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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10209",
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"results": [
{
"id": "mp-1223337",
"created_at": "2022-09-04T14:44:57.278494Z",
"structure_string": "La6 Mn1 Sb15\n1.0\n10.003580 8.052540 0.000000\n-10.003580 8.052540 0.000000\n0.000000 1.157040 4.169167\nLa Mn Sb\n6 1 15\ndirect\n0.003746 0.270170 0.948887 La\n0.995669 0.725547 0.220207 La\n0.725547 0.995669 0.220207 La\n0.270170 0.003746 0.948887 La\n0.679590 0.323428 0.085296 La\n0.323428 0.679590 0.085296 La\n0.283542 0.283542 0.803765 Mn\n0.396873 0.396873 0.193118 Sb\n0.590024 0.590024 0.996840 Sb\n0.911555 0.512853 0.873734 Sb\n0.075777 0.485963 0.307414 Sb\n0.485963 0.075777 0.307414 Sb\n0.512853 0.911555 0.873734 Sb\n0.238240 0.475778 0.729178 Sb\n0.749581 0.542689 0.444683 Sb\n0.542689 0.749581 0.444683 Sb\n0.475778 0.238240 0.729178 Sb\n0.170420 0.170420 0.415232 Sb\n0.855958 0.855958 0.718867 Sb\n0.800884 0.198320 0.584575 Sb\n0.198320 0.800884 0.584575 Sb\n0.990592 0.990592 0.084430 Sb\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"Mn",
"Sb"
],
"chemical_system": "La-Mn-Sb",
"density": 6.711423581394203,
"density_atomic": 0.03275329925364965,
"volume": 671.6880589532847,
"volume_molar": 18.38636380830845,
"formula_full": "La6 Mn1 Sb15",
"formula_reduced": "La6MnSb15",
"formula_anonymous": "AB6C15",
"energy": -119.30047556,
"energy_per_atom": -5.422748889090909,
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"energy_uncorrected": -116.42047556,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.2762183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.100000Z",
"spacegroup": 8
},
{
"id": "mp-1204853",
"created_at": "2022-09-04T14:44:57.403510Z",
"structure_string": "Mg10 Si16 O60\n1.0\n5.281475 0.000000 0.000000\n0.000000 13.423375 0.000000\n0.000000 0.000000 18.470890\nMg Si O\n10 16 60\ndirect\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.601602 Mg\n0.500000 0.000000 0.898398 Mg\n0.500000 0.500000 0.398398 Mg\n0.500000 0.000000 0.101602 Mg\n0.000000 0.500000 0.666601 Mg\n0.000000 0.000000 0.833399 Mg\n0.000000 0.500000 0.333399 Mg\n0.000000 0.000000 0.166601 Mg\n0.825411 0.290663 0.584416 Si\n0.174589 0.709337 0.584416 Si\n0.825411 0.209337 0.915584 Si\n0.174589 0.790663 0.915584 Si\n0.174589 0.709337 0.415584 Si\n0.825411 0.290663 0.415584 Si\n0.174589 0.790663 0.084416 Si\n0.825411 0.209337 0.084416 Si\n0.316623 0.289269 0.667106 Si\n0.683377 0.710731 0.667106 Si\n0.316623 0.210731 0.832894 Si\n0.683377 0.789269 0.832894 Si\n0.683377 0.710731 0.332894 Si\n0.316623 0.289269 0.332894 Si\n0.683377 0.789269 0.167106 Si\n0.316623 0.210731 0.167106 Si\n0.409284 0.454667 0.500000 O\n0.590716 0.545333 0.500000 O\n0.409284 0.045333 0.000000 O\n0.590716 0.954667 0.000000 O\n0.840154 0.413285 0.588799 O\n0.159846 0.586715 0.588799 O\n0.840154 0.086715 0.911201 O\n0.159846 0.913285 0.911201 O\n0.159846 0.586715 0.411201 O\n0.840154 0.413285 0.411201 O\n0.159846 0.913285 0.088799 O\n0.840154 0.086715 0.088799 O\n0.298637 0.410339 