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=formula_anonymous&page=12132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12130",
"results": [
{
"id": "mp-1520704",
"created_at": "2022-09-04T14:39:19.739089Z",
"structure_string": "Na1 Sr1 La1 Mn1 O6\n1.0\n-0.000000 -4.222129 -4.222129\n4.222129 0.000000 -4.222129\n4.222129 -4.222129 -0.000000\nNa Sr La Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.725406 0.274594 0.274594 O\n0.274594 0.725406 0.725406 O\n0.725406 0.274594 0.725406 O\n0.274594 0.725406 0.274594 O\n0.725406 0.725406 0.274594 O\n0.274594 0.274594 0.725406 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-Na-O-Sr",
"density": 4.417459357222802,
"density_atomic": 0.06643172189734387,
"volume": 150.5304952873701,
"volume_molar": 9.065158312930594,
"formula_full": "Na1 Sr1 La1 Mn1 O6",
"formula_reduced": "NaSrLaMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.80349404,
"energy_per_atom": -6.980349404,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.01349404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.999000Z",
"spacegroup": 216
},
{
"id": "mp-1522207",
"created_at": "2022-09-04T14:39:15.297436Z",
"structure_string": "Na1 Pr1 Hf1 Ti1 O6\n1.0\n-0.000000 -3.997185 -3.997185\n3.997185 0.000000 -3.997185\n3.997185 -3.997185 -0.000000\nNa Pr Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743894 0.256106 0.256106 O\n0.256106 0.743894 0.743894 O\n0.743894 0.256106 0.743894 O\n0.256106 0.743894 0.256106 O\n0.743894 0.743894 0.256106 O\n0.256106 0.256106 0.743894 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Hf",
"Ti",
"O"
],
"chemical_system": "Hf-Na-O-Pr-Ti",
"density": 6.321449908310516,
"density_atomic": 0.07829017383386552,
"volume": 127.72995013678661,
"volume_molar": 7.692077389915102,
"formula_full": "Na1 Pr1 Hf1 Ti1 O6",
"formula_reduced": "NaPrHfTiO6",
"formula_anonymous": "ABCDE6",
"energy": -88.05995537,
"energy_per_atom": -8.805995537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.93795537,
"band_gap": 2.2549,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.717000Z",
"spacegroup": 216
},
{
"id": "mp-1520219",
"created_at": "2022-09-04T14:39:11.737772Z",
"structure_string": "K1 Ce1 Sn1 W1 O6\n1.0\n0.000000 -4.255026 -4.255026\n4.255026 0.000000 -4.255026\n4.255026 -4.255026 -0.000000\nK Ce Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n-0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.730191 0.269809 0.269809 O\n0.269809 0.730191 0.730191 O\n0.730191 0.269809 0.730191 O\n0.269809 0.730191 0.269809 O\n0.730191 0.730191 0.269809 O\n0.269809 0.269809 0.730191 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ce",
"Sn",
"W",
"O"
],
"chemical_system": "Ce-K-O-Sn-W",
"density": 6.2267358800915,
"density_atomic": 0.0649027875350679,
"volume": 154.07658715115832,
"volume_molar": 9.278708956446827,
"formula_full": "K1 Ce1 Sn1 W1 O6",
"formula_reduced": "KCeSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.90147738,
"energy_per_atom": -7.790147738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.34147738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.220000Z",
"spacegroup": 216
},
{
"id": "mp-1520623",
"created_at": "2022-09-04T14:39:15.332493Z",
"structure_string": "K1 Eu1 Mn1 Bi1 O6\n1.0\n0.000000 -4.087471 -4.087471\n4.087471 -0.000000 -4.087471\n4.087471 -4.087471 0.000000\nK Eu Mn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Bi\n0.739258 0.260742 0.260742 O\n0.260742 0.739258 0.739258 O\n0.739258 0.260742 0.739258 O\n0.260742 0.739258 0.260742 O\n0.739258 0.739258 0.260742 O\n0.260742 0.260742 0.739258 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-K-Mn-O",
"density": 6.698670761985239,
"density_atomic": 0.07321599201272193,
"volume": 136.58218273218796,
