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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12093",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12091",
"results": [
{
"id": "mp-1194355",
"created_at": "2022-09-04T14:43:22.004218Z",
"structure_string": "Fe6 Sb4 Br8 O8\n1.0\n6.421189 0.000352 -0.000045\n3.210946 6.519506 -0.000264\n-0.000077 -0.000636 14.932912\nFe Sb Br O\n6 4 8 8\ndirect\n0.742205 0.015323 0.750035 Fe\n0.757668 0.984824 0.250029 Fe\n0.000278 0.999966 0.999982 Fe\n0.499701 0.000062 0.499976 Fe\n0.258046 0.984219 0.249987 Fe\n0.242124 0.015523 0.749968 Fe\n0.607905 0.784987 0.056568 Sb\n0.392221 0.215044 0.943454 Sb\n0.892120 0.215062 0.556556 Sb\n0.107797 0.784916 0.443460 Sb\n0.119616 0.761090 0.839341 Br\n0.880617 0.238927 0.160649 Br\n0.380403 0.238944 0.339356 Br\n0.619402 0.761071 0.660642 Br\n0.159903 0.679611 0.115401 Br\n0.840545 0.320409 0.884587 Br\n0.340021 0.320416 0.615426 Br\n0.659439 0.679638 0.384553 Br\n0.306632 0.999832 0.000015 O\n0.806323 0.999878 0.499971 O\n0.693679 0.000133 0.999971 O\n0.193424 0.000121 0.500035 O\n0.540584 0.919108 0.175594 O\n0.459609 0.080914 0.824427 O\n0.959416 0.080920 0.675575 O\n0.040324 0.919062 0.324443 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Fe",
"Sb",
"Br",
"O"
],
"chemical_system": "Br-Fe-O-Sb",
"density": 4.221844412176653,
"density_atomic": 0.04159205953708687,
"volume": 625.1193205957085,
"volume_molar": 14.479063617011244,
"formula_full": "Fe6 Sb4 Br8 O8",
"formula_reduced": "Fe3Sb2(BrO)4",
"formula_anonymous": "A2B3C4D4",
"energy": -157.03871572,
"energy_per_atom": -6.039950604615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.73471572,
"band_gap": 2.3936,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0113037,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.206000Z",
"spacegroup": 64
},
{
"id": "mp-1220755",
"created_at": "2022-09-04T14:43:19.591292Z",
"structure_string": "Nd2 Ga3 Fe14 C2\n1.0\n4.363486 4.873214 0.000000\n-4.363486 4.873214 0.000000\n0.000000 0.937197 6.451990\nNd Ga Fe C\n2 3 14 2\ndirect\n0.348398 0.348398 0.336310 Nd\n0.651602 0.651602 0.663690 Nd\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.092283 0.092283 0.093584 Fe\n0.907717 0.907717 0.906416 Fe\n0.657354 0.657354 0.151659 Fe\n0.654892 0.148522 0.656950 Fe\n0.148522 0.654892 0.656950 Fe\n0.342646 0.342646 0.848341 Fe\n0.345108 0.851478 0.343050 Fe\n0.851478 0.345108 0.343050 Fe\n0.714570 0.285430 0.000000 Fe\n0.286026 0.000712 0.713379 Fe\n0.999288 0.713974 0.286621 Fe\n0.713974 0.999288 0.286621 Fe\n0.000712 0.286026 0.713379 Fe\n0.285430 0.714570 0.000000 Fe\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Nd",
"Ga",
"Fe",
"C"
],
"chemical_system": "C-Fe-Ga-Nd",
"density": 7.8883986042468255,
"density_atomic": 0.0765326133479681,
"volume": 274.39282524588634,
"volume_molar": 7.868724843641949,
"formula_full": "Nd2 Ga3 Fe14 C2",
"formula_reduced": "Nd2Ga3(Fe7C)2",
"formula_anonymous": "A2B2C3D14",
"energy": -157.83344252,
"energy_per_atom": -7.515878215238096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.83344252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0034464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.088000Z",
"spacegroup": 12
},
{
"id": "mp-1221680",
"created_at": "2022-09-04T14:43:19.768813Z",