0.665904 O\n0.701363 0.589661 0.665904 O\n0.298637 0.089661 0.834096 O\n0.701363 0.910339 0.834096 O\n0.701363 0.589661 0.334096 O\n0.298637 0.410339 0.334096 O\n0.701363 0.910339 0.165904 O\n0.298637 0.089661 0.165904 O\n0.685632 0.460597 0.778487 O\n0.314368 0.539403 0.778487 O\n0.685632 0.039403 0.721513 O\n0.314368 0.960597 0.721513 O\n0.314368 0.539403 0.221513 O\n0.685632 0.460597 0.221513 O\n0.314368 0.960597 0.278487 O\n0.685632 0.039403 0.278487 O\n0.830922 0.254702 0.500000 O\n0.169078 0.745298 0.500000 O\n0.830922 0.245298 0.000000 O\n0.169078 0.754702 0.000000 O\n0.326580 0.250000 0.750000 O\n0.673420 0.750000 0.750000 O\n0.673420 0.750000 0.250000 O\n0.326580 0.250000 0.250000 O\n0.569039 0.250878 0.624176 O\n0.430961 0.749122 0.624176 O\n0.569039 0.249122 0.875824 O\n0.430961 0.750878 0.875824 O\n0.430961 0.749122 0.375824 O\n0.569039 0.250878 0.375824 O\n0.430961 0.750878 0.124176 O\n0.569039 0.249122 0.124176 O\n0.067576 0.241708 0.626787 O\n0.932424 0.758292 0.626787 O\n0.067576 0.258292 0.873213 O\n0.932424 0.741708 0.873213 O\n0.932424 0.758292 0.373213 O\n0.067576 0.241708 0.373213 O\n0.932424 0.741708 0.126787 O\n0.067576 0.258292 0.126787 O\n0.500000 0.500000 0.814431 O\n0.500000 0.000000 0.685569 O\n0.500000 0.500000 0.185569 O\n0.500000 0.000000 0.314431 O\n0.000000 0.500000 0.902021 O\n0.000000 0.000000 0.597979 O\n0.000000 0.500000 0.097979 O\n0.000000 0.000000 0.402021 O\n",
"nsites": 86,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.0953413307649393,
"density_atomic": 0.06567403165301151,
"volume": 1309.4978005063044,
"volume_molar": 9.1697442785574,
"formula_full": "Mg10 Si16 O60",
"formula_reduced": "Mg5(Si4O15)2",
"formula_anonymous": "A5B8C30",
"energy": -566.9453574,
"energy_per_atom": -6.592387876744186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -566.9453574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6132802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.554000Z",
"spacegroup": 53
},
{
"id": "mp-977299",
"created_at": "2022-09-04T14:44:57.442121Z",
"structure_string": "Li3 Pu1\n1.0\n0.000000 3.589134 3.589134\n3.589134 0.000000 3.589134\n3.589134 3.589134 0.000000\nLi Pu\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Pu"
],
"chemical_system": "Li-Pu",
"density": 4.755605097915618,
"density_atomic": 0.04325745620058444,
"volume": 92.46960758515331,
"volume_molar": 13.921624822493923,
"formula_full": "Li3 Pu1",
"formula_reduced": "Li3Pu",
"formula_anonymous": "AB3",
"energy": -18.38163481,
"energy_per_atom": -4.5954087025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.38163481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1549682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.970000Z",
"spacegroup": 225
},
{
"id": "mp-752431",
"created_at": "2022-09-04T14:44:57.477657Z",
