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=124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=122",
"results": [
{
"id": "mp-1522311",
"created_at": "2022-09-04T14:40:00.308665Z",
"structure_string": "Na1 Ca1 Dy1 Se1 O6\n1.0\n0.000000 -3.994842 -3.994842\n3.994842 0.000000 -3.994842\n3.994842 -3.994842 0.000000\nNa Ca Dy Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Se\n0.726590 0.273410 0.273410 O\n0.273410 0.726590 0.726590 O\n0.726590 0.273410 0.726590 O\n0.273410 0.726590 0.273410 O\n0.726590 0.726590 0.273410 O\n0.273410 0.273410 0.726590 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Dy",
"Se",
"O"
],
"chemical_system": "Ca-Dy-Na-O-Se",
"density": 5.21613722870612,
"density_atomic": 0.07842800768320214,
"volume": 127.50547024467917,
"volume_molar": 7.678558894834496,
"formula_full": "Na1 Ca1 Dy1 Se1 O6",
"formula_reduced": "NaCaDySeO6",
"formula_anonymous": "ABCDE6",
"energy": -65.08632141,
"energy_per_atom": -6.508632141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.96432141,
"band_gap": 2.2461999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.909000Z",
"spacegroup": 216
},
{
"id": "mp-1519593",
"created_at": "2022-09-04T14:40:32.566398Z",
"structure_string": "Na1 Sr1 Sm1 Mn1 O6\n1.0\n0.000000 -4.158221 -4.158221\n4.158221 0.000000 -4.158221\n4.158221 -4.158221 0.000000\nNa Sr Sm Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.771943 0.228057 0.228057 O\n0.228057 0.771943 0.771943 O\n0.771943 0.228057 0.771943 O\n0.228057 0.771943 0.228057 O\n0.771943 0.771943 0.228057 O\n0.228057 0.228057 0.771943 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O-Sm-Sr",
"density": 4.756556228450003,
"density_atomic": 0.06954202010423677,
"volume": 143.7979510087709,
"volume_molar": 8.659715019744024,
"formula_full": "Na1 Sr1 Sm1 Mn1 O6",
"formula_reduced": "NaSrSmMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.83245360000001,
"energy_per_atom": -6.983245360000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.0424536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.586000Z",
"spacegroup": 216
},
{
"id": "mp-1521505",
"created_at": "2022-09-04T14:45:37.512715Z",
"structure_string": "Na4 Sr4 Pr4 Nb4 O24\n1.0\n8.509327 0.000000 0.000000\n0.000000 8.530773 0.000000\n0.000000 0.000000 8.515334\nNa Sr Pr Nb O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.750000 Nb\n0.250000 0.750000 0.250000 Nb\n0.750000 0.250000 0.250000 Nb\n0.978333 0.193315 0.276584 O\n0.021667 0.806685 0.276584 O\n0.021667 0.193315 0.723416 O\n0.978333 0.806685 0.723416 O\n0.302054 0.977085 0.208218 O\n0.302054 0.022915 0.791782 O\n0.697946 0.022915 0.208218 O\n0.697946 0.977085 0.791782 O\n0.215241 0.299110 0.980207 O\n0.784759 0.299110 0.019793 O\n0.215241 0.700890 0.019793 O\n0.784759 0.700890 0.980207 O\n0.521667 0.306685 0.223416 O\n0.478333 0.693315 0.223416 O\n0.478333 0.306685 0.776584 O\n0.521667 0.693315 0.776584 O\n0.197946 0.522915 0.291782 O\n0.197946 0.477085 0.708218 O\n0.802054 0.477085 0.291782 O\n0.802054 0.522915 0.708218 O\n0.284759 0.200890 0.519793 O\n0.715241 0.200890 0.480207 O\n0.284759 0.799110 0.480207 O\n0.715241 0.799110 0.519793 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Pr",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O-Pr-Sr",
"density": 4.732504458669976,
"density_atomic": 0.06471049251119426,