"structure_string": "Mn2 Co2 B4\n1.0\n2.967945 0.000000 0.000000\n0.000000 4.001218 0.000000\n0.000000 0.000000 5.344404\nMn Co B\n2 2 4\ndirect\n0.500000 0.377539 0.320271 Mn\n0.500000 0.622461 0.820271 Mn\n0.000000 0.131634 0.679997 Co\n0.000000 0.868366 0.179997 Co\n0.000000 0.641682 0.536027 B\n0.000000 0.358318 0.036027 B\n0.500000 0.878108 0.463705 B\n0.500000 0.121892 0.963705 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Co",
"B"
],
"chemical_system": "B-Co-Mn",
"density": 7.090051312469029,
"density_atomic": 0.12604994024518565,
"volume": 63.46690830982406,
"volume_molar": 4.777583193047177,
"formula_full": "Mn2 Co2 B4",
"formula_reduced": "MnCoB2",
"formula_anonymous": "ABC2",
"energy": -62.40402172,
"energy_per_atom": -7.800502715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.40402172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0163955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.699000Z",
"spacegroup": 26
},
{
"id": "mp-25891",
"created_at": "2022-09-04T14:43:22.021651Z",
"structure_string": "Li12 Ni4 P8 O32\n1.0\n10.390088 0.000000 0.000000\n0.000000 8.173350 0.000000\n0.000000 2.197826 7.979897\nLi Ni P O\n12 4 8 32\ndirect\n0.336402 0.609484 0.651305 Li\n0.847575 0.644623 0.581850 Li\n0.645820 0.162829 0.593311 Li\n0.145820 0.837171 0.406689 Li\n0.347575 0.355377 0.418150 Li\n0.836402 0.390516 0.348695 Li\n0.166566 0.605119 0.160755 Li\n0.658158 0.651910 0.088353 Li\n0.923105 0.454263 0.034389 Li\n0.423105 0.545737 0.965611 Li\n0.158158 0.348090 0.911647 Li\n0.666566 0.394881 0.839245 Li\n0.161179 0.096075 0.670816 Ni\n0.661179 0.903925 0.329184 Ni\n0.341002 0.092648 0.167881 Ni\n0.841002 0.907352 0.832119 Ni\n0.404448 0.231991 0.798373 P\n0.087630 0.720985 0.783876 P\n0.587630 0.279015 0.216124 P\n0.101473 0.233857 0.294679 P\n0.601473 0.766143 0.705321 P\n0.908960 0.291078 0.719377 P\n0.408960 0.708922 0.280623 P\n0.904448 0.768009 0.201627 P\n0.054730 0.237232 0.759450 O\n0.341053 0.388676 0.837240 O\n0.462677 0.725943 0.758113 O\n0.856833 0.349600 0.866662 O\n0.939068 0.758135 0.741317 O\n0.676086 0.618871 0.670821 O\n0.545015 0.254716 0.747624 O\n0.154461 0.685509 0.633270 O\n0.614540 0.926792 0.547306 O\n0.831163 0.131322 0.695830 O\n0.328579 0.188321 0.647630 O\n0.897399 0.425780 0.553223 O\n0.397399 0.574220 0.446777 O\n0.828579 0.811679 0.352370 O\n0.331163 0.868678 0.304170 O\n0.114540 0.073208 0.452694 O\n0.654461 0.314491 0.366730 O\n0.045015 0.745284 0.252376 O\n0.554730 0.762768 0.240550 O\n0.176086 0.381129 0.329179 O\n0.841053 0.611324 0.162760 O\n0.439068 0.241865 0.258683 O\n0.962677 0.274057 0.241887 O\n0.356833 0.650400 0.133338 O\n0.884324 0.923383 0.045109 O\n0.643341 0.116088 0.175436 O\n0.170061 0.177272 0.144890 O\n0.596185 0.429114 0.056937 O\n0.096185 0.570886 0.943063 O\n0.670061 0.822728 0.855110 O\n0.143341 0.883912 0.824564 O\n0.384324 0.076617 0.954891 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 2.641103215813076,
"density_atomic": 0.0826364056090973,
"volume": 677.6674225752513,
"volume_molar": 7.287515370026009,
"formula_full": "Li12 Ni4 P8 O32",
"formula_reduced": "Li3Ni(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -381.09195671,
"energy_per_atom": -6.805213512678571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -348.94395671,
"band_gap": 0.3041,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0001485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.846000Z",
"spacegroup": 4
},
{
