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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10222",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10220",
"results": [
{
"id": "mp-1181743",
"created_at": "2022-09-04T14:46:22.670408Z",
"structure_string": "Co1 Hg1 S4\n1.0\n-3.592617 3.592617 2.554680\n3.592617 -3.592617 2.554680\n3.592617 3.592617 -2.554680\nCo Hg S\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Co\n0.000000 0.000000 0.000000 Hg\n0.354909 0.201545 0.485509 S\n0.716036 0.869400 0.514491 S\n0.130600 0.645091 0.846637 S\n0.798455 0.283964 0.153363 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Hg",
"S"
],
"chemical_system": "Co-Hg-S",
"density": 4.882246934775927,
"density_atomic": 0.04549177786282317,
"volume": 131.89196557875846,
"volume_molar": 13.237866363805972,
"formula_full": "Co1 Hg1 S4",
"formula_reduced": "CoHgS4",
"formula_anonymous": "ABC4",
"energy": -24.50164709,
"energy_per_atom": -4.083607848333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -22.48964709,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.6448577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.128000Z",
"spacegroup": 82
},
{
"id": "mp-1204961",
"created_at": "2022-09-04T14:40:02.068652Z",
"structure_string": "Co4 Hg4 N24 Cl20\n1.0\n8.539880 0.000000 0.000000\n0.000000 9.325978 0.000000\n0.000000 0.000000 19.252965\nCo Hg N Cl\n4 4 24 20\ndirect\n0.171429 0.750000 0.351552 Co\n0.328571 0.750000 0.851552 Co\n0.828571 0.250000 0.648448 Co\n0.671429 0.250000 0.148448 Co\n0.852136 0.750000 0.178927 Hg\n0.647864 0.750000 0.678927 Hg\n0.147864 0.250000 0.821073 Hg\n0.352136 0.250000 0.321073 Hg\n0.119628 0.750000 0.267047 N\n0.380372 0.750000 0.767047 N\n0.880372 0.250000 0.732953 N\n0.619628 0.250000 0.232953 N\n0.768933 0.582271 0.395675 N\n0.731067 0.917729 0.895675 N\n0.231067 0.082271 0.604325 N\n0.268933 0.417729 0.104325 N\n0.231067 0.417729 0.604325 N\n0.268933 0.082271 0.104325 N\n0.768933 0.917729 0.395675 N\n0.731067 0.582271 0.895675 N\n0.681569 0.562129 0.353832 N\n0.818431 0.937871 0.853832 N\n0.318431 0.062129 0.646168 N\n0.181569 0.437871 0.146168 N\n0.318431 0.437871 0.646168 N\n0.181569 0.062129 0.146168 N\n0.681569 0.937871 0.353832 N\n0.818431 0.562129 0.853832 N\n0.188598 0.750000 0.446195 N\n0.311402 0.750000 0.946195 N\n0.811402 0.250000 0.553805 N\n0.688598 0.250000 0.053805 N\n0.130994 0.750000 0.985712 Cl\n0.369006 0.750000 0.485712 Cl\n0.869006 0.250000 0.014288 Cl\n0.630994 0.250000 0.514288 Cl\n0.767965 0.475936 0.154111 Cl\n0.732035 0.024064 0.654111 Cl\n0.232035 0.975936 0.845889 Cl\n0.267965 0.524064 0.345889 Cl\n0.232035 0.524064 0.845889 Cl\n0.267965 0.975936 0.345889 Cl\n0.767965 0.024064 0.154111 Cl\n0.732035 0.475936 0.654111 Cl\n0.457974 0.750000 0.005600 Cl\n0.042026 0.750000 0.505600 Cl\n0.542026 0.250000 0.994400 Cl\n0.957974 0.250000 0.494400 Cl\n0.255219 0.750000 0.204018 Cl\n0.244781 0.750000 0.704018 Cl\n0.744781 0.250000 0.795982 Cl\n0.755219 0.250000 0.295982 Cl\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Co",
"Hg",
"N",
"Cl"
],
"chemical_system": "Cl-Co-Hg-N",
"density": 2.256108419052477,
"density_atomic": 0.033912481319812476,
"volume": 1533.3587510041727,
"volume_molar": 17.75788891177869,
"formula_full": "Co4 Hg4 N24 Cl20",
"formula_reduced": "CoHgN6Cl5",
"formula_anonymous": "ABC5D6",
