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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=10136",
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"results": [
{
"id": "mp-1236143",
"created_at": "2022-09-04T14:48:12.496030Z",
"structure_string": "Li1 Nb2 P2 O10\n1.0\n4.147202 -0.056400 -0.056400\n-0.086920 6.647371 0.107463\n-0.086920 0.107463 6.647371\nLi Nb P O\n1 2 2 10\ndirect\n0.000000 0.000000 0.000000 Li\n0.242607 0.737656 0.737656 Nb\n0.757393 0.262344 0.262344 Nb\n0.500000 0.753144 0.246856 P\n0.500000 0.246856 0.753144 P\n0.704574 0.563548 0.248624 O\n0.718261 0.945176 0.241727 O\n0.193974 0.246857 0.246857 O\n0.806026 0.753143 0.753143 O\n0.718261 0.241727 0.945176 O\n0.704574 0.248624 0.563548 O\n0.295426 0.751376 0.436452 O\n0.281739 0.054824 0.758273 O\n0.295426 0.436452 0.751376 O\n0.281739 0.758273 0.054824 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Nb",
"P",
"O"
],
"chemical_system": "Li-Nb-O-P",
"density": 3.760007502735877,
"density_atomic": 0.08190337093858743,
"volume": 183.14264514518285,
"volume_molar": 7.352738588153478,
"formula_full": "Li1 Nb2 P2 O10",
"formula_reduced": "LiNb2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -124.23377293,
"energy_per_atom": -8.282251528666666,
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"formation_energy": null,
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"energy_uncorrected": -117.36377293,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0010734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.665000Z",
"spacegroup": 12
},
{
"id": "mp-1198672",
"created_at": "2022-09-04T14:48:13.106882Z",
"structure_string": "Os4 Se4 S12 Cl16\n1.0\n9.315965 0.000000 0.000000\n0.000000 9.568412 0.000000\n0.000000 3.237609 11.429188\nOs Se S Cl\n4 4 12 16\ndirect\n0.802178 0.047683 0.774869 Os\n0.302178 0.952317 0.225131 Os\n0.670708 0.310666 0.709272 Os\n0.170708 0.689334 0.290728 Os\n0.797222 0.504100 0.785907 Se\n0.297222 0.495900 0.214093 Se\n0.393040 0.013088 0.866635 Se\n0.893040 0.986912 0.133365 Se\n0.978832 0.151415 0.219199 S\n0.478832 0.848585 0.780801 S\n0.320937 0.166294 0.695481 S\n0.820937 0.833706 0.304519 S\n0.505616 0.224400 0.604434 S\n0.005616 0.775600 0.395566 S\n0.862474 0.239719 0.620077 S\n0.362474 0.760281 0.379923 S\n0.641379 0.952806 0.675935 S\n0.141379 0.047194 0.324065 S\n0.640239 0.137201 0.876872 S\n0.140239 0.862799 0.123128 S\n0.483502 0.077979 0.306450 Cl\n0.983502 0.922021 0.693550 Cl\n0.001998 0.122746 0.877993 Cl\n0.501998 0.877254 0.122007 Cl\n0.810450 0.205449 0.459051 Cl\n0.310450 0.794551 0.540949 Cl\n0.812502 0.420462 0.978442 Cl\n0.312502 0.579538 0.021558 Cl\n0.497558 0.450048 0.785712 Cl\n0.997558 0.549952 0.214288 Cl\n0.026310 0.512143 0.741182 Cl\n0.526310 0.487857 0.258818 Cl\n0.695773 0.542042 0.557522 Cl\n0.195773 0.457958 0.442478 Cl\n0.802281 0.830145 0.934429 Cl\n0.302281 0.169855 0.065571 Cl\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Os",
"Se",
"S",
"Cl"
],
"chemical_system": "Cl-Os-S-Se",
"density": 3.3067599809761568,
"density_atomic": 0.035336164576426125,
"volume": 1018.7862896704058,
"volume_molar": 17.04242900209255,
"formula_full": "Os4 Se4 S12 Cl16",
"formula_reduced": "OsSeS3Cl4",
"formula_anonymous": "ABC3D4",
"energy": -165.05357056999998,
"energy_per_atom": -4.584821404722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.19357057,
"band_gap": 1.4276,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.83e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.170000Z",
"spacegroup": 4
},
{
"id": "mp-780896",
