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=-energy_uncorrected&page=1726",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=1724",
"results": [
{
"id": "mp-631320",
"created_at": "2022-09-04T14:43:40.625230Z",
"structure_string": "Tc1 Ir1 Os1\n1.0\n0.000000 2.951238 2.951238\n2.951238 0.000000 2.951238\n2.951238 2.951238 0.000000\nTc Ir Os\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tc",
"Ir",
"Os"
],
"chemical_system": "Ir-Os-Tc",
"density": 15.518576629906402,
"density_atomic": 0.058355064903582825,
"volume": 51.40941930159363,
"volume_molar": 10.319825314135258,
"formula_full": "Tc1 Ir1 Os1",
"formula_reduced": "TcIrOs",
"formula_anonymous": "ABC",
"energy": -28.79206787,
"energy_per_atom": -9.597355956666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79206787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.927000Z",
"spacegroup": 216
},
{
"id": "mp-1213037",
"created_at": "2022-09-04T14:43:24.225070Z",
"structure_string": "K4 Li4 As4\n1.0\n-4.311587 0.000000 0.000000\n0.000000 0.000000 -12.867966\n0.000000 -14.594449 0.000000\nK Li As\n4 4 4\ndirect\n0.500000 0.818290 0.728409 K\n0.500000 0.818290 0.271591 K\n0.500000 0.181710 0.228409 K\n0.500000 0.181710 0.771591 K\n0.500000 0.431972 0.885611 Li\n0.500000 0.431972 0.114389 Li\n0.500000 0.568028 0.385611 Li\n0.500000 0.568028 0.614389 Li\n0.500000 0.582572 0.215195 As\n0.500000 0.582572 0.784805 As\n0.500000 0.417428 0.715195 As\n0.500000 0.417428 0.284805 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Li",
"As"
],
"chemical_system": "As-K-Li",
"density": 0.9922459536020145,
"density_atomic": 0.01481994132780943,
"volume": 809.7198048606409,
"volume_molar": 40.63538867525426,
"formula_full": "K4 Li4 As4",
"formula_reduced": "KLiAs",
"formula_anonymous": "ABC",
"energy": -28.79306955,
"energy_per_atom": -2.3994224625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79306955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1025884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.681000Z",
"spacegroup": 51
},
{
"id": "mp-865353",
"created_at": "2022-09-04T14:44:11.546286Z",
"structure_string": "Tm2 I6\n1.0\n5.845650 -10.124963 0.000000\n5.845650 10.124963 0.000000\n0.000000 0.000000 3.951988\nTm I\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.219991 0.439983 0.250000 I\n0.560017 0.780009 0.250000 I\n0.219991 0.780009 0.250000 I\n0.780009 0.560017 0.750000 I\n0.439983 0.219991 0.750000 I\n0.780009 0.219991 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"I"
],
"chemical_system": "I-Tm",
"density": 3.902038752301893,
"density_atomic": 0.01710086664285558,
"volume": 467.81254816358967,
"volume_molar": 35.2154126791927,
"formula_full": "Tm2 I6",
"formula_reduced": "TmI3",
"formula_anonymous": "AB3",
"energy": -31.06854525,
"energy_per_atom": -3.88356815625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79454525,
"band_gap": 2.2545,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.671000Z",
"spacegroup": 194
},
{
"id": "mp-1206200",
"created_at": "2022-09-04T14:39:21.620845Z",
"structure_string": "Dy1 Cu2 Se1 O2\n1.0\n3.661784 0.000000 0.000000\n0.000000 3.661784 0.000000\n0.000000 0.000000 11.962428\nDy Cu Se O\n1 2 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.500000 0.500000 0.181914 Cu\n0.500000 0.500000 0.818086 Cu\n0.500000 0.500000 0.000000 Se\n0.500000 0.500000 0.671485 O\n0.500000 0.500000 0.328515 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Dy",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-Dy-O-Se",
"density": 4.146693334727072,
"density_atomic": 0.03740644775979976,
"volume": 160.40015450085386,
"volume_molar": 16.099205138831493,
"formula_full": "Dy1 Cu2 Se1 O2",
"formula_reduced": "DyCu2SeO2",
"formula_anonymous": "ABC2D2",
