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{
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"results": [
{
"id": "mp-1096481",
"created_at": "2022-09-04T14:41:50.142266Z",
"structure_string": "Mg1 Zn2 Ru1\n1.0\n-5.308028 5.864062 9.805868\n5.308028 -5.864062 9.805868\n5.308028 5.864062 -9.805868\nMg Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.266702 0.266702 Zn\n0.000000 0.733298 0.733298 Zn\n0.000000 0.500000 0.500000 Ru\n",
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"density": 0.3484484717746915,
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"volume": 1220.8935310370118,
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{
"id": "mp-1097603",
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"structure_string": "Ba2 Mg1 Zn1\n1.0\n-6.715351 6.753879 9.569154\n6.715351 -6.753879 9.569154\n6.715351 6.753879 -9.569154\nBa Mg Zn\n2 1 1\ndirect\n0.000000 0.266732 0.266732 Ba\n0.000000 0.733268 0.733268 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
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"updated_at": "2021-11-28T01:38:21.682000Z",
"spacegroup": 71
},
{
"id": "mp-1206461",
"created_at": "2022-09-04T14:43:17.196749Z",
"structure_string": "Sm2 Mn1 Sb3\n1.0\n9.242805 0.000000 0.000000\n0.000000 9.242805 0.000000\n0.000000 0.000000 40.179076\nSm Mn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242742 Sm\n0.500000 0.500000 0.757258 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.690696 Sb\n0.500000 0.500000 0.309304 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Mn-Sb-Sm",
"density": 0.3487703167120185,
"density_atomic": 0.0017480092405516398,
"volume": 3432.4761338827416,
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"formula_full": "Sm2 Mn1 Sb3",
"formula_reduced": "Sm2MnSb3",
"formula_anonymous": "AB2C3",
"energy": -16.660805110000002,
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"energy_uncorrected": -16.08480511,
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"updated_at": "2021-11-28T01:36:13.237000Z",
"spacegroup": 123
},
{
"id": "mp-1096093",
"created_at": "2022-09-04T14:44:22.662348Z",
"structure_string": "Li1 Y2 Cd1\n1.0\n-6.263055 6.325734 8.922546\n6.263055 -6.325734 8.922546\n6.263055 6.325734 -8.922546\nLi Y Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.254224 0.254224 Y\n0.000000 0.745776 0.745776 Y\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Y",
"Cd"
],
"chemical_system": "Cd-Li-Y",
"density": 0.3489786967178001,
"density_atomic": 0.002828876924876369,
"volume": 1413.9886980678075,
"volume_molar": 212.88097432033692,
"formula_full": "Li1 Y2 Cd1",
"formula_reduced": "LiY2Cd",
"formula_anonymous": "ABC2",
"energy": -7.23039326,
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"energy_uncorrected": -7.23039326,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:38.164000Z",
"spacegroup": 71
},
{
"id": "mp-1096197",
"created_at": "2022-09-04T14:45:59.071454Z",
"structure_string": "Ti2 Nb1 Mo1\n1.0\n-4.501337 7.174377 10.480420\n4.501337 -7.174377 10.480420\n4.501337 7.174377 -10.480420\nTi Nb Mo\n2 1 1\ndirect\n0.000000 0.251461 0.251461 Ti\n0.000000 0.748539 0.748539 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mo-Nb-Ti",
"density": 0.3490516145832397,
"density_atomic": 0.0029545788873455822,
"volume": 1353.8308342796129,
"volume_molar": 203.82399623150155,
"formula_full": "Ti2 Nb1 Mo1",
"formula_reduced": "Ti2NbMo",
"formula_anonymous": "ABC2",
"energy": -20.79117674,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -20.79117674,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:16.364000Z",
"spacegroup": 71
},
{
"id": "mp-1096483",
"created_at": "2022-09-04T14:39:36.074478Z",
"structure_string": "Sc2 Ga1 Ni1\n1.0\n-4.963302 5.864603 8.906839\n4.963302 -5.864603 8.906839\n4.963302 5.864603 -8.906839\nSc Ga Ni\n2 1 1\ndirect\n0.000000 0.224238 0.224238 Sc\n0.000000 0.775762 0.775762 Sc\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sc",
"density": 0.3495956873693173,
"density_atomic": 0.0038571548846649067,
"volume": 1037.0338033100538,
"volume_molar": 156.12908841028244,
"formula_full": "Sc2 Ga1 Ni1",
"formula_reduced": "Sc2GaNi",
"formula_anonymous": "ABC2",
"energy": -13.23649391,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -13.23649391,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9981258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.492000Z",
"spacegroup": 71
},
{
"id": "mp-1097116",
"created_at": "2022-09-04T14:45:21.379872Z",