"created_at": "2022-09-04T14:48:13.016915Z",
"structure_string": "Mn3 Cr3 P6 O24\n1.0\n7.215472 -4.302323 0.000000\n7.215472 4.302323 0.000000\n4.650153 0.000000 6.996363\nMn Cr P O\n3 3 6 24\ndirect\n0.644736 0.644736 0.644736 Mn\n0.855191 0.855191 0.855191 Mn\n0.354841 0.354841 0.354841 Mn\n0.999555 0.999555 0.999555 Cr\n0.142301 0.142301 0.142301 Cr\n0.499812 0.499812 0.499812 Cr\n0.953109 0.249375 0.546676 P\n0.546676 0.953109 0.249375 P\n0.249375 0.546676 0.953109 P\n0.749736 0.451811 0.048853 P\n0.451811 0.048853 0.749736 P\n0.048853 0.749736 0.451811 P\n0.512415 0.105974 0.319802 O\n0.319802 0.512415 0.105974 O\n0.105974 0.319802 0.512415 O\n0.936931 0.095128 0.750486 O\n0.996411 0.177323 0.391408 O\n0.749419 0.404916 0.560284 O\n0.750486 0.936931 0.095128 O\n0.560284 0.749419 0.404916 O\n0.822022 0.605221 0.010310 O\n0.404916 0.560284 0.749419 O\n0.906537 0.247450 0.065217 O\n0.605221 0.010310 0.822022 O\n0.391408 0.996411 0.177323 O\n0.095128 0.750486 0.936931 O\n0.596881 0.435353 0.252527 O\n0.177323 0.391408 0.996411 O\n0.435353 0.252527 0.596881 O\n0.247450 0.065217 0.906537 O\n0.252527 0.596881 0.435353 O\n0.010310 0.822022 0.605221 O\n0.065217 0.906537 0.247450 O\n0.896320 0.677280 0.488383 O\n0.677280 0.488383 0.896320 O\n0.488383 0.896320 0.677280 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Mn-O-P",
"density": 3.4046825533137817,
"density_atomic": 0.0828766929076877,
"volume": 434.3802670806211,
"volume_molar": 7.266386421460819,
"formula_full": "Mn3 Cr3 P6 O24",
"formula_reduced": "MnCr(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -295.37843344,
"energy_per_atom": -8.204956484444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.88943344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.9998753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.634000Z",
"spacegroup": 146
},
{
"id": "mp-1189674",
"created_at": "2022-09-04T14:48:12.919109Z",
"structure_string": "K4 Pt2 Br8 O4\n1.0\n0.000000 0.000000 4.524762\n9.034257 0.000000 0.000000\n0.000000 12.343972 0.000000\nK Pt Br O\n4 2 8 4\ndirect\n0.500000 0.825524 0.320266 K\n0.500000 0.174476 0.679734 K\n0.500000 0.325524 0.179734 K\n0.500000 0.674476 0.820266 K\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.767311 0.530310 Br\n0.000000 0.232689 0.469690 Br\n0.000000 0.267311 0.969690 Br\n0.000000 0.732689 0.030310 Br\n0.000000 0.542959 0.304527 Br\n0.000000 0.457041 0.695473 Br\n0.000000 0.042959 0.195473 Br\n0.000000 0.957041 0.804527 Br\n0.500000 0.636737 0.143587 O\n0.500000 0.363263 0.856413 O\n0.500000 0.136737 0.356413 O\n0.500000 0.863263 0.643587 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Pt",
"Br",
"O"
],
"chemical_system": "Br-K-O-Pt",
"density": 4.112854175608794,
"density_atomic": 0.03567215905491758,
"volume": 504.5951934753614,
"volume_molar": 16.881907121822554,
"formula_full": "K4 Pt2 Br8 O4",
"formula_reduced": "K2Pt(Br2O)2",
"formula_anonymous": "AB2C2D4",
"energy": -63.67893879,
"energy_per_atom": -3.5377188216666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.65893878999999,
"band_gap": 0.1624,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9980891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.269000Z",
"spacegroup": 55
},
{
"id": "mp-1147723",
"created_at": "2022-09-04T14:48:18.335829Z",