"id": "mp-1665344",
"created_at": "2022-09-04T14:43:19.840385Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n-0.000054 4.731696 0.000039\n0.000340 0.000062 5.931365\n10.148364 -0.000119 0.000551\nLi Ni P O\n4 4 4 16\ndirect\n0.498227 0.752707 0.247922 Li\n0.501718 0.252837 0.251983 Li\n0.001748 0.247139 0.748018 Li\n0.998260 0.747247 0.752082 Li\n0.019129 0.502031 0.474249 Ni\n0.519182 0.998234 0.525755 Ni\n0.980724 0.001809 0.025845 Ni\n0.480945 0.498155 0.974127 Ni\n0.916604 0.502185 0.155770 P\n0.083472 0.002280 0.344193 P\n0.583452 0.497760 0.655808 P\n0.416554 0.997752 0.844230 P\n0.774853 0.708986 0.084405 O\n0.225064 0.209145 0.415574 O\n0.725084 0.290923 0.584427 O\n0.274866 0.790920 0.915570 O\n0.775229 0.294523 0.084867 O\n0.224773 0.794553 0.415169 O\n0.724742 0.705513 0.584869 O\n0.275236 0.205414 0.915142 O\n0.240904 0.501854 0.150041 O\n0.759047 0.001857 0.349863 O\n0.259022 0.498149 0.650162 O\n0.740877 0.998081 0.849944 O\n0.200798 0.002768 0.201081 O\n0.799302 0.502697 0.298893 O\n0.299324 0.997290 0.701104 O\n0.700862 0.497192 0.798908 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.7454386851249852,
"density_atomic": 0.09830837379481248,
"volume": 284.8180568874134,
"volume_molar": 6.125765819877468,
"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy": -197.78613564,
"energy_per_atom": -7.063790558571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.63013564,
"band_gap": 4.322699999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.885000Z",
"spacegroup": 19
},
{
"id": "mp-1076190",
"created_at": "2022-09-04T14:43:23.692586Z",
"structure_string": "Sr16 Ca16 Mn20 Fe12 O80\n1.0\n-0.000449 -0.008214 11.037602\n11.167389 -0.001170 -0.000316\n-5.585171 15.811689 -5.529971\nSr Ca Mn Fe O\n16 16 20 12 80\ndirect\n0.308011 0.559691 0.611032 Sr\n0.807011 0.057438 0.608677 Sr\n0.810177 0.559319 0.610578 Sr\n0.195128 0.438714 0.386200 Sr\n0.199190 0.443042 0.893499 Sr\n0.696942 0.439723 0.386772 Sr\n0.697859 0.938190 0.387013 Sr\n0.699822 0.940491 0.892474 Sr\n0.060861 0.300030 0.610376 Sr\n0.059125 0.801633 0.610273 Sr\n0.558258 0.300963 0.610328 Sr\n0.556852 0.801104 0.608875 Sr\n0.445887 0.197991 0.387262 Sr\n0.449988 0.199891 0.890746 Sr\n0.948447 0.196971 0.386323 Sr\n0.948157 0.200278 0.891731 Sr\n0.305205 0.062932 0.105912 Ca\n0.306158 0.059842 0.604378 Ca\n0.307275 0.564842 0.108708 Ca\n0.804786 0.062965 0.105348 Ca\n0.806891 0.563082 0.107399 Ca\n0.199541 0.936882 0.392014 Ca\n0.202701 0.937604 0.897160 Ca\n0.702312 0.441449 0.897540 Ca\n0.055433 0.293419 0.106760 Ca\n0.056172 0.792926 0.106391 Ca\n0.554867 0.293001 0.105301 Ca\n0.554971 0.792579 0.105002 Ca\n0.448457 0.704792 0.392662 Ca\n0.450994 0.707012 0.896635 Ca\n0.948654 0.704740 0.390963 Ca\n0.951258 0.707458 0.897592 Ca\n0.005065 0.999437 0.498975 Mn\n0.002358 0.499401 0.497417 Mn\n0.256785 0.251417 0.003689 Mn\n0.252250 0.248256 0.498022 Mn\n0.107072 0.089998 0.244905 Mn\n0.117495 0.095188 0.754600 Mn\n0.109014 0.600806 0.247502 Mn\n0.114019 0.603983 0.755576 Mn\n0.607656 0.092853 0.245306 Mn\n0.609163 0.100231 0.749834 Mn\n0.607662 0.596427 0.246546 Mn\n0.612416 0.597785 0.754633 Mn\n0.358424 0.405894 0.246224 Mn\n0.365997 0.404593 0.754765 Mn\n0.355399 0.897203 0.247183 Mn\n0.360170 0.901531 0.751269 Mn\n0.857451 0.405483 0.244862 Mn\n0.861205 0.408111 0.754959 Mn\n0.859826 0.895620 0.244098 Mn\n0.866360 0.899577 0.751616 