "Sr2ZnIn",
"formula_anonymous": "ABC2",
"energy": -2.67533602,
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"energy_uncorrected": -2.67533602,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.5546239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.117000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"K",
"Na"
],
"chemical_system": "Cs-K-Na",
"density": 0.14235961325915328,
"density_atomic": 0.0015731657744461251,
"volume": 2542.6436711085366,
"volume_molar": 382.8039522484688,
"formula_full": "Cs1 K1 Na2",
"formula_reduced": "CsKNa2",
"formula_anonymous": "ABC2",
"energy": -2.66596352,
"energy_per_atom": -0.66649088,
"energy_above_hull": null,
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"energy_uncorrected": -2.66596352,
"band_gap": 0.3308999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.051000Z",
"spacegroup": 71
},
{
"id": "mp-1093639",
"created_at": "2022-09-04T14:40:31.353718Z",
"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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"Mg",
"Cd"
],
"chemical_system": "Cd-La-Mg",
"density": 0.2468632753388417,
"density_atomic": 0.001982679812260511,
"volume": 2017.471492504624,
"volume_molar": 303.73743267875324,
"formula_full": "La1 Mg2 Cd1",
"formula_reduced": "LaMg2Cd",
"formula_anonymous": "ABC2",
"energy": -2.66496347,
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"energy_above_hull": null,
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"energy_uncorrected": -2.66496347,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"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,
"nelements": 3,
"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-Na",
"density": 0.446376893027602,
"density_atomic": 0.002965166911795407,
"volume": 1348.9965721956617,
"volume_molar": 203.09618106299442,
"formula_full": "Na1 Cd2 In1",
"formula_reduced": "NaCd2In",
"formula_anonymous": "ABC2",
"energy": -2.65177555,
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"energy_uncorrected": -2.65177555,
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"total_magnetization": 0.0487441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.247000Z",
"spacegroup": 71
},
{
"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,
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"elements": [
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"chemical_system": "In-Mg-Sr",
"density": 0.33492278975094364,
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"volume": 1558.6041277804834,
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"formula_full": "Sr2 Mg1 In1",
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"formula_anonymous": "ABC2",
"energy": -2.63903674,
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"updated_at": "2021-11-28T01:34:44.036000Z",
"spacegroup": 71
},
{
"id": "mp-31472",
"created_at": "2022-09-04T14:44:58.825924Z",
"structure_string": "Rb5 Hg19\n1.0\n-6.147603 6.147603 5.478199\n6.147603 -6.147603 5.478199\n6.147603 6.147603 -5.478199\nRb Hg\n5 19\ndirect\n0.500000 0.500000 0.000000 Rb\n0.675888 0.120340 0.796229 Rb\n0.879660 0.675888 0.555548 Rb\n0.120340 0.324112 0.444452 Rb\n0.324112 0.879660 0.203771 Rb\n0.472744 0.654507 0.408178 Hg\n0.246328 0.064566 0.591822 Hg\n0.064566 0.472744 0.818237 Hg\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.293373 0.040662 0.906492 Hg\n0.386880 0.293373 0.252711 Hg\n0.040662 0.134170 0.747289 Hg\n0.134170 0.386880 0.093508 Hg\n0.706627 0.959338 0.093508 Hg\n0.613120 0.706627 0.747289 Hg\n0.959338 0.865830 0.252711 Hg\n0.865830 0.613120 0.906492 Hg\n0.000000 0.000000 0.000000 Hg\n0.654507 0.246328 0.181763 Hg\n0.935434 0.527256 0.181763 Hg\n0.753672 0.935434 0.408178 Hg\n0.527256 0.345493 0.591822 Hg\n0.345493 0.753672 0.818237 Hg\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Hg-Rb",
"density": 8.498785775261773,
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"volume": 828.1507954566104,
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"formula_full": "Rb5 Hg19",
"formula_reduced": "Rb5Hg19",
"formula_anonymous": "A5B19",
"energy": -15.80915457,
"energy_per_atom": -0.65871477375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:48.192000Z",
"spacegroup": 87
},
{
"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,
"nelements": 3,
"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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"band_gap": 0.0,
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"total_magnetization": 1.0000537,
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"updated_at": "2021-11-28T01:34:32.754000Z",
"spacegroup": 71
}
]
}