"energy": -30.64116269,
"energy_per_atom": -5.106860448333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.795162690000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0303042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.234000Z",
"spacegroup": 123
},
{
"id": "mp-1184948",
"created_at": "2022-09-04T14:43:35.984719Z",
"structure_string": "K1 Mn1 O3\n1.0\n3.956178 0.000000 0.000000\n0.000000 3.956178 0.000000\n0.000000 0.000000 3.956178\nK Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Mn\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": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.809040682836771,
"density_atomic": 0.08075000050352761,
"volume": 61.91950425785535,
"volume_molar": 7.457759408604485,
"formula_full": "K1 Mn1 O3",
"formula_reduced": "KMnO3",
"formula_anonymous": "ABC3",
"energy": -32.52485381,
"energy_per_atom": -6.504970762000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79585381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9945617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.107000Z",
"spacegroup": 221
},
{
"id": "mp-866187",
"created_at": "2022-09-04T14:45:21.238857Z",
"structure_string": "Ti2 Zn1 Tc1\n1.0\n0.000000 3.127905 3.127905\n3.127905 0.000000 3.127905\n3.127905 3.127905 0.000000\nTi Zn Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Tc"
],
"chemical_system": "Tc-Ti-Zn",
"density": 7.030689542817842,
"density_atomic": 0.06535357247749823,
"volume": 61.2055293744995,
"volume_molar": 9.214707829588768,
"formula_full": "Ti2 Zn1 Tc1",
"formula_reduced": "Ti2ZnTc",
"formula_anonymous": "ABC2",
"energy": -28.79672786,
"energy_per_atom": -7.199181965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79672786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.328000Z",
"spacegroup": 225
},
{
"id": "mp-1023497",
"created_at": "2022-09-04T14:48:10.369994Z",
"structure_string": "Mg15 C1\n1.0\n3.152933 -5.461041 0.000000\n3.152933 5.461041 0.000000\n0.000000 0.000000 9.928645\nMg C\n15 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.990604 0.495302 0.500000 Mg\n0.005561 0.502781 0.000000 Mg\n0.504698 0.495302 0.500000 Mg\n0.497219 0.502781 0.000000 Mg\n0.504698 0.009396 0.500000 Mg\n0.497219 0.994439 0.000000 Mg\n0.159422 0.318843 0.268607 Mg\n0.159422 0.318843 0.731393 Mg\n0.159422 0.840578 0.268607 Mg\n0.159422 0.840578 0.731393 Mg\n0.681157 0.840578 0.268607 Mg\n0.681157 0.840578 0.731393 Mg\n0.666667 0.333333 0.247199 Mg\n0.666667 0.333333 0.752801 Mg\n0.000000 0.000000 0.500000 C\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 1.8289539236096954,
"density_atomic": 0.046796117750995445,
"volume": 341.9087045882059,
"volume_molar": 12.868889663121461,
"formula_full": "Mg15 C1",
"formula_reduced": "Mg15C",
"formula_anonymous": "AB15",
"energy": -28.79678417,
"energy_per_atom": -1.799799010625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79678417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.955000Z",
"spacegroup": 187
},
{
"id": "mp-31413",
"created_at": "2022-09-04T14:45:17.623026Z",
"structure_string": "Tb2 Sn2 Au2\n1.0\n2.361240 -4.089788 0.000000\n2.361240 4.089788 0.000000\n0.000000 0.000000 7.485465\nTb Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.243806 Tb\n0.000000 0.000000 0.743806 Tb\n0.666667 0.333333 0.969689 Sn\n0.333333 0.666667 0.469689 Sn\n0.333333 0.666667 0.070805 Au\n0.666667 0.333333 0.570805 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Sn",
"Au"
],
"chemical_system": "Au-Sn-Tb",
"density": 10.902318750616553,
"density_atomic": 0.04150128487952193,
"volume": 144.57383710933235,
"volume_molar": 14.510733288095182,
"formula_full": "Tb2 Sn2 Au2",
"formula_reduced": "TbSnAu",
"formula_anonymous": "ABC",
"energy": -28.79767915,