"energy": -266.58203685,
"energy_per_atom": -5.126577631730769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.30203685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1964559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.230000Z",
"spacegroup": 62
},
{
"id": "mp-1194564",
"created_at": "2022-09-04T14:41:33.819630Z",
"structure_string": "Co2 Hg2 N12 Cl10\n1.0\n9.242370 0.000000 0.000000\n0.000000 6.634952 0.000000\n0.000000 3.153840 11.603795\nCo Hg N Cl\n2 2 12 10\ndirect\n0.250000 0.744592 0.239109 Co\n0.750000 0.255408 0.760891 Co\n0.250000 0.765122 0.774620 Hg\n0.750000 0.234878 0.225380 Hg\n0.379686 0.855761 0.129968 N\n0.879686 0.144239 0.870032 N\n0.620314 0.144239 0.870032 N\n0.120314 0.855761 0.129968 N\n0.379304 0.801909 0.392589 N\n0.879304 0.198091 0.607411 N\n0.620696 0.198091 0.607411 N\n0.120696 0.801909 0.392589 N\n0.250000 0.456043 0.231504 N\n0.750000 0.543957 0.768496 N\n0.250000 0.804593 0.400495 N\n0.750000 0.195407 0.599505 N\n0.250000 0.078213 0.640089 Cl\n0.750000 0.921787 0.359911 Cl\n0.250000 0.460489 0.918514 Cl\n0.750000 0.539511 0.081486 Cl\n0.250000 0.935241 0.027685 Cl\n0.750000 0.064759 0.972315 Cl\n0.596697 0.642069 0.685324 Cl\n0.096697 0.357931 0.314676 Cl\n0.403303 0.357931 0.314676 Cl\n0.903303 0.642069 0.685324 Cl\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Co",
"Hg",
"N",
"Cl"
],
"chemical_system": "Cl-Co-Hg-N",
"density": 2.4308186678841257,
"density_atomic": 0.036538621978589605,
"volume": 711.5758228439792,
"volume_molar": 16.48157602530487,
"formula_full": "Co2 Hg2 N12 Cl10",
"formula_reduced": "CoHgN6Cl5",
"formula_anonymous": "ABC5D6",
"energy": -120.4873179,
"energy_per_atom": -4.634127611538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.34731789999998,
"band_gap": 0.6348000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9988398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.182000Z",
"spacegroup": 11
},
{
"id": "mp-1197380",
"created_at": "2022-09-04T14:43:22.353129Z",
"structure_string": "Co4 Hg4 H72 Br16 N24 Cl4\n1.0\n8.070594 0.000000 0.000000\n0.000000 12.294108 0.000000\n0.000000 6.958818 16.240615\nCo Hg H Br N Cl\n4 4 72 16 24 4\ndirect\n0.244773 0.738884 0.506604 Co\n0.744773 0.261116 0.993396 Co\n0.755227 0.261116 0.493396 Co\n0.255227 0.738884 0.006604 Co\n0.752005 0.790932 0.252565 Hg\n0.252005 0.209068 0.247435 Hg\n0.247995 0.209068 0.747435 Hg\n0.747995 0.790932 0.752565 Hg\n0.174117 0.812587 0.620252 H\n0.674117 0.187413 0.879748 H\n0.825883 0.187413 0.379748 H\n0.325883 0.812587 0.120252 H\n0.274161 0.917951 0.544251 H\n0.774161 0.082049 0.955749 H\n0.725839 0.082049 0.455749 H\n0.225839 0.917951 0.044251 H\n0.375740 0.805278 0.613816 H\n0.875740 0.194722 0.886184 H\n0.624260 0.194722 0.386184 H\n0.124260 0.805278 0.113816 H\n0.382996 0.536277 0.575420 H\n0.882996 0.463723 0.924580 H\n0.617004 0.463723 0.424580 H\n0.117004 0.536277 0.075420 H\n0.418675 0.611991 0.633097 H\n0.918675 0.388009 0.866903 H\n0.581325 0.388009 0.366903 H\n0.081325 0.611991 0.133097 H\n0.528834 0.637972 0.548771 H\n0.028834 0.362028 0.951229 H\n0.471166 0.362028 0.451229 H\n0.971166 0.637972 0.048771 H\n0.965111 0.847844 0.469894 H\n0.465111 0.152156 0.030106 H\n0.034889 0.152156 0.530106 H\n0.534889 0.847844 0.969894 H\n0.052179 0.852788 0.384234 H\n0.552179 0.147212 0.115766 H\n0.947821 0.147212 0.615766 H\n0.447821 