"volume_molar": 8.225171297212773,
"formula_full": "K1 Eu1 Mn1 Bi1 O6",
"formula_reduced": "KEuMnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -73.56772213,
"energy_per_atom": -7.356772213000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.77772213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.373000Z",
"spacegroup": 216
},
{
"id": "mp-1518602",
"created_at": "2022-09-04T14:39:12.749873Z",
"structure_string": "Sr1 Ca1 Tb1 Ni1 O6\n1.0\n-0.000000 -4.033036 -4.033036\n4.033036 0.000000 -4.033036\n4.033036 -4.033036 -0.000000\nSr Ca Tb Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Ni\n0.770767 0.229233 0.229233 O\n0.229233 0.770767 0.770767 O\n0.770767 0.229233 0.770767 O\n0.229233 0.770767 0.229233 O\n0.770767 0.770767 0.229233 O\n0.229233 0.229233 0.770767 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O-Sr-Tb",
"density": 5.585597978946614,
"density_atomic": 0.07622083608796236,
"volume": 131.1977211645847,
"volume_molar": 7.900911442443601,
"formula_full": "Sr1 Ca1 Tb1 Ni1 O6",
"formula_reduced": "SrCaTbNiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.80848771,
"energy_per_atom": -6.780848771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.14548771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.388000Z",
"spacegroup": 216
},
{
"id": "mp-1522323",
"created_at": "2022-09-04T14:39:19.447576Z",
"structure_string": "K4 Ba4 Sm4 Mn4 O24\n1.0\n8.466096 0.000000 0.000000\n0.000000 8.441227 0.000000\n0.000000 0.000000 8.464392\nK Ba Sm Mn O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.250000 Sm\n0.750000 0.250000 0.750000 Sm\n0.250000 0.750000 0.750000 Sm\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.750000 Mn\n0.250000 0.750000 0.250000 Mn\n0.750000 0.250000 0.250000 Mn\n0.977437 0.244129 0.257858 O\n0.022564 0.755871 0.257858 O\n0.022564 0.244129 0.742142 O\n0.977437 0.755871 0.742142 O\n0.255621 0.977661 0.234110 O\n0.255621 0.022339 0.765890 O\n0.744379 0.022339 0.234110 O\n0.744379 0.977661 0.765890 O\n0.241704 0.250672 0.977792 O\n0.758296 0.250672 0.022208 O\n0.241704 0.749328 0.022208 O\n0.758296 0.749328 0.977792 O\n0.522563 0.255871 0.242142 O\n0.477436 0.744129 0.242142 O\n0.477436 0.255871 0.757858 O\n0.522563 0.744129 0.757858 O\n0.244379 0.522339 0.265890 O\n0.244379 0.477661 0.734110 O\n0.755621 0.477661 0.265890 O\n0.755621 0.522339 0.734110 O\n0.258296 0.249328 0.522208 O\n0.741704 0.249328 0.477792 O\n0.258296 0.750672 0.477792 O\n0.741704 0.750672 0.522208 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ba",
"Sm",
"Mn",
"O"
],
"chemical_system": "Ba-K-Mn-O-Sm",
"density": 5.245631086533786,
"density_atomic": 0.06612648758961177,
"volume": 604.9013255965504,
"volume_molar": 9.107002321632542,
"formula_full": "K4 Ba4 Sm4 Mn4 O24",
"formula_reduced": "KBaSmMnO6",
"formula_anonymous": "ABCDE6",
"energy": -281.11243994,
"energy_per_atom": -7.0278109985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.95243994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.056000Z",
"spacegroup": 48
},
{
"id": "mp-1519616",
"created_at": "2022-09-04T14:39:20.204100Z",
"structure_string": "Ca1 Eu1 Zr1 Fe1 O6\n1.0\n-0.000000 -4.025982 -4.025982\n4.025982 0.000000 -4.025982\n4.025982 -4.025982 0.000000\nCa Eu Zr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Fe\n0.757130 0.242870 0.242870 O\n0.242870 0.757130 0.757130 O\n0.757130 0.242870 0.757130 O\n0.242870 0.757130 0.242870 O\n0.757130 0.757130 0.242870 O\n0.242870 0.242870 0.757130 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Fe",
"O"
],
"chemical_system": "Ca-Eu-Fe-O-Zr",
"density": 5.536051031375938,
"density_atomic": 0.07662218242440896,
"volume": 130.51050862281852,
"volume_molar": 7.859526535858068,
