HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=54",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=52",
"results": [
{
"id": "mp-17687",
"created_at": "2022-09-04T14:42:08.570821Z",
"structure_string": "Sr4 Dy8 Cu4 O20\n1.0\n5.642973 0.000000 0.000000\n0.000000 7.181303 0.000000\n0.000000 0.000000 12.088958\nSr Dy Cu O\n4 8 4 20\ndirect\n0.750000 0.082079 0.086568 Sr\n0.750000 0.417921 0.586568 Sr\n0.250000 0.582079 0.413432 Sr\n0.250000 0.917921 0.913432 Sr\n0.250000 0.394416 0.073234 Dy\n0.750000 0.613007 0.213600 Dy\n0.750000 0.886993 0.713600 Dy\n0.250000 0.113007 0.286400 Dy\n0.750000 0.605584 0.926766 Dy\n0.750000 0.894416 0.426766 Dy\n0.250000 0.105584 0.573234 Dy\n0.250000 0.386993 0.786400 Dy\n0.250000 0.778869 0.163256 Cu\n0.750000 0.221131 0.836744 Cu\n0.750000 0.278869 0.336744 Cu\n0.250000 0.721131 0.663256 Cu\n0.250000 0.425538 0.594194 O\n0.750000 0.574462 0.405806 O\n0.750000 0.925538 0.905806 O\n0.250000 0.074462 0.094194 O\n0.006135 0.848496 0.276443 O\n0.506135 0.151504 0.723557 O\n0.993865 0.348496 0.223557 O\n0.493865 0.651504 0.776443 O\n0.993865 0.151504 0.723557 O\n0.493865 0.848496 0.276443 O\n0.006135 0.651504 0.776443 O\n0.506135 0.348496 0.223557 O\n0.492333 0.664084 0.067030 O\n0.992333 0.335916 0.932970 O\n0.507667 0.164084 0.432970 O\n0.007667 0.835916 0.567030 O\n0.992333 0.164084 0.432970 O\n0.492333 0.835916 0.567030 O\n0.007667 0.664084 0.067030 O\n0.507667 0.335916 0.932970 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Dy",
"Cu",
"O"
],
"chemical_system": "Cu-Dy-O-Sr",
"density": 7.540690041368823,
"density_atomic": 0.07348562774782165,
"volume": 489.89171220718265,
"volume_molar": 8.19499124463629,
"formula_full": "Sr4 Dy8 Cu4 O20",
"formula_reduced": "SrDy2CuO5",
"formula_anonymous": "ABC2D5",
"energy": -270.15284093,
"energy_per_atom": -7.50424558138889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.41284093,
"band_gap": 0.0462000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0027038,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.021000Z",
"spacegroup": 62
},
{
"id": "mp-1178537",
"created_at": "2022-09-04T14:42:11.387016Z",
"structure_string": "Co6 C6 O21\n1.0\n4.166398 7.289878 0.000000\n-4.166398 7.289878 0.000000\n0.000000 0.383559 8.220044\nCo C O\n6 6 21\ndirect\n0.000903 0.998446 0.716217 Co\n0.001554 0.999097 0.283783 Co\n0.339971 0.335429 0.170566 Co\n0.329677 0.335992 0.737335 Co\n0.664571 0.660029 0.829434 Co\n0.664008 0.670323 0.262665 Co\n0.659709 0.998365 0.732041 C\n0.999415 0.334618 0.730146 C\n0.340238 0.666598 0.731558 C\n0.001635 0.340291 0.267959 C\n0.665382 0.000585 0.269854 C\n0.333402 0.659762 0.268442 C\n0.004037 0.995963 0.500000 O\n0.763851 0.068434 0.210301 O\n0.572803 0.164264 0.665168 O\n0.487549 0.097008 0.267128 O\n0.333135 0.330318 0.956505 O\n0.166197 0.257326 0.668043 O\n0.420816 0.481614 0.268628 O\n0.068770 0.175411 0.215183 O\n0.931566 0.236149 0.789699 O\n0.093844 0.423894 0.254859 O\n0.257268 0.584851 0.676997 O\n0.168063 0.754436 0.213571 O\n0.835736 0.427197 0.334832 O\n0.902992 0.512451 0.732872 O\n0.669682 0.666865 0.043495 O\n0.742674 0.833803 0.331957 O\n0.518386 0.579184 0.731372 O\n0.824589 0.931230 0.784817 O\n0.576106 0.906156 0.745141 O\n0.415149 0.742732 0.323003 O\n0.245564 0.831937 0.786429 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Co",
"C",
"O"
],
"chemical_system": "C-Co-O",
"density": 2.532910420756827,
"density_atomic": 0.06608894021348016,
"volume": 499.32711726657385,
"volume_molar": 9.112176319588892,
"formula_full": "Co6 C6 O21",
"formula_reduced": "Co2C2O7",
"formula_anonymous": "A2B2C7",
"energy": -249.41548382,
