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{
"id": "mp-1096003",
"created_at": "2022-09-04T14:39:12.047638Z",
"structure_string": "Ba1 Li2 Tl1\n1.0\n-6.622784 6.711527 9.331458\n6.622784 -6.711527 9.331458\n6.622784 6.711527 -9.331458\nBa Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.715138 0.000000 0.715138 Li\n0.284862 0.000000 0.284862 Li\n0.500000 0.000000 0.500000 Tl\n",
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{
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{
"id": "mp-1097514",
"created_at": "2022-09-04T14:40:09.849609Z",
"structure_string": "Mg1 Al1 Ni2\n1.0\n-4.770156 5.331200 7.754839\n4.770156 -5.331200 7.754839\n4.770156 5.331200 -7.754839\nMg Al Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n0.000000 0.266540 0.266540 Ni\n0.000000 0.733460 0.733460 Ni\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Mg-Ni",
"density": 0.35506282485922647,
"density_atomic": 0.005070720312841235,
"volume": 788.8425614542944,
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"formula_full": "Mg1 Al1 Ni2",
"formula_reduced": "MgAlNi2",
"formula_anonymous": "ABC2",
"energy": -9.38762518,
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"updated_at": "2021-11-28T01:34:49.520000Z",
"spacegroup": 71
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{
"id": "mp-1207258",
"created_at": "2022-09-04T14:45:38.442896Z",
"structure_string": "Dy2 Te3\n1.0\n9.610718 0.000000 0.000000\n0.000000 9.610718 0.000000\n0.000000 0.000000 35.859001\nDy Te\n2 3\ndirect\n0.500000 0.500000 0.284470 Dy\n0.500000 0.500000 0.715530 Dy\n0.500000 0.500000 0.642296 Te\n0.500000 0.500000 0.357704 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
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],
"chemical_system": "Dy-Te",
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"volume": 3312.1489175177157,
"volume_molar": 398.9245399874663,
"formula_full": "Dy2 Te3",
"formula_reduced": "Dy2Te3",
"formula_anonymous": "A2B3",
"energy": -12.61873073,
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"updated_at": "2021-11-28T01:37:06.775000Z",
"spacegroup": 123
},
{
"id": "mp-1214031",
"created_at": "2022-09-04T14:44:08.063847Z",
"structure_string": "Ca2 C8\n1.0\n9.380201 0.000000 0.000000\n0.000000 9.380201 0.000000\n0.000000 0.000000 9.380201\nCa C\n2 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.348161 0.348161 0.348161 C\n0.651839 0.651839 0.348161 C\n0.651839 0.348161 0.651839 C\n0.848161 0.848161 0.151839 C\n0.151839 0.151839 0.151839 C\n0.348161 0.651839 0.651839 C\n0.848161 0.151839 0.848161 C\n0.151839 0.848161 0.848161 C\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.012116120006318405,
"volume": 825.3467277300922,
"volume_molar": 49.703541701960106,
"formula_full": "Ca2 C8",
"formula_reduced": "CaC4",
"formula_anonymous": "AB4",
"energy": -26.55145638,
"energy_per_atom": -2.655145638,
"energy_above_hull": null,
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"energy_uncorrected": -26.55145638,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:35.571000Z",
"spacegroup": 224
},
{
"id": "mp-1096679",
"created_at": "2022-09-04T14:39:12.664342Z",
"structure_string": "Mg2 In1 Ga1\n1.0\n-5.440436 5.841419 8.607575\n5.440436 -5.841419 8.607575\n5.440436 5.841419 -8.607575\nMg In Ga\n2 1 1\ndirect\n0.000000 0.243469 0.243469 Mg\n0.000000 0.756531 0.756531 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
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"density": 0.35382906799296165,
"density_atomic": 0.0036556711370220804,
"volume": 1094.190327869156,
"volume_molar": 164.7342043164652,
"formula_full": "Mg2 In1 Ga1",
"formula_reduced": "Mg2InGa",
"formula_anonymous": "ABC2",
"energy": -3.70612858,
"energy_per_atom": -0.926532145,
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"updated_at": "2021-11-28T01:34:36.639000Z",
"spacegroup": 71
},
{
"id": "mp-1096692",
"created_at": "2022-09-04T14:46:55.322345Z",
"structure_string": "Sr2 Zn1 Ga1\n1.0\n-6.302548 6.510251 8.885147\n6.302548 -6.510251 8.885147\n6.302548 6.510251 -8.885147\nSr Zn Ga\n2 1 1\ndirect\n0.732858 0.000000 0.732858 Sr\n0.267142 0.000000 0.267142 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ga-Sr-Zn",
"density": 0.3534216325481737,
"density_atomic": 0.0027429727160563624,
"volume": 1458.2718874983545,
"volume_molar": 219.54796432164937,
"formula_full": "Sr2 Zn1 Ga1",
"formula_reduced": "Sr2ZnGa",
"formula_anonymous": "ABC2",
"energy": -2.82765398,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:50.268000Z",
"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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"In",
"Ge"
],
"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,
"energy_per_atom": -1.6122293275,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:54.204000Z",
"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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"As"
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"density": 0.3522272968231147,
"density_atomic": 0.0026083785269363498,
"volume": 1533.5197551630545,
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"formula_full": "Na2 Tl1 As1",
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"formula_anonymous": "ABC2",
"energy": -6.14303967,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:55.346000Z",
"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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"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-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",
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"volume": 907.6298506334816,
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"formula_full": "Li2 Ga1 Ag1",
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"updated_at": "2021-11-28T01:37:21.181000Z",
"spacegroup": 71
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{
"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",
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"volume": 1963.3727749989648,
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"formula_full": "Ba2 Mg1 In1",
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"updated_at": "2021-11-28T01:36:01.673000Z",
"spacegroup": 71
}
]
}