Mn\n0.008107 0.001501 0.003645 Fe\n0.006355 0.501991 0.003620 Fe\n0.506036 0.001341 0.003428 Fe\n0.501591 0.999099 0.497901 Fe\n0.506653 0.501664 0.002905 Fe\n0.501333 0.498373 0.496471 Fe\n0.256484 0.752131 0.002805 Fe\n0.251160 0.749379 0.497254 Fe\n0.756982 0.253509 0.004676 Fe\n0.753888 0.249776 0.498659 Fe\n0.756336 0.749921 0.002086 Fe\n0.753041 0.747661 0.496556 Fe\n0.127681 0.117378 0.491371 O\n0.130021 0.122194 0.993200 O\n0.118885 0.622288 0.489394 O\n0.123343 0.625134 0.993198 O\n0.624411 0.122753 0.493399 O\n0.625573 0.124362 0.995949 O\n0.621662 0.622825 0.490562 O\n0.624740 0.620802 0.990091 O\n0.138170 0.379771 0.015498 O\n0.131209 0.376756 0.505580 O\n0.135899 0.880445 0.011846 O\n0.130833 0.879633 0.503560 O\n0.637084 0.383329 0.015210 O\n0.631030 0.377258 0.504723 O\n0.633875 0.878179 0.012934 O\n0.627574 0.873504 0.501338 O\n0.370026 0.119315 0.491921 O\n0.372021 0.119750 0.992886 O\n0.374071 0.622144 0.491015 O\n0.378234 0.623534 0.993538 O\n0.878070 0.120553 0.494818 O\n0.877479 0.120971 0.994606 O\n0.876303 0.620965 0.491664 O\n0.874377 0.618480 0.989804 O\n0.384449 0.382139 0.014549 O\n0.378619 0.375996 0.504684 O\n0.385388 0.884348 0.013244 O\n0.377135 0.881822 0.505446 O\n0.884934 0.384905 0.013327 O\n0.881231 0.378689 0.503549 O\n0.887930 0.881562 0.013822 O\n0.882389 0.876820 0.502281 O\n0.086406 0.094052 0.134136 O\n0.084900 0.080396 0.639923 O\n0.078424 0.596889 0.134377 O\n0.073242 0.585267 0.640344 O\n0.580087 0.095987 0.134963 O\n0.574373 0.081682 0.633884 O\n0.576435 0.596605 0.134555 O\n0.573248 0.580544 0.637823 O\n0.436409 0.413835 0.363262 O\n0.445784 0.413078 0.868976 O\n0.435701 0.912172 0.363070 O\n0.444154 0.911127 0.866580 O\n0.932956 0.413252 0.357650 O\n0.943356 0.412384 0.867530 O\n0.939566 0.909752 0.358381 O\n0.946820 0.908648 0.866987 O\n0.330988 0.288702 0.131806 O\n0.327754 0.298961 0.640653 O\n0.327240 0.789066 0.134781 O\n0.318878 0.800171 0.634861 O\n0.834161 0.290679 0.134397 O\n0.826024 0.308260 0.638225 O\n0.831563 0.785018 0.132548 O\n0.824480 0.802490 0.634292 O\n0.181600 0.191928 0.358770 O\n0.193298 0.206121 0.870894 O\n0.191058 0.702477 0.363749 O\n0.200374 0.710374 0.869550 O\n0.687311 0.190776 0.362223 O\n0.686233 0.207359 0.865851 O\n0.694775 0.693413 0.362471 O\n0.698421 0.704555 0.866920 O\n0.429716 0.059558 0.240757 O\n0.429984 0.064107 0.743761 O\n0.430336 0.577956 0.249019 O\n0.440220 0.576668 0.759587 O\n0.928302 0.061120 0.238857 O\n0.940847 0.063502 0.750740 O\n0.928190 0.575108 0.248101 O\n0.939919 0.575851 0.760789 O\n0.174781 0.432223 0.240170 O\n0.192149 0.440238 0.752848 O\n0.179012 0.921929 0.247397 O\n0.189193 0.930521 0.760276 O\n0.676694 0.426707 0.239072 O\n0.687090 0.432824 0.759295 O\n0.681821 0.925342 0.239773 O\n0.691938 0.940585 0.752211 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.339740556016975,
"density_atomic": 0.07390723993083934,
"volume": 1948.3882788039687,
"volume_molar": 8.148241993119182,
"formula_full": "Sr16 Ca16 Mn20 Fe12 O80",
"formula_reduced": "Sr4Ca4Mn5Fe3O20",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1095.08721686,
"energy_per_atom": -7.604772339305555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -979.69521686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 139.6502319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 1
},
{
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