0.852788 0.884234 H\n0.116926 0.941923 0.427055 H\n0.616926 0.058077 0.072945 H\n0.883074 0.058077 0.572945 H\n0.383074 0.941923 0.927055 H\n0.405791 0.926325 0.421359 H\n0.905791 0.073675 0.078641 H\n0.594209 0.073675 0.578641 H\n0.094209 0.926325 0.921359 H\n0.428410 0.832303 0.377335 H\n0.928410 0.167697 0.122665 H\n0.571590 0.167697 0.622665 H\n0.071590 0.832303 0.877335 H\n0.539655 0.816646 0.458693 H\n0.039655 0.183354 0.041307 H\n0.460345 0.183354 0.541307 H\n0.960345 0.816646 0.958693 H\n0.052943 0.651673 0.633036 H\n0.552943 0.348327 0.866964 H\n0.947057 0.348327 0.366964 H\n0.447057 0.651673 0.133036 H\n0.091127 0.550062 0.596887 H\n0.591127 0.449938 0.903113 H\n0.908873 0.449938 0.403113 H\n0.408873 0.550062 0.096887 H\n0.954175 0.653325 0.549688 H\n0.454175 0.346675 0.950312 H\n0.045825 0.346675 0.450312 H\n0.545825 0.653325 0.049688 H\n0.263094 0.696825 0.375257 H\n0.763094 0.303175 0.124743 H\n0.736906 0.303175 0.624743 H\n0.236906 0.696825 0.875257 H\n0.091115 0.641124 0.425717 H\n0.591115 0.358876 0.074283 H\n0.908885 0.358876 0.574283 H\n0.408885 0.641124 0.925717 H\n0.266400 0.570452 0.456968 H\n0.766400 0.429548 0.043032 H\n0.733600 0.429548 0.543032 H\n0.233600 0.570452 0.956968 H\n0.759084 0.882874 0.064703 Br\n0.259084 0.117126 0.435297 Br\n0.240916 0.117126 0.935297 Br\n0.740916 0.882874 0.564703 Br\n0.755802 0.988100 0.273596 Br\n0.255802 0.011900 0.226404 Br\n0.244198 0.011900 0.726404 Br\n0.744198 0.988100 0.773596 Br\n0.463775 0.680450 0.264534 Br\n0.963775 0.319550 0.235466 Br\n0.536225 0.319550 0.735466 Br\n0.036225 0.680450 0.764534 Br\n0.002417 0.649420 0.261512 Br\n0.502417 0.350580 0.238488 Br\n0.997583 0.350580 0.738488 Br\n0.497583 0.649420 0.761512 Br\n0.269668 0.827648 0.578657 N\n0.769668 0.172352 0.921343 N\n0.730332 0.172352 0.421343 N\n0.230332 0.827648 0.078657 N\n0.410441 0.619713 0.572917 N\n0.910441 0.380287 0.927083 N\n0.589559 0.380287 0.427083 N\n0.089559 0.619713 0.072917 N\n0.077449 0.856355 0.440117 N\n0.577449 0.143645 0.059883 N\n0.922551 0.143645 0.559883 N\n0.422551 0.856355 0.940117 N\n0.422813 0.837837 0.433757 N\n0.922813 0.162163 0.066243 N\n0.577187 0.162163 0.566243 N\n0.077187 0.837837 0.933757 N\n0.068243 0.639195 0.578928 N\n0.568243 0.360805 0.921072 N\n0.931757 0.360805 0.421072 N\n0.431757 0.639195 0.078928 N\n0.215013 0.654271 0.433577 N\n0.715013 0.345729 0.066423 N\n0.784987 0.345729 0.566423 N\n0.284987 0.654271 0.933577 N\n0.754107 0.631390 0.457705 Cl\n0.254107 0.368610 0.042295 Cl\n0.245893 0.368610 0.542295 Cl\n0.745893 0.631390 0.957705 Cl\n",
"nsites": 124,
"nelements": 6,
"elements": [
"Co",
"Hg",
"H",
"Br",
"N",
"Cl"
],
"chemical_system": "Br-Cl-Co-H-Hg-N",
"density": 2.9545213580333214,
"density_atomic": 0.07695142913539148,
"volume": 1611.4060699487381,
"volume_molar": 7.8258985280239575,
"formula_full": "Co4 Hg4 H72 Br16 N24 Cl4",
"formula_reduced": "CoHgH18Br4N6Cl",
"formula_anonymous": "ABCD4E6F18",
"energy": -587.45718864,
"energy_per_atom": -4.737557972903226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -567.79318864,
"band_gap": 2.2194,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0996007,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.712000Z",
"spacegroup": 14
},
{
"id": "mp-540934",
"created_at": "2022-09-04T14:44:08.289334Z",
