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=10372",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10370",
"results": [
{
"id": "mp-1216392",
"created_at": "2022-09-04T14:39:18.569928Z",
"structure_string": "V2 Cr2 O6\n1.0\n5.093952 0.000006 -0.000006\n-0.000009 -2.941016 4.670846\n-2.546981 -4.411496 0.000023\nV Cr O\n2 2 6\ndirect\n0.649539 0.051372 0.299075 V\n0.149540 0.551368 0.299082 V\n0.848227 0.455337 0.696449 Cr\n0.348220 0.955344 0.696445 Cr\n0.057497 0.747758 0.506197 O\n0.746025 0.747762 0.803525 O\n0.448706 0.747767 0.194752 O\n0.246043 0.247769 0.194749 O\n0.557503 0.247763 0.803525 O\n0.948698 0.247758 0.506200 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 4.775695216504897,
"density_atomic": 0.0952719925643551,
"volume": 104.96264149450971,
"volume_molar": 6.320998016213542,
"formula_full": "V2 Cr2 O6",
"formula_reduced": "VCrO3",
"formula_anonymous": "ABC3",
"energy": -91.59223562,
"energy_per_atom": -9.159223562,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.07223562,
"band_gap": 1.6132999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.574000Z",
"spacegroup": 161
},
{
"id": "mp-998552",
"created_at": "2022-09-04T14:39:17.269563Z",
"structure_string": "Ba1 Hf1 O3\n1.0\n4.204484 0.000000 0.000000\n0.000000 4.204484 0.000000\n0.000000 0.000000 4.204484\nBa Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"O"
],
"chemical_system": "Ba-Hf-O",
"density": 8.128152154579238,
"density_atomic": 0.06727162088127316,
"volume": 74.32554670898205,
"volume_molar": 8.951978086908893,
"formula_full": "Ba1 Hf1 O3",
"formula_reduced": "BaHfO3",
"formula_anonymous": "ABC3",
"energy": -45.65362024000001,
"energy_per_atom": -9.130724048000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.59262024,
"band_gap": 3.5394,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.771000Z",
"spacegroup": 221
},
{
"id": "mp-10712",
"created_at": "2022-09-04T14:39:14.280205Z",
"structure_string": "Sc1 Rh3 C1\n1.0\n4.106474 0.000000 0.000000\n0.000000 4.106474 0.000000\n0.000000 0.000000 4.106474\nSc Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"Rh",
"C"
],
"chemical_system": "C-Rh-Sc",
"density": 8.768933352993686,
"density_atomic": 0.07220425178540371,
"volume": 69.24799961725749,
"volume_molar": 8.340424020871016,
"formula_full": "Sc1 Rh3 C1",
"formula_reduced": "ScRh3C",
"formula_anonymous": "ABC3",
"energy": -40.1281166,
"energy_per_atom": -8.02562332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.1281166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010156,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.147000Z",
"spacegroup": 221
},
{
"id": "mp-1247498",
"created_at": "2022-09-04T14:39:15.838913Z",
"structure_string": "Mo4 Ru4 N12\n1.0\n8.388581 0.042728 -0.339403\n-2.112033 5.152714 -0.236088\n-1.565475 -2.827266 7.209023\nMo Ru N\n4 4 12\ndirect\n0.979758 0.707276 0.647418 Mo\n0.020242 0.292724 0.352582 Mo\n0.615524 0.960368 0.160591 Mo\n0.384476 0.039632 0.839409 Mo\n0.688600 0.640704 0.340760 Ru\n0.311400 0.359296 0.659240 Ru\n0.698914 0.674685 0.782724 Ru\n0.301086 0.325315 0.217276 Ru\n0.732245 0.791922 0.597780 N\n0.267755 0.208078 0.402220 N\n0.810554 0.387306 0.369739 N\n0.189446 0.612694 0.630261 N\n0.928022 0.635168 0.840226 N\n0.071978 0.364832 0.159774 N\n0.530919 0.804134 0.884499 N\n0.469081 0.195866 0.115501 N\n0.837720 0.889565 0.246489 N\n0.162280 0.110435 0.753511 N\n0.533489 0.294236 0.764362 N\n0.466511 0.705764 0.235638 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mo",
"Ru",
"N"
],
"chemical_system": "Mo-N-Ru",
"density": 5.258854000547135,
"density_atomic": 0.06624596450097349,
"volume": 301.9051824614328,
"volume_molar": 9.090577524781157,
"formula_full": "Mo4 Ru4 N12",
"formula_reduced": "MoRuN3",
"formula_anonymous": "ABC3",
"energy": -178.47718014000003,
"energy_per_atom": -8.923859007,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.14518014000004,
"band_gap": 0.0948999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.743000Z",
"spacegroup": 2
},
{
"id": "mp-768307",
"created_at": "2022-09-04T14:39:17.853381Z",