"structure_string": "Li4 V4 P4 O16\n1.0\n0.000079 -0.000148 4.984585\n9.418629 -0.000011 0.000149\n-0.000007 6.320293 -0.000187\nLi V P O\n4 4 4 16\ndirect\n0.484114 0.170534 0.750010 Li\n0.984073 0.329437 0.249999 Li\n0.015774 0.670393 0.749995 Li\n0.515816 0.829583 0.250013 Li\n0.000378 0.999926 0.499973 V\n0.500195 0.499870 0.499796 V\n0.000254 0.000127 0.999873 V\n0.500249 0.500105 0.000079 V\n0.485460 0.178108 0.250011 P\n0.985480 0.321887 0.750042 P\n0.014518 0.678108 0.250039 P\n0.514481 0.821888 0.749985 P\n0.792457 0.137477 0.250016 O\n0.292490 0.362495 0.750207 O\n0.707417 0.637558 0.250230 O\n0.207363 0.862455 0.749767 O\n0.935489 0.155885 0.749982 O\n0.435500 0.344068 0.249999 O\n0.564394 0.655847 0.750016 O\n0.064430 0.844137 0.249973 O\n0.354550 0.120782 0.047099 O\n0.354578 0.120772 0.452918 O\n0.854513 0.379231 0.952919 O\n0.854883 0.379306 0.547072 O\n0.145236 0.620702 0.047097 O\n0.145413 0.620700 0.452898 O\n0.645241 0.879308 0.547077 O\n0.645257 0.879316 0.952913 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.421618589155129,
"density_atomic": 0.09436351791119237,
"volume": 296.7248426065615,
"volume_molar": 6.3818527470198525,
"formula_full": "Li4 V4 P4 O16",
"formula_reduced": "LiVPO4",
"formula_anonymous": "ABCD4",
"energy": -218.20937669,
"energy_per_atom": -7.793192024642857,
"energy_above_hull": null,
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"energy_uncorrected": -200.41737669,
"band_gap": 2.5718,
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"total_magnetization": 1.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.431000Z",
"spacegroup": 62
},
{
"id": "mp-1178632",
"created_at": "2022-09-04T14:45:06.227313Z",
"structure_string": "Zn4 Se4 O20\n1.0\n9.504480 0.000000 0.000000\n0.000000 5.219628 0.000000\n0.000000 3.458336 9.219955\nZn Se O\n4 4 20\ndirect\n0.365186 0.932314 0.426992 Zn\n0.134814 0.932314 0.926992 Zn\n0.634814 0.067686 0.573008 Zn\n0.865186 0.067686 0.073008 Zn\n0.835180 0.671261 0.856214 Se\n0.664820 0.671261 0.356214 Se\n0.164820 0.328739 0.143786 Se\n0.335180 0.328739 0.643786 Se\n0.693687 0.834446 0.765348 O\n0.806313 0.834446 0.265348 O\n0.306313 0.165554 0.234652 O\n0.193687 0.165554 0.734652 O\n0.417781 0.094593 0.579762 O\n0.082219 0.094593 0.079762 O\n0.582219 0.905407 0.420238 O\n0.917781 0.905407 0.920238 O\n0.770322 0.424051 0.004613 O\n0.729678 0.424051 0.504613 O\n0.229678 0.575949 0.995387 O\n0.270322 0.575949 0.495387 O\n0.452443 0.439679 0.730383 O\n0.047557 0.439679 0.230383 O\n0.547557 0.560321 0.269617 O\n0.952443 0.560321 0.769617 O\n0.061772 0.989637 0.519418 O\n0.438228 0.989637 0.019418 O\n0.938228 0.010363 0.480582 O\n0.561772 0.010363 0.980582 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Se",
"O"
],
"chemical_system": "O-Se-Zn",
"density": 3.25813758264154,
"density_atomic": 0.061215488092785236,
"volume": 457.40058394306976,
"volume_molar": 9.837609643612007,
"formula_full": "Zn4 Se4 O20",
"formula_reduced": "ZnSeO5",
"formula_anonymous": "ABC5",
"energy": -141.38517853,
"energy_per_atom": -5.049470661785714,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:46.515000Z",
"spacegroup": 14
},
{
"id": "mp-1102187",
"created_at": "2022-09-04T14:45:06.251517Z",