"structure_string": "Ca2 Zn1 Pd1\n1.0\n-5.791362 6.046307 8.538105\n5.791362 -6.046307 8.538105\n5.791362 6.046307 -8.538105\nCa Zn Pd\n2 1 1\ndirect\n0.000000 0.275624 0.275624 Ca\n0.000000 0.724376 0.724376 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pd"
],
"chemical_system": "Ca-Pd-Zn",
"density": 0.34988989266879383,
"density_atomic": 0.0033447803399106017,
"volume": 1195.8931808678685,
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"formula_full": "Ca2 Zn1 Pd1",
"formula_reduced": "Ca2ZnPd",
"formula_anonymous": "ABC2",
"energy": -6.19793292,
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"energy_above_hull": null,
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"energy_uncorrected": -6.19793292,
"band_gap": 0.0995999999999999,
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"total_magnetization": 0.0002217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.145000Z",
"spacegroup": 71
},
{
"id": "mp-1095781",
"created_at": "2022-09-04T14:43:01.198516Z",
"structure_string": "Ba2 Mg1 In1\n1.0\n-7.119667 7.256252 9.501031\n7.119667 -7.256252 9.501031\n7.119667 7.256252 -9.501031\nBa Mg In\n2 1 1\ndirect\n0.732615 0.000000 0.732615 Ba\n0.267385 0.000000 0.267385 Ba\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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"Mg",
"In"
],
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"density": 0.3499553839748595,
"density_atomic": 0.002037310515320815,
"volume": 1963.3727749989648,
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"formula_full": "Ba2 Mg1 In1",
"formula_reduced": "Ba2MgIn",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -3.14161037,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:01.673000Z",
"spacegroup": 71
},
{
"id": "mp-1093860",
"created_at": "2022-09-04T14:46:10.828680Z",
"structure_string": "Li2 Ga1 Ag1\n1.0\n-5.379452 5.470241 7.710886\n5.379452 -5.470241 7.710886\n5.379452 5.470241 -7.710886\nLi Ga Ag\n2 1 1\ndirect\n0.000000 0.258425 0.258425 Li\n0.000000 0.741575 0.741575 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ag"
],
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"density": 0.350306601953431,
"density_atomic": 0.004407082906328162,
"volume": 907.6298506334816,
"volume_molar": 136.64686796231504,
"formula_full": "Li2 Ga1 Ag1",
"formula_reduced": "Li2GaAg",
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"energy": -5.81697282,
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"updated_at": "2021-11-28T01:37:21.181000Z",
"spacegroup": 71
},
{
"id": "mp-1096172",
"created_at": "2022-09-04T14:41:08.067496Z",
"structure_string": "Li2 Ga1 Sn1\n1.0\n-5.502387 5.539683 7.834469\n5.502387 -5.539683 7.834469\n5.502387 5.539683 -7.834469\nLi Ga Sn\n2 1 1\ndirect\n0.000000 0.250174 0.250174 Li\n0.000000 0.749826 0.749826 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Li-Sn",
"density": 0.35169935919999723,
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"volume": 955.2248318659479,
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"formula_full": "Li2 Ga1 Sn1",
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"updated_at": "2021-11-28T01:35:10.891000Z",
"spacegroup": 71
},
{
"id": "mp-1093965",
"created_at": "2022-09-04T14:40:11.093926Z",
"structure_string": "Na2 Tl1 As1\n1.0\n-6.140253 6.611468 9.443766\n6.140253 -6.611468 9.443766\n6.140253 6.611468 -9.443766\nNa Tl As\n2 1 1\ndirect\n0.000000 0.234269 0.234269 Na\n0.000000 0.765731 0.765731 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"volume": 1533.5197551630545,
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"formula_full": "Na2 Tl1 As1",
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"updated_at": "2021-11-28T01:34:55.346000Z",
"spacegroup": 71
},
{
"id": "mp-1096020",
"created_at": "2022-09-04T14:39:57.916123Z",
"structure_string": "Li2 In1 Ge1\n1.0\n-5.476497 5.534021 7.808676\n5.476497 -5.534021 7.808676\n5.476497 5.534021 -7.808676\nLi In Ge\n2 1 1\ndirect\n0.000000 0.234239 0.234239 Li\n0.000000 0.765761 0.765761 Li\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ge-In-Li",
"density": 0.3531816329127661,
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"volume": 946.6317172609661,
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"formula_full": "Li2 In1 Ge1",
"formula_reduced": "Li2InGe",
"formula_anonymous": "ABC2",
"energy": -6.44891731,
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"band_gap": 0.1798999999999999,
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"updated_at": "2021-11-28T01:34:54.204000Z",
"spacegroup": 71
}
]
}