"structure_string": "Ba2 S2 O6\n1.0\n5.572643 0.000000 0.000000\n0.000000 4.716658 0.000000\n0.000000 1.963260 6.508155\nBa S O\n2 2 6\ndirect\n0.250000 0.655378 0.726069 Ba\n0.750000 0.344622 0.273931 Ba\n0.250000 0.926503 0.176200 S\n0.750000 0.073497 0.823800 S\n0.750000 0.731301 0.870854 O\n0.469282 0.823201 0.318883 O\n0.030718 0.823201 0.318883 O\n0.969282 0.176799 0.681117 O\n0.530718 0.176799 0.681117 O\n0.250000 0.268699 0.129146 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"S",
"O"
],
"chemical_system": "Ba-O-S",
"density": 4.220516074236972,
"density_atomic": 0.058458343310050474,
"volume": 171.06198078454176,
"volume_molar": 10.30159326968926,
"formula_full": "Ba2 S2 O6",
"formula_reduced": "BaSO3",
"formula_anonymous": "ABC3",
"energy": -67.79983659,
"energy_per_atom": -6.779983659,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.67783659,
"band_gap": 4.4264,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.664000Z",
"spacegroup": 11
},
{
"id": "mp-1178374",
"created_at": "2022-09-04T14:39:13.960271Z",
"structure_string": "Cu2 C2 O6\n1.0\n4.357999 0.000000 0.000000\n1.830201 4.516752 0.000000\n1.931687 1.287459 6.082881\nCu C O\n2 2 6\ndirect\n0.449485 0.277150 0.764764 Cu\n0.550515 0.722850 0.235236 Cu\n0.050035 0.913882 0.753345 C\n0.949965 0.086118 0.246655 C\n0.321655 0.700750 0.707171 O\n0.754903 0.876301 0.805377 O\n0.049019 0.185742 0.743441 O\n0.950981 0.814258 0.256559 O\n0.245097 0.123699 0.194623 O\n0.678345 0.299250 0.292829 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 3.4270179129117295,
"density_atomic": 0.08351746578131625,
"volume": 119.7354338574424,
"volume_molar": 7.210636366491878,
"formula_full": "Cu2 C2 O6",
"formula_reduced": "CuCO3",
"formula_anonymous": "ABC3",
"energy": -69.88052127,
"energy_per_atom": -6.9880521270000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.75852127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1740626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.609000Z",
"spacegroup": 2
},
{
"id": "mp-550506",
"created_at": "2022-09-04T14:39:18.355771Z",
"structure_string": "K1 Cl1 O3\n1.0\n3.469472 -2.912008 0.000000\n3.469472 2.912008 0.000000\n1.025356 0.000000 4.411992\nK Cl O\n1 1 3\ndirect\n0.981463 0.981463 0.981463 K\n0.489136 0.489136 0.489136 Cl\n0.412752 0.828861 0.412752 O\n0.412752 0.412752 0.828861 O\n0.828861 0.412752 0.412752 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Cl",
"O"
],
"chemical_system": "Cl-K-O",
"density": 2.28265342975124,
"density_atomic": 0.05608533802671257,
"volume": 89.1498594092199,
"volume_molar": 10.737460041930655,
"formula_full": "K1 Cl1 O3",
"formula_reduced": "KClO3",
"formula_anonymous": "ABC3",
"energy": -23.51212903,
"energy_per_atom": -4.702425806,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.451129030000004,
"band_gap": 5.3358,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.557000Z",
"spacegroup": 160
},
{
"id": "mp-12572",
"created_at": "2022-09-04T14:39:10.716653Z",
"structure_string": "Ca1 Pd3 C1\n1.0\n4.281632 0.000000 0.000000\n0.000000 4.281632 0.000000\n0.000000 0.000000 4.281632\nCa Pd C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Pd",
"C"
],
"chemical_system": "C-Ca-Pd",
"density": 7.856027456047484,
"density_atomic": 0.06370037537642118,
"volume": 78.49247308911087,
"volume_molar": 9.453854430862755,
"formula_full": "Ca1 Pd3 C1",
"formula_reduced": "CaPd3C",
"formula_anonymous": "ABC3",
"energy": -27.73712026,
"energy_per_atom": -5.547424052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.73712026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012646,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.734000Z",
"spacegroup": 221
},
{
"id": "mp-1186320",
"created_at": "2022-09-04T14:39:13.916851Z",
"structure_string": "Np1 Hg1 O3\n1.0\n4.266996 0.000000 0.000000\n0.000000 4.266996 0.000000\n0.000000 0.000000 4.266996\nNp Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Hg",
"O"
],
"chemical_system": "Hg-Np-O",
"density": 10.378880578496316,
"density_atomic": 0.06435811228169751,
"volume": 77.6902836757368,
"volume_molar": 9.357236479592345,