"structure_string": "Sm3 Fe9\n1.0\n-2.591574 -4.488738 0.000000\n2.591574 -4.488738 0.000000\n0.000000 -2.992492 8.172992\nSm Fe\n3 9\ndirect\n0.142051 0.142051 0.573847 Sm\n0.857949 0.857949 0.426153 Sm\n0.000000 0.000000 0.000000 Sm\n0.083688 0.578571 0.759170 Fe\n0.578571 0.578571 0.759170 Fe\n0.578571 0.083688 0.759170 Fe\n0.916312 0.421429 0.240830 Fe\n0.421429 0.421429 0.240830 Fe\n0.421429 0.916312 0.240830 Fe\n0.332717 0.332717 0.001849 Fe\n0.667283 0.667283 0.998151 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Fe"
],
"chemical_system": "Fe-Sm",
"density": 8.328275985363298,
"density_atomic": 0.0631076931556868,
"volume": 190.15114322743466,
"volume_molar": 9.542641251587769,
"formula_full": "Sm3 Fe9",
"formula_reduced": "SmFe3",
"formula_anonymous": "AB3",
"energy": -90.29592921,
"energy_per_atom": -7.5246607674999995,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:50.105000Z",
"spacegroup": 166
},
{
"id": "mp-796827",
"created_at": "2022-09-04T14:45:04.790578Z",
"structure_string": "Li2 Fe5 Si4 O14\n1.0\n7.643531 0.000000 0.000000\n-3.414785 7.366959 0.000000\n-1.358116 -0.809237 5.315593\nLi Fe Si O\n2 5 4 14\ndirect\n0.453676 0.231342 0.101472 Li\n0.546324 0.768658 0.898528 Li\n0.000000 0.000000 0.000000 Fe\n0.809909 0.074261 0.390713 Fe\n0.704967 0.637850 0.579791 Fe\n0.295033 0.362150 0.420209 Fe\n0.190091 0.925739 0.609287 Fe\n0.862866 0.498855 0.223546 Si\n0.391022 0.788550 0.206864 Si\n0.608978 0.211450 0.793136 Si\n0.137134 0.501145 0.776454 Si\n0.569437 0.885228 0.179948 O\n0.960489 0.792679 0.339535 O\n0.277414 0.526857 0.016627 O\n0.736506 0.404386 0.324409 O\n0.268071 0.020860 0.183992 O\n0.439467 0.691774 0.406614 O\n0.018315 0.313956 0.225701 O\n0.981685 0.686044 0.774299 O\n0.560533 0.308226 0.593386 O\n0.731929 0.979140 0.816008 O\n0.263494 0.595614 0.675591 O\n0.722586 0.473143 0.983373 O\n0.039511 0.207321 0.660465 O\n0.430563 0.114772 0.820052 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.491964699245771,
"density_atomic": 0.0835229843573655,
"volume": 299.318806581836,
"volume_molar": 7.2101599414041235,
"formula_full": "Li2 Fe5 Si4 O14",
"formula_reduced": "Li2Fe5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy": -147.46203225,
"energy_per_atom": -5.898481289999999,
"energy_above_hull": null,
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"energy_uncorrected": -126.56403225,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:53.171000Z",
"spacegroup": 2
},
{
"id": "mp-774738",
"created_at": "2022-09-04T14:45:06.680659Z",
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"formula_full": "Mg2 Ti28 O50",
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{
"id": "mp-756945",
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"structure_string": "Mn6 O4 F4\n1.0\n-2.806211 0.000042 5.175540\n6.159909 -0.000188 0.040824\n-0.000180 5.930854 -0.000051\nMn O F\n6 4 4\ndirect\n0.999996 0.999997 0.999999 Mn\n0.776331 0.657399 0.565195 Mn\n0.223669 0.342605 0.434802 Mn\n0.499998 0.999998 0.499999 Mn\n0.723633 0.342600 0.065161 Mn\n0.276375 0.657404 0.934851 Mn\n0.577813 0.337828 0.379039 O\n0.922188 0.662173 0.879054 O\n0.077813 0.337826 0.120948 O\n0.422186 0.662170 0.620955 O\n0.903977 0.112812 0.652021 F\n0.403983 0.112809 0.847978 F\n0.596018 0.887193 0.152020 F\n0.096019 0.887188 0.347978 F\n",