"volume": 618.1377771631147,
"volume_molar": 9.306281757874476,
"formula_full": "Na4 Sr4 Pr4 Nb4 O24",
"formula_reduced": "NaSrPrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -306.68624133,
"energy_per_atom": -7.6671560332499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.19824133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.594000Z",
"spacegroup": 48
},
{
"id": "mp-1517421",
"created_at": "2022-09-04T14:46:56.774690Z",
"structure_string": "Sr1 Ce1 Cr1 Sn1 O6\n1.0\n0.000000 -4.013707 -4.013707\n4.013707 0.000000 -4.013707\n4.013707 -4.013707 0.000000\nSr Ce Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753438 0.246562 0.246562 O\n0.246562 0.753438 0.753438 O\n0.753438 0.246562 0.753438 O\n0.246562 0.753438 0.246562 O\n0.753438 0.753438 0.246562 O\n0.246562 0.246562 0.753438 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Cr",
"Sn",
"O"
],
"chemical_system": "Ce-Cr-O-Sn-Sr",
"density": 6.3488400296099945,
"density_atomic": 0.07732732854388702,
"volume": 129.32038631496903,
"volume_molar": 7.787855695263212,
"formula_full": "Sr1 Ce1 Cr1 Sn1 O6",
"formula_reduced": "SrCeCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.25734682999999,
"energy_per_atom": -7.8257346829999985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.13634683,
"band_gap": 0.1276999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.453000Z",
"spacegroup": 216
},
{
"id": "mp-1521501",
"created_at": "2022-09-04T14:40:31.887739Z",
"structure_string": "Ca1 Tb1 Eu1 V1 O6\n1.0\n0.000000 -4.117675 -4.117675\n4.117675 -0.000000 -4.117675\n4.117675 -4.117675 0.000000\nCa Tb Eu V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 V\n0.731498 0.268502 0.268502 O\n0.268502 0.731498 0.731498 O\n0.731498 0.268502 0.731498 O\n0.268502 0.731498 0.268502 O\n0.731498 0.731498 0.268502 O\n0.268502 0.268502 0.731498 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Tb",
"Eu",
"V",
"O"
],
"chemical_system": "Ca-Eu-O-Tb-V",
"density": 5.921198364422855,
"density_atomic": 0.07161661788213511,
"volume": 139.63239672191386,
"volume_molar": 8.40885947715528,
"formula_full": "Ca1 Tb1 Eu1 V1 O6",
"formula_reduced": "CaTbEuVO6",
"formula_anonymous": "ABCDE6",
"energy": -86.41290175,
"energy_per_atom": -8.641290175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.59090175,
"band_gap": 0.0181,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.302000Z",
"spacegroup": 216
},
{
"id": "mp-1523149",
"created_at": "2022-09-04T14:48:19.139353Z",
"structure_string": "K1 Ba1 Pr1 W1 O6\n1.0\n-0.000000 -4.330681 -4.330681\n4.330681 0.000000 -4.330681\n4.330681 -4.330681 -0.000000\nK Ba Pr W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 W\n0.726521 0.273479 0.273479 O\n0.273479 0.726521 0.726521 O\n0.726521 0.273479 0.726521 O\n0.273479 0.726521 0.273479 O\n0.726521 0.726521 0.273479 O\n0.273479 0.273479 0.726521 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ba",
"Pr",
"W",
"O"
],
"chemical_system": "Ba-K-O-Pr-W",
"density": 6.104470893598403,
"density_atomic": 0.06156039823423075,
"volume": 162.44209405454245,
"volume_molar": 9.782491557456138,
"formula_full": "K1 Ba1 Pr1 W1 O6",
"formula_reduced": "KBaPrWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.23303396,
"energy_per_atom": -7.923303396,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.67303396,
