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{
"id": "mp-1014264",
"created_at": "2022-09-04T14:42:24.920003Z",
"structure_string": "Cr1 N2\n1.0\n0.000000 2.358416 2.358416\n2.358416 0.000000 2.358416\n2.358416 2.358416 0.000000\nCr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
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{
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"structure_string": "Ir2 O4\n1.0\n-1.962624 1.962624 4.890292\n1.962624 -1.962624 4.890292\n1.962624 1.962624 -4.890292\nIr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n0.959604 0.459604 0.500000 O\n0.209604 0.209604 0.000000 O\n0.540396 0.040396 0.500000 O\n0.790396 0.790396 0.000000 O\n",
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"updated_at": "2021-11-28T01:36:32.516000Z",
"spacegroup": 141
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{
"id": "mp-1014257",
"created_at": "2022-09-04T14:39:36.010977Z",
"structure_string": "Ti6 Zn2 N2\n1.0\n1.540034 -5.357405 0.000000\n1.540034 5.357405 0.000000\n0.000000 0.000000 8.344637\nTi Zn N\n6 2 2\ndirect\n0.624437 0.375563 0.541888 Ti\n0.375563 0.624437 0.041888 Ti\n0.375563 0.624437 0.458112 Ti\n0.624437 0.375563 0.958112 Ti\n0.962115 0.037885 0.750000 Ti\n0.037885 0.962115 0.250000 Ti\n0.254401 0.745599 0.750000 Zn\n0.745599 0.254401 0.250000 Zn\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 10,
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"elements": [
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"chemical_system": "N-Ti-Zn",
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"volume": 137.69628794071292,
"volume_molar": 8.292264281084638,
"formula_full": "Ti6 Zn2 N2",
"formula_reduced": "Ti3ZnN",
"formula_anonymous": "ABC3",
"energy": -76.28054908,
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"updated_at": "2021-11-28T01:34:28.511000Z",
"spacegroup": 63
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{
"id": "mp-1014252",
"created_at": "2022-09-04T14:39:48.700850Z",
"structure_string": "Hf6 Zn2 N2\n1.0\n1.658702 -5.643912 0.000000\n1.658702 5.643912 0.000000\n0.000000 0.000000 8.827658\nHf Zn N\n6 2 2\ndirect\n0.627817 0.372183 0.954199 Hf\n0.372183 0.627817 0.454199 Hf\n0.372183 0.627817 0.045801 Hf\n0.627817 0.372183 0.545801 Hf\n0.954745 0.045255 0.750000 Hf\n0.045255 0.954745 0.250000 Hf\n0.254122 0.745878 0.750000 Zn\n0.745878 0.254122 0.250000 Zn\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 10,
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"elements": [
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"Zn",
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"chemical_system": "Hf-N-Zn",
"density": 12.35518888279333,
"density_atomic": 0.06050285979514668,
"volume": 165.28144345339135,
"volume_molar": 9.953481174923033,
"formula_full": "Hf6 Zn2 N2",
"formula_reduced": "Hf3ZnN",
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"spacegroup": 63
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{
"id": "mp-1014251",
"created_at": "2022-09-04T14:47:27.235851Z",
"structure_string": "Hf1 Zn1 N2\n1.0\n1.632592 -2.827732 0.000000\n1.632592 2.827732 0.000000\n0.000000 0.000000 5.321488\nHf Zn N\n1 1 2\ndirect\n0.000000 0.000000 0.792395 Hf\n0.333333 0.666667 0.343301 Zn\n0.333333 0.666667 0.976514 N\n0.666667 0.333333 0.540490 N\n",
"nsites": 4,
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"elements": [
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"density": 9.189653092865878,
"density_atomic": 0.08141060794569496,
"volume": 49.13364610504081,
"volume_molar": 7.397243322414537,
"formula_full": "Hf1 Zn1 N2",
"formula_reduced": "HfZnN2",
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"updated_at": "2021-11-28T01:38:10.355000Z",
"spacegroup": 156
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{
"id": "mp-1014246",
"created_at": "2022-09-04T14:47:13.122179Z",
"structure_string": "Zr2 B2\n1.0\n1.809894 -3.134828 0.000000\n1.809894 3.134828 0.000000\n0.000000 0.000000 5.225519\nZr B\n2 2\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
"nsites": 4,
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"elements": [
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"B"