"energy_per_atom": -7.558044964242424,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.16048382,
"band_gap": 0.7283000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0007852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.491000Z",
"spacegroup": 5
},
{
"id": "mp-542187",
"created_at": "2022-09-04T14:42:08.572330Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.921261 -0.000314 0.000001\n-0.000314 3.921141 -0.000001\n0.000004 -0.000004 14.878096\nSr Mn Cl O\n4 2 2 6\ndirect\n0.250001 0.250002 0.090632 Sr\n0.750000 0.750001 0.909372 Sr\n0.250001 0.250001 0.341756 Sr\n0.750001 0.750001 0.658248 Sr\n0.749999 0.750000 0.210417 Mn\n0.249991 0.249992 0.789564 Mn\n0.750001 0.750001 0.422602 Cl\n0.250002 0.250000 0.577402 Cl\n0.750001 0.250000 0.230963 O\n0.250001 0.750001 0.230964 O\n0.250001 0.749998 0.769040 O\n0.749999 0.250001 0.769039 O\n0.750002 0.750001 0.074064 O\n0.250000 0.250001 0.925938 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.553130336965837,
"density_atomic": 0.06119873884247335,
"volume": 228.7628840855079,
"volume_molar": 9.840302061617804,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
"energy": -96.73585376,
"energy_per_atom": -6.90970384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.04985376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9829879,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.727000Z",
"spacegroup": 129
},
{
"id": "mp-1205757",
"created_at": "2022-09-04T14:42:08.127036Z",
"structure_string": "Rb2 Mo1 Br6\n1.0\n0.000000 5.368860 5.368860\n5.368860 0.000000 5.368860\n5.368860 5.368860 0.000000\nRb Mo Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.761008 0.238992 0.238992 Br\n0.238992 0.761008 0.761008 Br\n0.238992 0.761008 0.238992 Br\n0.761008 0.238992 0.761008 Br\n0.238992 0.238992 0.761008 Br\n0.761008 0.761008 0.238992 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"Br"
],
"chemical_system": "Br-Mo-Rb",
"density": 4.003926280116342,
"density_atomic": 0.02907811674275428,
"volume": 309.51110347414885,
"volume_molar": 20.710215910047218,
"formula_full": "Rb2 Mo1 Br6",
"formula_reduced": "Rb2MoBr6",
"formula_anonymous": "AB2C6",
"energy": -35.97785223,
"energy_per_atom": -3.997539136666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77385223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9987863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.166000Z",
"spacegroup": 225
},
{
"id": "mp-1284215",
"created_at": "2022-09-04T14:42:08.575482Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-3.858153 -3.811032 0.001765\n1.921487 -1.899402 6.141445\n-5.770794 5.694423 6.139443\nSr Y Co O\n4 4 4 16\ndirect\n0.006709 0.469992 0.823207 Sr\n0.002250 0.961589 0.323277 Sr\n0.493465 0.719112 0.571912 Sr\n0.497118 0.218093 0.071200 Sr\n0.524191 0.781263 0.945218 Y\n0.522586 0.278321 0.438897 Y\n0.977367 0.058286 0.663373 Y\n0.977265 0.549347 0.172680 Y\n0.500652 0.252087 0.749438 Co\n0.000773 0.503646 0.499191 Co\n0.495646 0.751555 0.252965 Co\n0.002372 0.998196 0.999165 Co\n0.958617 0.732423 0.946021 O\n0.938651 0.225879 0.435701 O\n0.548836 0.030816 0.640755 O\n0.546829 0.525264 0.151446 O\n0.485611 0.521824 0.843880 O\n0.474281 0.012151 0.338397 O\n0.024497 0.776442 0.593349 O\n0.016880 0.267293 0.085740 O\n0.761410 0.101290 0.869423 O\n0.754611 0.609375 0.374350 O\n0.243673 0.359069 0.613839 O\n0.243524 0.856556 0.116366 O\n0.741949 0.885277 0.132119 O\n0.750342 0.393305 0.631394 O\n0.263761 0.087426 0.859361 O\n0.246132 0.574120 0.357336 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Y",
"density": 5.525976175132826,
"density_atomic": 0.07779004023166547,
"volume": 359.94325130329764,
