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"results": [
{
"id": "mp-1096342",
"created_at": "2022-09-04T14:39:59.454229Z",
"structure_string": "In2 Hg1 Bi1\n1.0\n-5.687313 6.233473 8.789584\n5.687313 -6.233473 8.789584\n5.687313 6.233473 -8.789584\nIn Hg Bi\n2 1 1\ndirect\n0.000000 0.256774 0.256774 In\n0.000000 0.743226 0.743226 In\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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"volume": 1246.423203257388,
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{
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"structure_string": "Li1 Yb2 Cd1\n1.0\n0.000000 3.832413 3.832413\n3.832413 0.000000 3.832413\n3.832413 3.832413 0.000000\nLi Yb Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"volume": 112.57628416493532,
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"spacegroup": 225
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{
"id": "mp-1096695",
"created_at": "2022-09-04T14:39:22.320335Z",
"structure_string": "Tl2 Hg1 Sb1\n1.0\n-5.732499 6.236931 8.799023\n5.732499 -6.236931 8.799023\n5.732499 6.236931 -8.799023\nTl Hg Sb\n2 1 1\ndirect\n0.000000 0.239533 0.239533 Tl\n0.000000 0.760467 0.760467 Tl\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"Sb"
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"chemical_system": "Hg-Sb-Tl",
"density": 0.9647757323433187,
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"volume": 1258.372941855613,
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"formula_full": "Tl2 Hg1 Sb1",
"formula_reduced": "Tl2HgSb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:25.814000Z",
"spacegroup": 71
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{
"id": "mp-982873",
"created_at": "2022-09-04T14:44:18.239638Z",
"structure_string": "Na3 Tl1\n1.0\n0.000000 3.943732 3.943732\n3.943732 0.000000 3.943732\n3.943732 3.943732 0.000000\nNa Tl\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Na-Tl",
"density": 3.700156900384141,
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"volume": 122.67390180891663,
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"formula_full": "Na3 Tl1",
"formula_reduced": "Na3Tl",
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"energy": -6.64263198,
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"energy_uncorrected": -6.64263198,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:36.955000Z",
"spacegroup": 225
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{
"id": "mp-975050",
"created_at": "2022-09-04T14:47:11.405021Z",
"structure_string": "Rb3 Co1\n1.0\n0.000000 4.649531 4.649531\n4.649531 0.000000 4.649531\n4.649531 4.649531 0.000000\nRb Co\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Co-Rb",
"density": 2.604749915833711,
"density_atomic": 0.019897685066548734,
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"formula_full": "Rb3 Co1",
"formula_reduced": "Rb3Co",
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"energy_uncorrected": -6.64595924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.779000Z",
"spacegroup": 225
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{
"id": "mp-22916",
"created_at": "2022-09-04T14:42:44.535541Z",
"structure_string": "Na1 Br1\n1.0\n0.000000 3.013798 3.013798\n3.013798 0.000000 3.013798\n3.013798 3.013798 0.000000\nNa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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"Br"
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"chemical_system": "Br-Na",
"density": 3.120798709320274,
"density_atomic": 0.03653066507167183,
"volume": 54.748524180331046,
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"formula_full": "Na1 Br1",
"formula_reduced": "NaBr",
"formula_anonymous": "AB",
"energy": -6.64878802,
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"energy_above_hull": null,
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"energy_uncorrected": -6.11478802,
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"total_magnetization": 0.0002847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.208000Z",
"spacegroup": 225
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{
"id": "mp-23177",
"created_at": "2022-09-04T14:42:23.237325Z",
"structure_string": "Hg2 Br2\n1.0\n-2.480293 2.480293 5.668254\n2.480293 -2.480293 5.668254\n2.480293 2.480293 -5.668254\nHg Br\n2 2\ndirect\n0.884055 0.884055 0.000000 Hg\n0.115945 0.115945 0.000000 Hg\n0.656804 0.656804 0.000000 Br\n0.343196 0.343196 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Br"
],
"chemical_system": "Br-Hg",
"density": 6.678630234716551,
"density_atomic": 0.028677726704566912,
"volume": 139.48106979354824,
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"formula_full": "Hg2 Br2",
"formula_reduced": "HgBr",
"formula_anonymous": "AB",
"energy": -6.649623849999999,
"energy_per_atom": -1.6624059624999998,
"energy_above_hull": null,
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"energy_uncorrected": -5.58162385,
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"updated_at": "2021-11-28T01:35:45.046000Z",
"spacegroup": 139
},
{
"id": "mp-1093887",
"created_at": "2022-09-04T14:44:08.261063Z",
"structure_string": "La2 Al1 Zn1\n1.0\n-5.551066 5.966894 8.433656\n5.551066 -5.966894 8.433656\n5.551066 5.966894 -8.433656\nLa Al Zn\n2 1 1\ndirect\n0.000000 0.251892 0.251892 La\n0.000000 0.748108 0.748108 La\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Al",
"Zn"
],
"chemical_system": "Al-La-Zn",
"density": 0.5501570197945479,
"density_atomic": 0.0035798052746619344,
"volume": 1117.379212861724,
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"formula_full": "La2 Al1 Zn1",
"formula_reduced": "La2AlZn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:35.270000Z",
"spacegroup": 71
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{
"id": "mp-460",
"created_at": "2022-09-04T14:47:25.116667Z",
"structure_string": "Pr1 Zn1\n1.0\n3.715084 0.000000 0.000000\n0.000000 3.715084 0.000000\n0.000000 0.000000 3.715084\nPr Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"elements": [
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"density": 6.681553672740455,
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"volume": 51.27502886233972,
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"formula_full": "Pr1 Zn1",
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"energy": -6.65310834,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:09.825000Z",
"spacegroup": 221
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{
"id": "mp-1039033",
"created_at": "2022-09-04T14:41:55.126419Z",
"structure_string": "Ca1 Mg3\n1.0\n-1.683882 2.917219 5.514799\n1.683882 -2.917219 5.514799\n1.683882 2.917219 -5.514799\nCa Mg\n1 3\ndirect\n0.337099 0.000000 0.337099 Ca\n0.830698 0.500000 0.330698 Mg\n0.244389 0.244954 0.999435 Mg\n0.754481 0.755046 0.999435 Mg\n",
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"volume": 108.36034211426389,
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"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
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"energy": -6.6553089,
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{
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"structure_string": "Nd1 Zn1\n1.0\n3.686336 0.000000 0.000000\n0.000000 3.686336 0.000000\n0.000000 0.000000 3.686336\nNd Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Zn\n",
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{
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"structure_string": "Al1 Ag1\n1.0\n1.483448 -2.569407 0.000000\n1.483448 2.569407 0.000000\n0.000000 0.000000 4.427628\nAl Ag\n1 1\ndirect\n0.000000 0.000000 0.500000 Al\n0.666667 0.333333 0.000000 Ag\n",
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"updated_at": "2021-11-28T01:35:25.768000Z",
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]
}