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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=1753",
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"results": [
{
"id": "mp-28495",
"created_at": "2022-09-04T14:40:11.954973Z",
"structure_string": "Zr6 Br12\n1.0\n5.138428 -6.923935 0.000000\n5.138428 6.923935 0.000000\n-4.191444 0.000000 7.534993\nZr Br\n6 12\ndirect\n0.903435 0.968718 0.714390 Zr\n0.714390 0.903435 0.968718 Zr\n0.968718 0.714390 0.903435 Zr\n0.096565 0.031282 0.285610 Zr\n0.285610 0.096565 0.031282 Zr\n0.031282 0.285610 0.096565 Zr\n0.856793 0.631164 0.554929 Br\n0.554929 0.856793 0.631164 Br\n0.631164 0.554929 0.856793 Br\n0.143207 0.368836 0.445071 Br\n0.445071 0.143207 0.368836 Br\n0.368836 0.445071 0.143207 Br\n0.923154 0.310775 0.776551 Br\n0.310775 0.776551 0.923154 Br\n0.776551 0.923154 0.310775 Br\n0.076846 0.689225 0.223449 Br\n0.689225 0.223449 0.076846 Br\n0.223449 0.076846 0.689225 Br\n",
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"formula_full": "Zr6 Br12",
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{
"id": "mp-1207486",
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"structure_string": "Zr8 Br32\n1.0\n12.947888 0.000000 0.000000\n0.000000 12.947888 0.000000\n0.000000 0.000000 12.947888\nZr Br\n8 32\ndirect\n0.127229 0.127229 0.127229 Zr\n0.872771 0.872771 0.872771 Zr\n0.372771 0.872771 0.627229 Zr\n0.872771 0.627229 0.372771 Zr\n0.627229 0.127229 0.372771 Zr\n0.127229 0.372771 0.627229 Zr\n0.627229 0.372771 0.872771 Zr\n0.372771 0.627229 0.127229 Zr\n0.982301 0.514496 0.262211 Br\n0.017699 0.485504 0.737789 Br\n0.517699 0.485504 0.762211 Br\n0.017699 0.014496 0.237789 Br\n0.262211 0.982301 0.514496 Br\n0.482301 0.514496 0.237789 Br\n0.982301 0.985504 0.762211 Br\n0.737789 0.017699 0.485504 Br\n0.482301 0.985504 0.737789 Br\n0.762211 0.517699 0.485504 Br\n0.517699 0.014496 0.262211 Br\n0.237789 0.482301 0.514496 Br\n0.237789 0.017699 0.014496 Br\n0.762211 0.982301 0.985504 Br\n0.737789 0.482301 0.985504 Br\n0.262211 0.517699 0.014496 Br\n0.514496 0.262211 0.982301 Br\n0.485504 0.737789 0.017699 Br\n0.014496 0.237789 0.017699 Br\n0.985504 0.762211 0.982301 Br\n0.985504 0.737789 0.482301 Br\n0.014496 0.262211 0.517699 Br\n0.485504 0.762211 0.517699 Br\n0.514496 0.237789 0.482301 Br\n0.238131 0.238131 0.238131 Br\n0.761869 0.761869 0.761869 Br\n0.261869 0.761869 0.738131 Br\n0.761869 0.738131 0.261869 Br\n0.738131 0.238131 0.261869 Br\n0.238131 0.261869 0.738131 Br\n0.738131 0.261869 0.761869 Br\n0.261869 0.738131 0.238131 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
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"chemical_system": "Br-Zr",
"density": 2.514287885197353,
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"volume": 2170.684985242714,
"volume_molar": 32.68042631687536,
"formula_full": "Zr8 Br32",
"formula_reduced": "ZrBr4",
"formula_anonymous": "AB4",
"energy": -192.43219182,
"energy_per_atom": -4.8108047955,
"energy_above_hull": null,
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"energy_uncorrected": -175.34419182,
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"updated_at": "2021-11-28T01:35:13.304000Z",
"spacegroup": 205
},
{
"id": "mp-504594",
"created_at": "2022-09-04T14:48:11.073520Z",
"structure_string": "Zr2 Br2\n1.0\n9.734752 -1.767386 0.000000\n9.734752 1.767386 0.000000\n9.413875 0.000000 3.044339\nZr Br\n2 2\ndirect\n0.207372 0.207372 0.207372 Zr\n0.792628 0.792628 0.792628 Zr\n0.393836 0.393836 0.393836 Br\n0.606164 0.606164 0.606164 Br\n",
"nsites": 4,
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],
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"density": 5.425263775225613,
"density_atomic": 0.03818393497946366,
"volume": 104.75609709034197,
"volume_molar": 15.771399053656644,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.45315806,
"energy_per_atom": -6.363289515,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:25.473000Z",
"spacegroup": 166
},
{
"id": "mp-23247",
"created_at": "2022-09-04T14:47:26.852307Z",
"structure_string": "Zr2 Br6\n1.0\n3.747317 -6.490544 0.000000\n3.747317 6.490544 0.000000\n0.000000 0.000000 6.284645\nZr Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.703933 0.000000 0.750000 Br\n0.703933 0.703933 0.250000 Br\n0.296067 0.000000 0.250000 Br\n0.296067 0.296067 0.750000 Br\n0.000000 0.703933 0.750000 Br\n0.000000 0.296067 0.250000 Br\n",
"nsites": 8,
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"density": 3.5950987852448435,
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"volume": 305.71185348216335,
"volume_molar": 23.01299767087605,
"formula_full": "Zr2 Br6",
"formula_reduced": "ZrBr3",
"formula_anonymous": "AB3",
"energy": -41.31011896,
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"updated_at": "2021-11-28T01:38:10.625000Z",