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"density": 5.714812389732113,
"density_atomic": 0.06745803820228743,
"volume": 59.29612106425538,
"volume_molar": 8.927239689273673,
"formula_full": "Zr2 B2",
"formula_reduced": "ZrB",
"formula_anonymous": "AB",
"energy": -32.09785829,
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"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:37:55.448000Z",
"spacegroup": 194
},
{
"id": "mp-1014244",
"created_at": "2022-09-04T14:40:41.778755Z",
"structure_string": "Zr1 Zn1 N2\n1.0\n1.655666 -2.867697 0.000000\n1.655666 2.867697 0.000000\n0.000000 0.000000 5.336780\nZr Zn N\n1 1 2\ndirect\n0.000000 0.000000 0.002880 Zr\n0.666667 0.333333 0.450386 Zn\n0.333333 0.666667 0.259576 N\n0.666667 0.333333 0.817127 N\n",
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"density": 6.050268580387232,
"density_atomic": 0.07893047259949533,
"volume": 50.67751235060482,
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"formula_full": "Zr1 Zn1 N2",
"formula_reduced": "ZrZnN2",
"formula_anonymous": "ABC2",
"energy": -30.65907411,
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"updated_at": "2021-11-28T01:35:06.782000Z",
"spacegroup": 156
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{
"id": "mp-1014231",
"created_at": "2022-09-04T14:39:07.701891Z",
"structure_string": "Hf2 Zn1\n1.0\n-1.627430 1.627430 5.631676\n1.627430 -1.627430 5.631676\n1.627430 1.627430 -5.631676\nHf Zn\n2 1\ndirect\n0.659030 0.659030 0.000000 Hf\n0.340970 0.340970 0.000000 Hf\n0.000000 0.000000 0.000000 Zn\n",
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"density": 11.755995457951897,
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"volume": 59.66261541277445,
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"formula_full": "Hf2 Zn1",
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"updated_at": "2021-11-28T01:34:23.363000Z",
"spacegroup": 139
},
{
"id": "mp-1014230",
"created_at": "2022-09-04T14:41:50.720478Z",
"structure_string": "Ti1 Zn1\n1.0\n3.146779 0.000000 0.000000\n0.000000 3.146779 0.000000\n0.000000 0.000000 3.146779\nTi Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n",
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"elements": [
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"updated_at": "2021-11-28T01:35:27.913000Z",
"spacegroup": 221
},
{
"id": "mp-1014229",
"created_at": "2022-09-04T14:40:09.370550Z",
"structure_string": "Ti2 Zn1\n1.0\n-1.504461 1.504461 5.410680\n1.504461 -1.504461 5.410680\n1.504461 1.504461 -5.410680\nTi Zn\n2 1\ndirect\n0.664278 0.664278 0.000000 Ti\n0.335722 0.335722 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
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"updated_at": "2021-11-28T01:34:48.872000Z",
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{
"id": "mp-1014227",
"created_at": "2022-09-04T14:47:10.972108Z",
"structure_string": "Ti4 Zn2 N2\n1.0\n1.493437 -8.218600 0.000000\n1.493437 8.218600 0.000000\n0.000000 0.000000 4.193934\nTi Zn N\n4 2 2\ndirect\n0.788321 0.211679 0.250000 Ti\n0.211679 0.788321 0.750000 Ti\n0.612903 0.387097 0.250000 Ti\n0.387097 0.612903 0.750000 Ti\n0.958681 0.041319 0.250000 Zn\n0.041319 0.958681 0.750000 Zn\n0.200008 0.799992 0.250000 N\n0.799992 0.200008 0.750000 N\n",
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"formula_full": "Ti4 Zn2 N2",
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"updated_at": "2021-11-28T01:37:55.390000Z",
"spacegroup": 63
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{
"id": "mp-1014226",
"created_at": "2022-09-04T14:47:39.231337Z",
"structure_string": "Zr6 Zn2 N2\n1.0\n1.680564 -5.779566 0.000000\n1.680564 5.779566 0.000000\n0.000000 0.000000 8.964026\nZr Zn N\n6 2 2\ndirect\n0.626082 0.373918 0.952388 Zr\n0.373918 0.626082 0.452388 Zr\n0.373918 0.626082 0.047612 Zr\n0.626082 0.373918 0.547612 Zr\n0.952951 0.047049 0.750000 Zr\n0.047049 0.952951 0.250000 Zr\n0.255723 0.744277 0.750000 Zn\n0.744277 0.255723 0.250000 Zn\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
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"updated_at": "2021-11-28T01:38:15.723000Z",
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]
}