"formula_full": "Np1 Hg1 O3",
"formula_reduced": "NpHgO3",
"formula_anonymous": "ABC3",
"energy": -39.99867544,
"energy_per_atom": -7.9997350879999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.93767544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.201394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.558000Z",
"spacegroup": 221
},
{
"id": "mp-1176636",
"created_at": "2022-09-04T14:39:18.886209Z",
"structure_string": "Li4 Mn4 F12\n1.0\n3.783989 -5.175127 0.000000\n3.783989 5.175127 0.000000\n0.000000 0.000000 6.479826\nLi Mn F\n4 4 12\ndirect\n0.500104 0.499896 0.750000 Li\n0.007857 0.992143 0.250000 Li\n0.499896 0.500104 0.250000 Li\n0.992143 0.007857 0.750000 Li\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.447882 0.193767 0.750000 F\n0.193767 0.447882 0.250000 F\n0.451825 0.194410 0.250000 F\n0.194410 0.451825 0.750000 F\n0.137530 0.862470 0.495583 F\n0.862470 0.137530 0.995583 F\n0.862470 0.137530 0.504417 F\n0.137530 0.862470 0.004417 F\n0.548175 0.805590 0.750000 F\n0.805590 0.548175 0.250000 F\n0.552118 0.806233 0.250000 F\n0.806233 0.552118 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.1112340161443974,
"density_atomic": 0.0788071784426421,
"volume": 253.7839876421476,
"volume_molar": 7.641614481075567,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy": -126.65868685,
"energy_per_atom": -6.3329343425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.44268685,
"band_gap": 3.5585,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0004577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.437000Z",
"spacegroup": 63
},
{
"id": "mp-1208885",
"created_at": "2022-09-04T14:39:13.681237Z",
"structure_string": "Sm4 V4 Sb12\n1.0\n6.037017 0.000000 0.000000\n0.000000 6.270428 0.000000\n0.000000 0.000000 13.090781\nSm V Sb\n4 4 12\ndirect\n0.250000 0.502652 0.309375 Sm\n0.750000 0.497348 0.690625 Sm\n0.250000 0.002652 0.690625 Sm\n0.750000 0.997348 0.309375 Sm\n0.000000 0.750000 0.904932 V\n0.000000 0.250000 0.095068 V\n0.500000 0.250000 0.095068 V\n0.500000 0.750000 0.904932 V\n0.000000 0.750000 0.501170 Sb\n0.000000 0.250000 0.498830 Sb\n0.500000 0.250000 0.498830 Sb\n0.500000 0.750000 0.501170 Sb\n0.250000 0.604284 0.065397 Sb\n0.750000 0.395716 0.934603 Sb\n0.250000 0.104284 0.934603 Sb\n0.750000 0.895716 0.065397 Sb\n0.250000 0.996797 0.220507 Sb\n0.750000 0.003203 0.779493 Sb\n0.250000 0.496797 0.779493 Sb\n0.750000 0.503203 0.220507 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"V",
"Sb"
],
"chemical_system": "Sb-Sm-V",
"density": 7.594275304023907,
"density_atomic": 0.040359414194452506,
"volume": 495.54733137700117,
"volume_molar": 14.921278913973328,
"formula_full": "Sm4 V4 Sb12",
"formula_reduced": "SmVSb3",
"formula_anonymous": "ABC3",
"energy": -117.58136457,
"energy_per_atom": -5.8790682285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.27736457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5937263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.961000Z",
"spacegroup": 57
},
{
"id": "mp-11787",
"created_at": "2022-09-04T14:39:18.888078Z",
"structure_string": "Yb2 Nd2 Se6\n1.0\n2.058739 -7.246715 0.000000\n2.058739 7.246715 0.000000\n0.000000 0.000000 9.286993\nYb Nd Se\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.248781 0.751219 0.750000 Nd\n0.751219 0.248781 0.250000 Nd\n0.109642 0.890358 0.250000 Se\n0.890358 0.109642 0.750000 Se\n0.641481 0.358519 0.575460 Se\n0.358519 0.641481 0.424540 Se\n0.641481 0.358519 0.924540 Se\n0.358519 0.641481 0.075460 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Nd",
"Se"
],
"chemical_system": "Nd-Se-Yb",
"density": 6.641531670174805,
"density_atomic": 0.036087135705454736,
"volume": 277.10705780643195,
"volume_molar": 16.6877770769979,
"formula_full": "Yb2 Nd2 Se6",
"formula_reduced": "YbNdSe3",
"formula_anonymous": "ABC3",
"energy": -52.69444014999999,
"energy_per_atom": -5.2694440149999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.86244015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018951,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.454000Z",
"spacegroup": 63
}
]
}