"volume_molar": 7.741531874858971,
"formula_full": "Sr4 Y4 Co4 O16",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
"energy": -216.29638266,
"energy_per_atom": -7.724870809285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.75238266,
"band_gap": 0.2429000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0033016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.508000Z",
"spacegroup": 1
},
{
"id": "mp-1147668",
"created_at": "2022-09-04T14:42:10.490461Z",
"structure_string": "Cu6 Ni1 O6\n1.0\n0.000000 4.109433 4.109433\n4.109433 0.000000 4.109433\n4.109433 4.109433 0.000000\nCu Ni O\n6 1 6\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.231246 0.768754 0.231246 O\n0.768754 0.231246 0.768754 O\n0.231246 0.231246 0.768754 O\n0.768754 0.768754 0.231246 O\n0.768754 0.231246 0.231246 O\n0.231246 0.768754 0.768754 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 6.4122503163159585,
"density_atomic": 0.09366290947765714,
"volume": 138.7956030033542,
"volume_molar": 6.4295896781175195,
"formula_full": "Cu6 Ni1 O6",
"formula_reduced": "Cu6NiO6",
"formula_anonymous": "AB6C6",
"energy": -69.34569192000001,
"energy_per_atom": -5.334283993846155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.68269192000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.167725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.444000Z",
"spacegroup": 225
},
{
"id": "mp-863424",
"created_at": "2022-09-04T14:42:10.331423Z",
"structure_string": "Li4 Ni2 P8 O24\n1.0\n9.290365 0.000000 0.000000\n0.000000 7.440928 0.000000\n0.000000 4.656983 7.237846\nLi Ni P O\n4 2 8 24\ndirect\n0.684110 0.774319 0.335835 Li\n0.815890 0.774319 0.835835 Li\n0.184110 0.225681 0.164165 Li\n0.315890 0.225681 0.664165 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.588300 0.451703 0.735210 P\n0.088300 0.548297 0.764790 P\n0.215091 0.795463 0.374021 P\n0.715091 0.204537 0.125979 P\n0.284909 0.795463 0.874021 P\n0.784909 0.204537 0.625979 P\n0.911700 0.451703 0.235210 P\n0.411700 0.548297 0.264790 P\n0.725671 0.368711 0.675918 O\n0.103229 0.308739 0.877421 O\n0.452719 0.346468 0.734704 O\n0.627850 0.374679 0.944821 O\n0.127850 0.625321 0.555179 O\n0.110122 0.944684 0.226717 O\n0.952719 0.653532 0.765296 O\n0.603229 0.691261 0.622579 O\n0.827242 0.087443 0.090861 O\n0.225671 0.631289 0.824082 O\n0.327242 0.912557 0.409139 O\n0.610122 0.055316 0.273283 O\n0.389878 0.944684 0.726717 O\n0.672758 0.087443 0.590861 O\n0.774329 0.368711 0.175918 O\n0.172758 0.912557 0.909139 O\n0.396771 0.308739 0.377421 O\n0.047281 0.346468 0.234704 O\n0.889878 0.055316 0.773283 O\n0.872150 0.374679 0.444821 O\n0.372150 0.625321 0.055179 O\n0.547281 0.653532 0.265296 O\n0.896771 0.691261 0.122579 O\n0.274329 0.631289 0.324082 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 2.578456521770772,
"density_atomic": 0.07594765678764646,
"volume": 500.3446005747083,
"volume_molar": 7.929330560965448,
"formula_full": "Li4 Ni2 P8 O24",
"formula_reduced": "Li2Ni(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -276.00193840000003,
"energy_per_atom": -7.263208905263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.4319384,
"band_gap": 4.0471,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.999893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.845000Z",
"spacegroup": 14
},
{
"id": "mp-755136",
"created_at": "2022-09-04T14:42:10.407274Z",
"structure_string": "Li2 Fe2 F6\n1.0\n1.473776 -4.856625 0.000000\n1.473776 4.856625 0.000000\n0.000000 0.000000 7.169032\nLi Fe F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.750974 0.249026 0.250000 Fe\n0.249026 0.750974 0.750000 Fe\n0.905502 0.094498 0.750000 F\n0.643385 0.356615 0.569428 F\n0.643385 0.356615 0.930572 F\n0.356615 0.643385 0.430572 F\n0.094498 0.905502 0.250000 F\n0.356615 0.643385 0.069428 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.8762450263780064,