"structure_string": "Co1 Hg1 C4 S4 N4\n1.0\n-5.599492 5.599492 2.372802\n5.599492 -5.599492 2.372802\n5.599492 5.599492 -2.372802\nCo Hg C S N\n1 1 4 4 4\ndirect\n0.750000 0.250000 0.500000 Co\n0.000000 0.000000 0.000000 Hg\n0.176725 0.381155 0.355093 C\n0.026062 0.821632 0.644907 C\n0.618845 0.973938 0.795569 C\n0.178368 0.823275 0.204431 C\n0.553276 0.834476 0.954514 S\n0.165524 0.120038 0.718800 S\n0.879962 0.598762 0.045486 S\n0.401238 0.446724 0.281200 S\n0.660312 0.072860 0.681110 N\n0.927140 0.608249 0.587451 N\n0.391751 0.979202 0.318890 N\n0.020798 0.339688 0.412549 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Co",
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Co-Hg-N-S",
"density": 2.744514268805581,
"density_atomic": 0.04704454663188872,
"volume": 297.5902841523023,
"volume_molar": 12.800932714096868,
"formula_full": "Co1 Hg1 C4 S4 N4",
"formula_reduced": "CoHgC4(SN)4",
"formula_anonymous": "ABC4D4E4",
"energy": -94.64048953,
"energy_per_atom": -6.760034966428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.18448953,
"band_gap": 0.7991999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0005429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.472000Z",
"spacegroup": 82
},
{
"id": "mp-12422",
"created_at": "2022-09-04T14:40:10.453950Z",
"structure_string": "Co1 Hg1 C4 Se4 N4\n1.0\n-5.688927 5.688927 2.630154\n5.688927 -5.688927 2.630154\n5.688927 5.688927 -2.630154\nCo Hg C Se N\n1 1 4 4 4\ndirect\n0.250000 0.750000 0.500000 Co\n0.000000 0.000000 0.000000 Hg\n0.805734 0.032887 0.651277 C\n0.967113 0.618390 0.772847 C\n0.845543 0.194266 0.227153 C\n0.381610 0.154457 0.348723 C\n0.131938 0.198074 0.730442 Se\n0.801926 0.532368 0.933864 Se\n0.598504 0.868062 0.066136 Se\n0.467632 0.401496 0.269558 Se\n0.594097 0.925571 0.594773 N\n0.074429 0.669202 0.668526 N\n0.330798 0.999324 0.405227 N\n0.000676 0.405903 0.331474 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Co",
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Co-Hg-N-Se",
"density": 3.3135514013211065,
"density_atomic": 0.04111744730485906,
"volume": 340.4880632836744,
"volume_molar": 14.646193172814824,
"formula_full": "Co1 Hg1 C4 Se4 N4",
"formula_reduced": "CoHgC4(SeN)4",
"formula_anonymous": "ABC4D4E4",
"energy": -90.73192724,
"energy_per_atom": -6.480851945714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -87.39992724,
"band_gap": 0.7723,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9914654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.810000Z",
"spacegroup": 82
},
{
"id": "mp-985285",
"created_at": "2022-09-04T14:39:34.794591Z",
"structure_string": "Co1 Hg3\n1.0\n4.288468 0.000000 0.000000\n0.000000 4.288468 0.000000\n0.000000 0.000000 4.288468\nCo Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Hg"
],
"chemical_system": "Co-Hg",
"density": 13.910699949681536,
"density_atomic": 0.05071698991621011,
"volume": 78.86903395900323,
"volume_molar": 11.874010602658437,
"formula_full": "Co1 Hg3",
"formula_reduced": "CoHg3",
"formula_anonymous": "AB3",
"energy": -6.12265325,
"energy_per_atom": -1.5306633125,
"energy_above_hull": null,
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"energy_uncorrected": -6.12265325,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3630088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.212000Z",
"spacegroup": 221
},
{
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