"band_gap": 2.8123000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.705000Z",
"spacegroup": 216
},
{
"id": "mp-1520935",
"created_at": "2022-09-04T14:39:26.075160Z",
"structure_string": "Ba1 Tb1 Eu1 Sb1 O6\n1.0\n-0.000000 -4.238306 -4.238306\n4.238306 -0.000000 -4.238306\n4.238306 -4.238306 -0.000000\nBa Tb Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Sb\n0.763509 0.236491 0.236491 O\n0.236491 0.763509 0.763509 O\n0.763509 0.236491 0.763509 O\n0.236491 0.763509 0.236491 O\n0.763509 0.763509 0.236491 O\n0.236491 0.236491 0.763509 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Tb",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Sb-Tb",
"density": 7.262708845554674,
"density_atomic": 0.06567394083608066,
"volume": 152.26739666741747,
"volume_molar": 9.169756958899429,
"formula_full": "Ba1 Tb1 Eu1 Sb1 O6",
"formula_reduced": "BaTbEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.94288968,
"energy_per_atom": -8.094288967999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.82088968,
"band_gap": 0.4475000000000007,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.591000Z",
"spacegroup": 216
},
{
"id": "mp-1218058",
"created_at": "2022-09-04T14:41:22.465127Z",
"structure_string": "Sr2 Pr2 Mg2 Ru2 O12\n1.0\n5.678374 0.000000 0.000000\n0.000000 5.601883 0.000000\n0.000000 5.578546 7.924900\nSr Pr Mg Ru O\n2 2 2 2 12\ndirect\n0.220215 0.244797 0.250750 Sr\n0.779785 0.244797 0.750750 Sr\n0.299066 0.761463 0.751071 Pr\n0.700934 0.761463 0.251071 Pr\n0.756391 0.499715 0.001043 Mg\n0.243609 0.499715 0.501043 Mg\n0.752398 0.000058 0.499743 Ru\n0.247602 0.000058 0.999743 Ru\n0.763249 0.331166 0.256312 O\n0.236751 0.331166 0.756312 O\n0.727322 0.693270 0.743738 O\n0.272678 0.693270 0.243738 O\n0.951073 0.758149 0.456442 O\n0.048927 0.758149 0.956442 O\n0.532968 0.234688 0.536375 O\n0.467032 0.234688 0.036375 O\n0.036524 0.153692 0.543476 O\n0.963476 0.153692 0.043476 O\n0.478276 0.823003 0.461049 O\n0.521724 0.823003 0.961049 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Mg",
"Ru",
"O"
],
"chemical_system": "Mg-O-Pr-Ru-Sr",
"density": 5.927101316012095,
"density_atomic": 0.07933743900135176,
"volume": 252.08779425889003,
"volume_molar": 7.590540904524778,
"formula_full": "Sr2 Pr2 Mg2 Ru2 O12",
"formula_reduced": "SrPrMgRuO6",
"formula_anonymous": "ABCDE6",
"energy": -149.51697196,
"energy_per_atom": -7.475848598000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.27297196,
"band_gap": 0.3557000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.076000Z",
"spacegroup": 7
},
{
"id": "mp-1518311",
"created_at": "2022-09-04T14:47:14.973024Z",
"structure_string": "Ba1 Pr1 Dy1 Sn1 O6\n1.0\n0.000000 -4.248419 -4.248419\n4.248419 -0.000000 -4.248419\n4.248419 -4.248419 0.000000\nBa Pr Dy Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sn\n0.741995 0.258005 0.258005 O\n0.258005 0.741995 0.741995 O\n0.741995 0.258005 0.741995 O\n0.258005 0.741995 0.258005 O\n0.741995 0.741995 0.258005 O\n0.258005 0.258005 0.741995 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Pr",
"Dy",
"Sn",
"O"
],
"chemical_system": "Ba-Dy-O-Pr-Sn",
"density": 7.0969331117512535,
"density_atomic": 0.06520606266275274,
"volume": 153.35997285590193,
"volume_molar": 9.235553434880206,
"formula_full": "Ba1 Pr1 Dy1 Sn1 O6",
"formula_reduced": "BaPrDySnO6",