"energy_per_atom": -4.7996131916666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79767915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.21e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.909000Z",
"spacegroup": 186
},
{
"id": "mp-631280",
"created_at": "2022-09-04T14:45:14.520917Z",
"structure_string": "Mn1 Tc1 Os1\n1.0\n0.000000 2.920583 2.920583\n2.920583 0.000000 2.920583\n2.920583 2.920583 0.000000\nMn Tc Os\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Tc",
"Os"
],
"chemical_system": "Mn-Os-Tc",
"density": 11.437135950789079,
"density_atomic": 0.060211937225137346,
"volume": 49.82400730245159,
"volume_molar": 10.001572840087713,
"formula_full": "Mn1 Tc1 Os1",
"formula_reduced": "MnTcOs",
"formula_anonymous": "ABC",
"energy": -28.79833981,
"energy_per_atom": -9.599446603333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79833981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.412204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.246000Z",
"spacegroup": 216
},
{
"id": "mp-1111578",
"created_at": "2022-09-04T14:47:15.899129Z",
"structure_string": "K2 Tl1 In1 Br6\n1.0\n0.000000 5.840846 5.840846\n5.840846 0.000000 5.840846\n5.840846 5.840846 0.000000\nK Tl In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n0.731993 0.268007 0.268007 Br\n0.268007 0.268007 0.731993 Br\n0.268007 0.731993 0.731993 Br\n0.268007 0.731993 0.268007 Br\n0.731993 0.268007 0.731993 Br\n0.731993 0.731993 0.268007 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"In",
"Br"
],
"chemical_system": "Br-In-K-Tl",
"density": 3.6534504615932093,
"density_atomic": 0.025092430911003206,
"volume": 398.52655310549966,
"volume_molar": 23.99982999398934,
"formula_full": "K2 Tl1 In1 Br6",
"formula_reduced": "K2TlInBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.00314947,
"energy_per_atom": -3.200314947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79914947,
"band_gap": 2.1232,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.936000Z",
"spacegroup": 225
},
{
"id": "mp-1066581",
"created_at": "2022-09-04T14:48:14.819606Z",
"structure_string": "V1 Ga1 Fe1 Co1\n1.0\n0.000000 2.868984 2.868984\n2.868984 0.000000 2.868984\n2.868984 2.868984 0.000000\nV Ga Fe Co\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n",
"nsites": 4,
"nelements": 4,
"elements": [
"V",
"Ga",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ga-V",
"density": 8.277895572126218,
"density_atomic": 0.08469262951505399,
"volume": 47.229611630950785,
"volume_molar": 7.110584232042971,
"formula_full": "V1 Ga1 Fe1 Co1",
"formula_reduced": "VGaFeCo",
"formula_anonymous": "ABCD",
"energy": -28.79978646,
"energy_per_atom": -7.199946615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79978646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9927187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.523000Z",
"spacegroup": 216
},
{
"id": "mp-35276",
"created_at": "2022-09-04T14:45:52.890688Z",
"structure_string": "K1 Fe2 As2\n1.0\n-1.886832 1.886832 7.066672\n1.886832 -1.886832 7.066672\n1.886832 1.886832 -7.066672\nK Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.653192 0.653192 0.000000 As\n0.346808 0.346808 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Fe",
"As"
],
"chemical_system": "As-Fe-K",
"density": 4.9606911586780305,
"density_atomic": 0.049685379667084806,
"volume": 100.63322517614498,
"volume_molar": 12.12054894287042,
"formula_full": "K1 Fe2 As2",
"formula_reduced": "K(FeAs)2",
"formula_anonymous": "AB2C2",
"energy": -28.80228941,
"energy_per_atom": -5.760457882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.80228941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3381583,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.717000Z",
"spacegroup": 139
}
]
}