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{
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"structure_string": "Fe24 N10\n1.0\n4.705727 -8.150558 0.000000\n4.705727 8.150558 0.000000\n0.000000 0.000000 4.307817\nFe N\n24 10\ndirect\n0.492840 0.665614 0.747685 Fe\n0.172775 0.507160 0.747685 Fe\n0.665614 0.172775 0.252315 Fe\n0.827225 0.492840 0.252315 Fe\n0.507160 0.334386 0.252315 Fe\n0.827225 0.334386 0.747685 Fe\n0.507160 0.172775 0.747685 Fe\n0.665614 0.492840 0.747685 Fe\n0.165767 0.165767 0.246039 Fe\n0.834233 0.000000 0.246039 Fe\n0.000000 0.834233 0.246039 Fe\n0.834233 0.834233 0.753961 Fe\n0.000000 0.165767 0.753961 Fe\n0.165767 0.000000 0.753961 Fe\n0.334386 0.827225 0.747685 Fe\n0.492840 0.827225 0.252315 Fe\n0.334386 0.507160 0.252315 Fe\n0.172775 0.665614 0.252315 Fe\n0.663721 0.000000 0.754720 Fe\n0.000000 0.663721 0.754720 Fe\n0.336279 0.336279 0.754720 Fe\n0.000000 0.336279 0.245280 Fe\n0.336279 0.000000 0.245280 Fe\n0.663721 0.663721 0.245280 Fe\n0.342667 0.171334 0.000000 N\n0.828666 0.657333 0.000000 N\n0.828666 0.171334 0.000000 N\n0.657333 0.828666 0.000000 N\n0.171334 0.342667 0.000000 N\n0.171334 0.828666 0.000000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n",
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{
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"structure_string": "Al4 Mo4 O14\n1.0\n6.785439 -0.234842 3.384542\n2.064166 5.038915 3.411169\n-0.275501 -0.211225 7.241189\nAl Mo O\n4 4 14\ndirect\n0.418601 0.969961 0.553778 Al\n0.916487 0.539259 0.497904 Al\n0.598275 0.363691 0.138241 Al\n0.495307 0.532395 0.492506 Al\n0.058650 0.493698 0.977044 Mo\n0.528625 0.018922 0.923823 Mo\n0.978769 0.012330 0.494315 Mo\n0.026937 0.978225 0.980203 Mo\n0.637737 0.668236 0.544354 O\n0.433140 0.276244 0.391699 O\n0.355318 0.952908 0.827303 O\n0.928875 0.671350 0.732345 O\n0.881114 0.283696 0.067233 O\n0.994496 0.818603 0.333530 O\n0.344141 0.385031 0.786405 O\n0.290807 0.864525 0.469798 O\n0.968827 0.403358 0.295271 O\n0.557618 0.658658 0.167912 O\n0.012326 0.193899 0.666326 O\n0.678085 0.106998 0.036672 O\n0.680102 0.183650 0.603761 O\n0.215767 0.624362 0.019576 O\n",
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{
"id": "mp-1028332",
"created_at": "2022-09-04T14:45:05.853561Z",
"structure_string": "Ce1 Mg14 Al1\n1.0\n6.512503 0.054894 0.000000\n-3.208712 5.557652 0.000000\n0.000000 0.000000 10.337304\nCe Mg Al\n1 14 1\ndirect\n0.157431 0.828715 0.125000 Ce\n0.161870 0.330935 0.625000 Mg\n0.166400 0.833200 0.625000 Mg\n0.652908 0.335736 0.125000 Mg\n0.665922 0.329476 0.625000 Mg\n0.652908 0.817172 0.125000 Mg\n0.665922 0.836445 0.625000 Mg\n0.335600 0.172582 0.379361 Mg\n0.335600 0.172582 0.870639 Mg\n0.335600 0.663019 0.379361 Mg\n0.335600 0.663019 0.870639 Mg\n0.841356 0.170678 0.359841 Mg\n0.841356 0.170678 0.890159 Mg\n0.830416 0.665208 0.384584 Mg\n0.830416 0.665208 0.865416 Mg\n0.190696 0.345347 0.125000 Al\n",
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]
}