"formula_full": "Ca1 Eu1 Zr1 Fe1 O6",
"formula_reduced": "CaEuZrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -87.92760944,
"energy_per_atom": -8.792760944,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.54960943999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.620000Z",
"spacegroup": 216
},
{
"id": "mp-1522833",
"created_at": "2022-09-04T14:39:19.567821Z",
"structure_string": "Ba1 Ca1 Eu1 W1 O6\n1.0\n0.000000 -4.297495 -4.297495\n4.297495 0.000000 -4.297495\n4.297495 -4.297495 0.000000\nBa Ca Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ca\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 W\n0.728879 0.271121 0.271121 O\n0.271121 0.728879 0.728879 O\n0.728879 0.271121 0.728879 O\n0.271121 0.728879 0.271121 O\n0.728879 0.728879 0.271121 O\n0.271121 0.271121 0.728879 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-W",
"density": 6.372894160136364,
"density_atomic": 0.06299757962451735,
"volume": 158.7362571642071,
"volume_molar": 9.559320843584135,
"formula_full": "Ba1 Ca1 Eu1 W1 O6",
"formula_reduced": "BaCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -85.30795637,
"energy_per_atom": -8.530795637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.74795637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.577000Z",
"spacegroup": 216
},
{
"id": "mp-1521558",
"created_at": "2022-09-04T14:39:18.277586Z",
"structure_string": "Ba1 Ca1 Ce1 Hf1 O6\n1.0\n-0.000000 -4.298555 -4.298555\n4.298555 -0.000000 -4.298555\n4.298555 -4.298555 0.000000\nBa Ca Ce Hf O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hf\n0.741410 0.258590 0.258590 O\n0.258590 0.741410 0.741410 O\n0.741410 0.258590 0.741410 O\n0.258590 0.741410 0.258590 O\n0.741410 0.741410 0.258590 O\n0.258590 0.258590 0.741410 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Ce",
"Hf",
"O"
],
"chemical_system": "Ba-Ca-Ce-Hf-O",
"density": 6.188405642685841,
"density_atomic": 0.06295098654697769,
"volume": 158.85374556501063,
"volume_molar": 9.566396160457197,
"formula_full": "Ba1 Ca1 Ce1 Hf1 O6",
"formula_reduced": "BaCaCeHfO6",
"formula_anonymous": "ABCDE6",
"energy": -85.06539447,
"energy_per_atom": -8.506539447,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.94339446999999,
"band_gap": 2.3769,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.574000Z",
"spacegroup": 216
},
{
"id": "mp-684865",
"created_at": "2022-09-04T14:43:12.436783Z",
"structure_string": "Sr4 La4 Mn4 Fe4 O24\n1.0\n11.069629 0.000000 0.000000\n0.000000 5.534504 0.000000\n0.000000 0.061017 7.843016\nSr La Mn Fe O\n4 4 4 4 24\ndirect\n0.379012 0.750000 0.500000 Sr\n0.618779 0.250000 0.000000 Sr\n0.381221 0.750000 0.000000 Sr\n0.620988 0.250000 0.500000 Sr\n0.873483 0.750000 0.500000 La\n0.131285 0.250000 0.000000 La\n0.868715 0.750000 0.000000 La\n0.126517 0.250000 0.500000 La\n0.376634 0.252337 0.750880 Mn\n0.623366 0.747663 0.249120 Mn\n0.376634 0.247663 0.249120 Mn\n0.623366 0.752337 0.750880 Mn\n0.872558 0.247992 0.749183 Fe\n0.127442 0.752008 0.250817 Fe\n0.872558 0.252008 0.250817 Fe\n0.127442 0.747992 0.749183 Fe\n0.508861 0.017109 0.266934 O\n0.385613 0.250000 0.000000 O\n0.508861 0.482891 0.733066 O\n0.762086 0.530539 0.768074 O\n0.491139 0.517109 0.266934 O\n0.649506 0.750000 0.500000 O\n0.614387 0.750000 0.000000 O\n0.762086 0.969461 0.231926 O\n0.491139 0.982891 0.733066 O\n0.011866 0.027707 0.274140 O\n0.743252 0.005883 0.771010 O\n0.899722 0.250000 0.000000 O\n0.856637 0.250000 0.500000 O\n0.011866 0.472293 0.725860 O\n0.743252 0.494117 0.228990 O\n0.256748 0.505883 0.771010 O\n0.988134 0.527707 0.274140 O\n0.143363 0.750000 0.500000 O\n0.100278 0.750000 0.000000 O\n0.256748 0.994117 0.228990 O\n0.988134 0.972293 0.725860 O\n0.237914 0.030539 0.768074 O\n0.350494 0.250000 0.500000 O\n0.237914 0.469461 0.231926 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sr",