"spacegroup": 193
},
{
"id": "mp-1066783",
"created_at": "2022-09-04T14:42:42.643012Z",
"structure_string": "Zr2 Br2\n1.0\n1.725669 -2.988946 0.000000\n1.725669 2.988946 0.000000\n0.000000 0.000000 10.036408\nZr Br\n2 2\ndirect\n0.666667 0.333333 0.623224 Zr\n0.333333 0.666667 0.376776 Zr\n0.666667 0.333333 0.182488 Br\n0.333333 0.666667 0.817512 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-Zr",
"density": 5.48929154990673,
"density_atomic": 0.03863457341597025,
"volume": 103.53420903429809,
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"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.18883699,
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"updated_at": "2021-11-28T01:35:50.777000Z",
"spacegroup": 164
},
{
"id": "mp-1065846",
"created_at": "2022-09-04T14:40:21.135612Z",
"structure_string": "Zr2 Br2\n1.0\n1.774475 3.049985 0.000000\n-1.774475 3.049985 0.000000\n0.000000 2.694846 9.747833\nZr Br\n2 2\ndirect\n0.279555 0.279555 0.620513 Zr\n0.720445 0.720445 0.379487 Zr\n0.858452 0.858452 0.816416 Br\n0.141548 0.141548 0.183584 Br\n",
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"density": 5.386349173186648,
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"volume": 105.51292545373862,
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"formula_full": "Zr2 Br2",
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"updated_at": "2021-11-28T01:34:54.077000Z",
"spacegroup": 12
},
{
"id": "mp-1188037",
"created_at": "2022-09-04T14:42:19.148629Z",
"structure_string": "Zr6 Br2\n1.0\n3.090305 -5.352564 0.000000\n3.090305 5.352564 0.000000\n0.000000 0.000000 5.404110\nZr Br\n6 2\ndirect\n0.162078 0.324156 0.250000 Zr\n0.675844 0.837922 0.250000 Zr\n0.162078 0.837922 0.250000 Zr\n0.837922 0.675844 0.750000 Zr\n0.324156 0.162078 0.750000 Zr\n0.837922 0.162078 0.750000 Zr\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
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"formula_full": "Zr6 Br2",
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"spacegroup": 194
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{
"id": "mp-2795",
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"structure_string": "Zr1 C1\n1.0\n0.000000 2.362170 2.362170\n2.362170 0.000000 2.362170\n2.362170 2.362170 0.000000\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-1009878",
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"structure_string": "Zr1 C1\n1.0\n2.934768 0.000000 0.000000\n0.000000 2.934768 0.000000\n0.000000 0.000000 2.934768\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 C\n",
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},
{
"id": "mp-684623",
"created_at": "2022-09-04T14:43:56.353559Z",
"structure_string": "Zr20 C18\n1.0\n3.350488 8.183167 0.000000\n-3.350488 8.183167 0.000000\n0.000000 5.444626 9.661092\nZr C\n20 18\ndirect\n0.223707 0.478414 0.947436 Zr\n0.721232 0.966915 0.956459 Zr\n0.564510 0.331089 0.648360 Zr\n0.435490 0.668911 0.351640 Zr\n0.278768 0.033085 0.043541 Zr\n0.081618 0.814352 0.645383 Zr\n0.123838 0.372322 0.750292 Zr\n0.918382 0.185648 0.354617 Zr\n0.966915 0.721232 0.456459 Zr\n0.776293 0.521586 0.052564 Zr\n0.627678 0.876162 0.749708 Zr\n0.814352 0.081618 0.145383 Zr\n0.478414 0.223707 0.447436 Zr\n0.668911 0.435490 0.851640 Zr\n0.521586 0.776293 0.552564 Zr\n0.331089 0.564510 0.148360 Zr\n0.372322 0.123838 0.250292 Zr\n0.185648 0.918382 0.854617 Zr\n0.033085 0.278768 0.543541 Zr\n0.876162 0.627678 0.249708 Zr\n0.076041 0.321053 0.150128 C\n0.923959 0.678947 0.849872 C\n0.575239 0.827394 0.147706 C\n0.776721 0.024680 0.549964 C\n0.424761 0.172606 0.852294 C\n0.623356 0.376644 0.250000 C\n0.275308 0.528406 0.551261 C\n0.471594 0.724692 0.948739 C\n0.321053 0.076041 0.650128 C\n0.172606 0.424761 0.352294 C\n0.975320 0.223279 0.950036 C\n0.827394 0.575239 0.647706 C\n0.024680 0.776721 0.049964 C\n0.678947 0.923959 0.349872 C\n0.724692 0.471594 0.448739 C\n0.528406 0.275308 0.051261 C\n0.376644 0.623356 0.750000 C\n0.223279 0.975320 0.450036 C\n",
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{
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"spacegroup": 216
},
{
"id": "mp-1188023",
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"structure_string": "Zr6 C2\n1.0\n2.949629 -5.108907 0.000000\n2.949629 5.108907 0.000000\n0.000000 0.000000 4.639697\nZr C\n6 2\ndirect\n0.175424 0.350849 0.250000 Zr\n0.649151 0.824576 0.250000 Zr\n0.175424 0.824576 0.250000 Zr\n0.824576 0.649151 0.750000 Zr\n0.350849 0.175424 0.750000 Zr\n0.824576 0.175424 0.750000 Zr\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n",
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"updated_at": "2021-11-28T01:34:57.700000Z",
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}
]
}