"structure_string": "Li12 Zn3 P6 S24\n1.0\n6.408722 0.000000 0.000000\n0.027257 7.912738 0.000000\n0.075558 0.082910 18.473647\nLi Zn P S\n12 3 6 24\ndirect\n0.307401 0.755109 0.668166 Li\n0.312014 0.745031 0.997903 Li\n0.696432 0.736411 0.830089 Li\n0.671280 0.744781 0.171101 Li\n0.311499 0.237507 0.999507 Li\n0.694403 0.253818 0.828510 Li\n0.688761 0.264443 0.504036 Li\n0.679729 0.252128 0.168383 Li\n0.150351 0.995473 0.838943 Li\n0.147662 0.975695 0.173803 Li\n0.868939 0.528954 0.337240 Li\n0.852866 0.496008 0.007364 Li\n0.697775 0.758420 0.498813 Zn\n0.301645 0.252445 0.664064 Zn\n0.305633 0.247897 0.337412 Zn\n0.801597 0.001283 0.663128 P\n0.826646 0.011085 0.335501 P\n0.816630 0.994358 0.001124 P\n0.182528 0.490273 0.832138 P\n0.195458 0.506071 0.499078 P\n0.176099 0.499018 0.171257 P\n0.678384 0.784647 0.699657 S\n0.670579 0.798295 0.372064 S\n0.669552 0.780758 0.039239 S\n0.330753 0.706328 0.866183 S\n0.341078 0.719362 0.537003 S\n0.318603 0.700112 0.215273 S\n0.662913 0.224677 0.696305 S\n0.671605 0.230739 0.370625 S\n0.672212 0.210422 0.037873 S\n0.333053 0.276315 0.867930 S\n0.312828 0.278423 0.535521 S\n0.314464 0.272143 0.207762 S\n0.801437 0.994215 0.889466 S\n0.825688 0.005370 0.551729 S\n0.799712 0.000990 0.224543 S\n0.167799 0.496115 0.719937 S\n0.228741 0.516046 0.387183 S\n0.200262 0.491113 0.059804 S\n0.110317 0.011595 0.703830 S\n0.124484 0.005267 0.372654 S\n0.120471 0.990988 0.036731 S\n0.884186 0.492404 0.873037 S\n0.890156 0.516582 0.535879 S\n0.869264 0.497105 0.204058 S\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Li",
"Zn",
"P",
"S"
],
"chemical_system": "Li-P-S-Zn",
"density": 2.188958937985946,
"density_atomic": 0.0480354268289933,
"volume": 936.8085800548946,
"volume_molar": 12.536873631702898,
"formula_full": "Li12 Zn3 P6 S24",
"formula_reduced": "Li4Zn(PS4)2",
"formula_anonymous": "AB2C4D8",
"energy": -206.43275383,
"energy_per_atom": -4.587394529555556,
"energy_above_hull": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.36075383,
"band_gap": 2.7102000000000004,
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"total_magnetization": 0.0127168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.031000Z",
"spacegroup": 1
},
{
"id": "mp-753645",
"created_at": "2022-09-04T14:48:13.033434Z",
"structure_string": "Li4 Mn3 Fe2 O10\n1.0\n5.148286 0.000000 0.000000\n0.753635 5.166078 0.000000\n2.501068 2.173130 7.124302\nLi Mn Fe O\n4 3 2 10\ndirect\n0.508478 0.774390 0.433715 Li\n0.972375 0.497281 0.512459 Li\n0.499264 0.397818 0.220854 Li\n0.489757 0.205001 0.593778 Li\n0.504133 0.002702 0.995256 Mn\n0.996372 0.309672 0.896149 Mn\n0.010212 0.696885 0.101476 Mn\n0.008388 0.887867 0.683962 Fe\n0.997587 0.112423 0.310063 Fe\n0.228630 0.975001 0.863303 O\n0.790256 0.645017 0.951479 O\n0.772917 0.877208 0.533544 O\n0.253332 0.776540 0.221106 O\n0.205027 0.537286 0.667322 O\n0.779427 0.460662 0.332640 O\n0.768384 0.205996 0.771552 O\n0.242668 0.130351 0.454412 O\n0.218327 0.329311 0.051135 O\n0.751191 0.073985 0.127752 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.068613320557882,
"density_atomic": 0.10027384213331958,
"volume": 189.48112085640895,
"volume_molar": 6.005694637683508,
"formula_full": "Li4 Mn3 Fe2 O10",
"formula_reduced": "Li4Mn3(FeO5)2",
"formula_anonymous": "A2B3C4D10",
"energy": -139.18326486,
"energy_per_atom": -7.325434992631579,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 21.0009471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.507000Z",
"spacegroup": 1
},
{
"id": "mp-1213914",
"created_at": "2022-09-04T14:48:17.481334Z",