"density_atomic": 0.09744138189586797,
"volume": 102.62580235865941,
"volume_molar": 6.180270274117871,
"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy": -59.56579181000001,
"energy_per_atom": -5.956579181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.28179181,
"band_gap": 3.5106,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9961779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.055000Z",
"spacegroup": 63
},
{
"id": "mp-775631",
"created_at": "2022-09-04T14:42:08.587197Z",
"structure_string": "Li4 Fe3 Cu3 Sn2 O16\n1.0\n5.957338 -0.000588 -0.015559\n-2.979647 5.191491 0.001594\n-0.020634 -0.008718 9.772561\nLi Fe Cu Sn O\n4 3 3 2 16\ndirect\n0.317562 0.660446 0.897784 Li\n0.003515 0.003122 0.994344 Li\n0.014490 0.006741 0.491981 Li\n0.661241 0.327493 0.395892 Li\n0.661311 0.831873 0.213967 Fe\n0.832386 0.662051 0.714427 Fe\n0.831667 0.169710 0.715210 Fe\n0.169336 0.829500 0.214804 Cu\n0.172433 0.339592 0.214568 Cu\n0.339558 0.170706 0.713869 Cu\n0.340027 0.667751 0.490631 Sn\n0.666385 0.336067 0.990470 Sn\n0.155130 0.829259 0.596956 O\n0.034142 0.510023 0.338886 O\n0.320596 0.659668 0.112631 O\n0.013869 0.007782 0.302647 O\n0.018987 0.008795 0.806399 O\n0.161031 0.321458 0.599116 O\n0.478506 0.965541 0.338660 O\n0.492857 0.521877 0.340965 O\n0.318812 0.163639 0.098737 O\n0.683512 0.843163 0.598452 O\n0.517013 0.491254 0.841736 O\n0.510086 0.031799 0.839382 O\n0.650661 0.325212 0.609165 O\n0.842207 0.682387 0.099589 O\n0.962243 0.480180 0.839700 O\n0.830435 0.153213 0.096874 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-Fe-Li-O-Sn",
"density": 4.831525820561175,
"density_atomic": 0.09264729735226022,
"volume": 302.22144412415406,
"volume_molar": 6.500071704307609,
"formula_full": "Li4 Fe3 Cu3 Sn2 O16",
"formula_reduced": "Li4Fe3Cu3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -177.78307064999998,
"energy_per_atom": -6.349395380357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.02307065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.3046019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.149000Z",
"spacegroup": 8
},
{
"id": "mp-1097267",
"created_at": "2022-09-04T14:42:10.858049Z",
"structure_string": "Be2 Ru1 Rh1\n1.0\n-4.248147 4.584113 6.582777\n4.248147 -4.584113 6.582777\n4.248147 4.584113 -6.582777\nBe Ru Rh\n2 1 1\ndirect\n0.000000 0.250881 0.250881 Be\n0.000000 0.749119 0.749119 Be\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ru",
"Rh"
],
"chemical_system": "Be-Rh-Ru",
"density": 0.7189154557911597,
"density_atomic": 0.0078007436451583995,
"volume": 512.7716256234924,
"volume_molar": 77.19957268096735,
"formula_full": "Be2 Ru1 Rh1",
"formula_reduced": "Be2RuRh",
"formula_anonymous": "ABC2",
"energy": -12.21893416,
"energy_per_atom": -3.05473354,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.21893416,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9992895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.915000Z",
"spacegroup": 71
},
{
"id": "mp-1198503",
"created_at": "2022-09-04T14:42:10.361354Z",