"formula_anonymous": "ABCDE6",
"energy": -75.54207832,
"energy_per_atom": -7.554207832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.42007832,
"band_gap": 2.8386000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.475000Z",
"spacegroup": 216
},
{
"id": "mp-1521769",
"created_at": "2022-09-04T14:44:30.495192Z",
"structure_string": "K1 Ca1 Pr1 W1 O6\n1.0\n-0.000000 -4.282699 -4.282699\n4.282699 0.000000 -4.282699\n4.282699 -4.282699 0.000000\nK Ca Pr W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 W\n0.727611 0.272389 0.272389 O\n0.272389 0.727611 0.727611 O\n0.727611 0.272389 0.727611 O\n0.272389 0.727611 0.272389 O\n0.727611 0.727611 0.272389 O\n0.272389 0.272389 0.727611 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Pr",
"W",
"O"
],
"chemical_system": "Ca-K-O-Pr-W",
"density": 5.284054172466185,
"density_atomic": 0.06365277592931244,
"volume": 157.10233927747598,
"volume_molar": 9.46092400854237,
"formula_full": "K1 Ca1 Pr1 W1 O6",
"formula_reduced": "KCaPrWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.09152774,
"energy_per_atom": -7.809152774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.53152774,
"band_gap": 2.8172,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.787000Z",
"spacegroup": 216
},
{
"id": "mp-1519032",
"created_at": "2022-09-04T14:41:59.636391Z",
"structure_string": "Ba1 Ca1 Dy1 V1 O6\n1.0\n0.000000 -4.122051 -4.122051\n4.122051 0.000000 -4.122051\n4.122051 -4.122051 0.000000\nBa Ca Dy V 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 Dy\n0.500000 0.500000 0.500000 V\n0.730974 0.269026 0.269026 O\n0.269026 0.730974 0.730974 O\n0.730974 0.269026 0.730974 O\n0.269026 0.730974 0.269026 O\n0.730974 0.730974 0.269026 O\n0.269026 0.269026 0.730974 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Dy",
"V",
"O"
],
"chemical_system": "Ba-Ca-Dy-O-V",
"density": 5.771223059064858,
"density_atomic": 0.0713887737318486,
"volume": 140.0780469708322,
"volume_molar": 8.435697162442432,
"formula_full": "Ba1 Ca1 Dy1 V1 O6",
"formula_reduced": "BaCaDyVO6",
"formula_anonymous": "ABCDE6",
"energy": -78.31878581000001,
"energy_per_atom": -7.831878581000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.49678581,
"band_gap": 1.6048,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.474000Z",
"spacegroup": 216
},
{
"id": "mp-1522981",
"created_at": "2022-09-04T14:47:15.965604Z",
"structure_string": "Ba1 Ca1 Pr1 Bi1 O6\n1.0\n0.000000 -4.414481 -4.414481\n4.414481 0.000000 -4.414481\n4.414481 -4.414481 -0.000000\nBa Ca Pr Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Bi\n0.760974 0.239026 0.239026 O\n0.239026 0.760974 0.760974 O\n0.760974 0.239026 0.760974 O\n0.239026 0.760974 0.239026 O\n0.760974 0.760974 0.239026 O\n0.239026 0.239026 0.760974 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Pr",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-O-Pr",
"density": 6.015474940038878,
"density_atomic": 0.05812072840264764,
"volume": 172.05565509644333,
"volume_molar": 10.361433735447932,
"formula_full": "Ba1 Ca1 Pr1 Bi1 O6",
"formula_reduced": "BaCaPrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.15750334,
"energy_per_atom": -6.8157503340000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.03550334,
"band_gap": 2.095,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.140000Z",
"spacegroup": 216
}
]
}