"structure_string": "Cd4 H8 Br8 O24\n1.0\n6.206074 0.000000 0.000000\n0.000000 9.336234 0.000000\n0.000000 0.000000 12.619446\nCd H Br O\n4 8 8 24\ndirect\n0.439046 0.431007 0.220402 Cd\n0.060954 0.568993 0.720402 Cd\n0.560954 0.931007 0.279598 Cd\n0.939046 0.068993 0.779598 Cd\n0.272150 0.511484 0.365696 H\n0.227850 0.488516 0.865696 H\n0.727850 0.011484 0.134304 H\n0.772150 0.988516 0.634304 H\n0.702610 0.482087 0.101887 H\n0.797390 0.517913 0.601887 H\n0.297390 0.982087 0.398113 H\n0.202610 0.017913 0.898113 H\n0.278926 0.282514 0.611323 Br\n0.221074 0.717486 0.111323 Br\n0.721074 0.782514 0.888677 Br\n0.778926 0.217486 0.388677 Br\n0.186262 0.161173 0.119505 Br\n0.313738 0.838827 0.619505 Br\n0.813738 0.661173 0.380495 Br\n0.686262 0.338827 0.880495 Br\n0.568873 0.223435 0.297574 O\n0.931127 0.776565 0.797574 O\n0.431127 0.723435 0.202426 O\n0.068873 0.276565 0.702426 O\n0.267963 0.002696 0.173972 O\n0.232037 0.997304 0.673972 O\n0.732037 0.502696 0.326028 O\n0.767963 0.497304 0.826028 O\n0.410119 0.245779 0.076331 O\n0.089881 0.754221 0.576331 O\n0.589881 0.745779 0.423669 O\n0.910119 0.254221 0.923669 O\n0.106621 0.266522 0.219349 O\n0.393379 0.733478 0.719349 O\n0.893379 0.766522 0.280651 O\n0.606621 0.233478 0.780651 O\n0.178555 0.537182 0.120785 O\n0.321445 0.462818 0.620785 O\n0.821445 0.037182 0.379215 O\n0.678555 0.962818 0.879215 O\n0.174050 0.254921 0.492558 O\n0.325950 0.745079 0.992558 O\n0.825950 0.754921 0.007442 O\n0.674050 0.245079 0.507442 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Cd",
"H",
"Br",
"O"
],
"chemical_system": "Br-Cd-H-O",
"density": 3.363204146867879,
"density_atomic": 0.0601760544448288,
"volume": 731.1878521437545,
"volume_molar": 10.007536744572176,
"formula_full": "Cd4 H8 Br8 O24",
"formula_reduced": "CdH2(BrO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -164.46792004,
"energy_per_atom": -3.7379072736363637,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -147.97992004,
"band_gap": 1.9558,
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"total_magnetization": 8.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.224000Z",
"spacegroup": 19
},
{
"id": "mp-1233261",
"created_at": "2022-09-04T14:48:10.090816Z",
"structure_string": "Ca1 Mn8 O13 F3\n1.0\n4.713526 0.250951 -5.243931\n0.012489 5.771652 -0.271526\n4.620652 -0.228831 5.156769\nCa Mn O F\n1 8 13 3\ndirect\n0.866129 0.967692 0.699694 Ca\n0.354844 0.332985 0.116512 Mn\n0.124243 0.686963 0.382316 Mn\n0.872858 0.147601 0.141115 Mn\n0.368670 0.139975 0.623668 Mn\n0.254054 0.788777 0.948581 Mn\n0.593318 0.882780 0.334278 Mn\n0.616556 0.597632 0.867840 Mn\n0.937161 0.437755 0.671120 Mn\n0.145592 0.084261 0.070087 O\n0.151834 0.584409 0.108695 O\n0.520826 0.640864 0.125595 O\n0.102838 0.688568 0.662573 O\n0.332761 0.894771 0.415317 O\n0.112439 0.182578 0.670349 O\n0.584866 0.126434 0.157258 O\n0.439195 0.909821 0.815605 O\n0.610720 0.115612 0.538899 O\n0.878327 0.910752 0.339042 O\n0.413304 0.399474 0.829650 O\n0.703644 0.623425 0.623654 O\n0.807762 0.334683 0.898047 O\n0.318890 0.381817 0.417873 F\n0.930802 0.426367 0.355306 F\n0.818370 0.809242 0.966926 F\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"O",
"F"
],
"chemical_system": "Ca-F-Mn-O",
"density": 4.423101524070992,
"density_atomic": 0.08943601080272445,
"volume": 279.5294621888305,
"volume_molar": 6.73346307147294,
"formula_full": "Ca1 Mn8 O13 F3",
"formula_reduced": "CaMn8O13F3",
"formula_anonymous": "AB3C8D13",
"energy": -196.03756604,
"energy_per_atom": -7.8415026416,
"energy_above_hull": null,
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"energy_uncorrected": -172.37656604,
"band_gap": 0.0045999999999999,
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"updated_at": "2021-11-28T01:38:24.668000Z",
"spacegroup": 1
},
{
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}