"structure_string": "U2 Zn40 Rh4\n1.0\n0.000000 7.134006 7.134006\n7.134006 0.000000 7.134006\n7.134006 7.134006 0.000000\nU Zn Rh\n2 40 4\ndirect\n0.500000 0.500000 0.500000 U\n0.750000 0.750000 0.750000 U\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.862495 0.862495 0.137505 Zn\n0.137505 0.137505 0.862495 Zn\n0.862495 0.137505 0.862495 Zn\n0.137505 0.862495 0.137505 Zn\n0.137505 0.862495 0.862495 Zn\n0.862495 0.137505 0.137505 Zn\n0.387505 0.387505 0.112495 Zn\n0.112495 0.112495 0.387505 Zn\n0.387505 0.112495 0.387505 Zn\n0.112495 0.387505 0.112495 Zn\n0.112495 0.387505 0.387505 Zn\n0.387505 0.112495 0.112495 Zn\n0.568391 0.301983 0.301983 Zn\n0.301983 0.568390 0.827644 Zn\n0.301983 0.827644 0.568391 Zn\n0.827644 0.301983 0.301983 Zn\n0.301983 0.301983 0.568391 Zn\n0.568390 0.827644 0.301983 Zn\n0.827644 0.568391 0.301983 Zn\n0.301983 0.301983 0.827644 Zn\n0.301983 0.568391 0.301983 Zn\n0.827644 0.301983 0.568391 Zn\n0.568391 0.301983 0.827644 Zn\n0.301983 0.827644 0.301983 Zn\n0.681609 0.948017 0.948017 Zn\n0.948017 0.681609 0.422356 Zn\n0.948017 0.422356 0.681610 Zn\n0.422356 0.948017 0.948017 Zn\n0.948017 0.948017 0.681610 Zn\n0.681609 0.422356 0.948017 Zn\n0.422356 0.681609 0.948017 Zn\n0.948017 0.948017 0.422356 Zn\n0.948017 0.681609 0.948017 Zn\n0.422356 0.948017 0.681609 Zn\n0.681610 0.948017 0.422356 Zn\n0.948017 0.422356 0.948017 Zn\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n0.125000 0.125000 0.125000 Rh\n",
"nsites": 46,
"nelements": 3,
"elements": [
"U",
"Zn",
"Rh"
],
"chemical_system": "Rh-U-Zn",
"density": 8.012863118465303,
"density_atomic": 0.0633472002583456,
"volume": 726.1567963919571,
"volume_molar": 9.506561829789186,
"formula_full": "U2 Zn40 Rh4",
"formula_reduced": "U(Zn10Rh)2",
"formula_anonymous": "AB2C20",
"energy": -110.90009743,
"energy_per_atom": -2.4108716832608694,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.90009743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7008118,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.807000Z",
"spacegroup": 227
},
{
"id": "mp-775990",
"created_at": "2022-09-04T14:42:11.612734Z",
"structure_string": "Fe3 Ni2 Sn1 P6 O24\n1.0\n8.538434 -0.085352 -0.060245\n4.226287 7.419613 -0.060244\n4.226288 2.428309 7.011247\nFe Ni Sn P O\n3 2 1 6 24\ndirect\n0.145472 0.145472 0.145472 Fe\n0.354430 0.354430 0.354430 Fe\n0.643884 0.643884 0.643884 Fe\n0.003477 0.003477 0.003477 Ni\n0.499314 0.499314 0.499314 Ni\n0.856116 0.856116 0.856116 Sn\n0.748015 0.449225 0.049193 P\n0.049193 0.748015 0.449225 P\n0.449225 0.049193 0.748015 P\n0.254589 0.542179 0.952839 P\n0.542179 0.952839 0.254589 P\n0.952839 0.254589 0.542179 P\n0.106860 0.322723 0.502637 O\n0.322723 0.502637 0.106860 O\n0.062783 0.907960 0.253010 O\n0.502637 0.106860 0.322723 O\n0.015142 0.817477 0.602658 O\n0.247186 0.591417 0.433720 O\n0.253010 0.062783 0.907960 O\n0.433720 0.247186 0.591417 O\n0.181397 0.390653 0.994471 O\n0.591417 0.433720 0.247186 O\n0.094589 0.744244 0.940213 O\n0.390653 0.994471 0.181397 O\n0.602658 0.015142 0.817477 O\n0.907960 0.253010 0.062783 O\n0.409321 0.559955 0.753359 O\n0.817477 0.602658 0.015142 O\n0.559955 0.753359 0.409321 O\n0.744244 0.940213 0.094589 O\n0.753359 0.409321 0.559955 O\n0.994471 0.181397 0.390653 O\n0.496747 0.889777 0.682969 O\n0.940213 0.094589 0.744244 O\n0.682969 0.496747 0.889777 O\n0.889777 0.682969 0.496747 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Fe",
"Ni",
"Sn",
"P",
"O"
],
"chemical_system": "Fe-Ni-O-P-Sn",
"density": 3.598177245319548,
"density_atomic": 0.08013419116696237,
"volume": 449.2464387017116,
"volume_molar": 7.515070249417831,
"formula_full": "Fe3 Ni2 Sn1 P6 O24",
"formula_reduced": "Fe3Ni2Sn(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -273.63087868,
"energy_per_atom": -7.600857741111112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.29287868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9999647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.274000Z",
"spacegroup": 146
}
]
}