"density": 5.989738077512933,
"density_atomic": 0.0832463343527503,
"volume": 480.50163783191823,
"volume_molar": 7.234121246085882,
"formula_full": "Sr4 La4 Mn4 Fe4 O24",
"formula_reduced": "SrLaMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -322.23552467,
"energy_per_atom": -8.055888116750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.05152467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9996781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.643000Z",
"spacegroup": 13
},
{
"id": "mp-1521304",
"created_at": "2022-09-04T14:43:13.731360Z",
"structure_string": "Ba4 Eu4 Dy4 Sn4 O24\n1.0\n8.465155 0.000000 0.000000\n0.000000 8.418078 0.000000\n0.000000 0.000000 8.470124\nBa Eu Dy Sn O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.750000 Dy\n0.250000 0.750000 0.250000 Dy\n0.750000 0.250000 0.250000 Dy\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.250000 Sn\n0.750000 0.250000 0.750000 Sn\n0.250000 0.750000 0.750000 Sn\n0.009069 0.189905 0.281322 O\n0.990931 0.810095 0.281322 O\n0.990931 0.189905 0.718678 O\n0.009069 0.810095 0.718678 O\n0.308160 0.009464 0.206360 O\n0.308160 0.990536 0.793640 O\n0.691840 0.990536 0.206360 O\n0.691840 0.009464 0.793640 O\n0.231529 0.283229 0.008921 O\n0.768471 0.283229 0.991079 O\n0.231529 0.716771 0.991079 O\n0.768471 0.716771 0.008921 O\n0.490931 0.310095 0.218678 O\n0.509069 0.689905 0.218678 O\n0.509069 0.310095 0.781322 O\n0.490931 0.689905 0.781322 O\n0.191840 0.490536 0.293640 O\n0.191840 0.509464 0.706360 O\n0.808160 0.509464 0.293640 O\n0.808160 0.490536 0.706360 O\n0.268471 0.216771 0.491079 O\n0.731529 0.216771 0.508921 O\n0.268471 0.783229 0.508921 O\n0.731529 0.783229 0.491079 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"Sn",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-Sn",
"density": 7.334489985794091,
"density_atomic": 0.06627082283070632,
"volume": 603.5838743421511,
"volume_molar": 9.087167629386467,
"formula_full": "Ba4 Eu4 Dy4 Sn4 O24",
"formula_reduced": "BaEuDySnO6",
"formula_anonymous": "ABCDE6",
"energy": -323.01432753,
"energy_per_atom": -8.07535818825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.52632753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.320000Z",
"spacegroup": 48
},
{
"id": "mp-1272613",
"created_at": "2022-09-04T14:43:10.047995Z",
"structure_string": "Sr2 La2 V2 Fe2 O12\n1.0\n-3.971444 -0.000719 -3.925291\n0.000822 -7.835035 -0.002251\n-3.969225 0.001544 3.923112\nSr La V Fe O\n2 2 2 2 12\ndirect\n0.500015 0.247747 0.999941 Sr\n0.999977 0.752226 0.500039 Sr\n0.499977 0.756573 0.999998 La\n0.999988 0.243225 0.499953 La\n0.499949 0.000063 0.499867 V\n0.000003 0.500003 0.000022 V\n0.999970 0.999897 0.999943 Fe\n0.499989 0.499980 0.499983 Fe\n0.756949 0.500051 0.242601 O\n0.252119 0.999865 0.747963 O\n0.999991 0.747928 0.000059 O\n0.500121 0.243412 0.499836 O\n0.250388 0.500045 0.249960 O\n0.746624 0.999976 0.746633 O\n0.243059 0.500033 0.757419 O\n0.747981 0.000214 0.252123 O\n0.000028 0.252012 0.999973 O\n0.499920 0.756622 0.500249 O\n0.749621 0.500035 0.750057 O\n0.253330 0.000092 0.253382 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr-V",
"density": 5.839816351870166,
"density_atomic": 0.0819182633119061,
"volume": 244.145800843573,
"volume_molar": 7.351401893214617,
"formula_full": "Sr2 La2 V2 Fe2 O12",
"formula_reduced": "SrLaVFeO6",
"formula_anonymous": "ABCDE6",
"energy": -164.64900265,
"energy_per_atom": -8.2324501325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.49300265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.034752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.735000Z",
"spacegroup": 115
}
]
}