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=nelements&page=134",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=132",
"results": [
{
"id": "mp-1073823",
"created_at": "2022-09-04T14:41:57.167054Z",
"structure_string": "Mg6 Si6\n1.0\n4.516591 0.000000 0.000000\n-1.919333 5.077652 0.000000\n-2.163289 -1.488839 9.583827\nMg Si\n6 6\ndirect\n0.544640 0.673885 0.386711 Mg\n0.455360 0.326115 0.613289 Mg\n0.225896 0.623065 0.823185 Mg\n0.774104 0.376935 0.176815 Mg\n0.841025 0.973491 0.712787 Mg\n0.158975 0.026509 0.287213 Mg\n0.424027 0.743527 0.111039 Si\n0.138168 0.241580 0.009108 Si\n0.836765 0.270254 0.441207 Si\n0.163235 0.729746 0.558793 Si\n0.575973 0.256473 0.888961 Si\n0.861832 0.758420 0.990892 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3748721130937716,
"density_atomic": 0.05459697524166303,
"volume": 219.79239595022077,
"volume_molar": 11.030172886582363,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -40.62765893,
"energy_per_atom": -3.385638244166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.05365893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.001000Z",
"spacegroup": 2
},
{
"id": "mp-1189382",
"created_at": "2022-09-04T14:42:03.918281Z",
"structure_string": "La4 Co14\n1.0\n-2.515707 -4.357332 0.000000\n-5.031414 0.000000 0.000000\n-2.515707 -1.452444 -12.377734\nLa Co\n4 14\ndirect\n0.948322 0.948322 0.155035 La\n0.051678 0.051678 0.844965 La\n0.851556 0.851556 0.445331 La\n0.148444 0.148444 0.554669 La\n0.500000 0.500000 0.500000 Co\n0.721628 0.721628 0.835116 Co\n0.278372 0.278372 0.164884 Co\n0.612664 0.612664 0.162007 Co\n0.387336 0.387336 0.837993 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.394072 0.394072 0.321976 Co\n0.889880 0.394072 0.321976 Co\n0.394072 0.889880 0.321976 Co\n0.605928 0.605928 0.678024 Co\n0.110120 0.605928 0.678024 Co\n0.605928 0.110120 0.678024 Co\n",
"nsites": 18,
"nelements": 2,
"elements": [
"La",
"Co"
],
"chemical_system": "Co-La",
"density": 8.44874805937382,
"density_atomic": 0.0663316276663507,
"volume": 271.3637616513849,
"volume_molar": 9.078837610154055,
"formula_full": "La4 Co14",
"formula_reduced": "La2Co7",
"formula_anonymous": "A2B7",
"energy": -119.80969794,
"energy_per_atom": -6.65609433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.80969794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.2794039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.055000Z",
"spacegroup": 166
},
{
"id": "mp-1179774",
"created_at": "2022-09-04T14:41:56.906315Z",
"structure_string": "Rb12 Pd4\n1.0\n-5.990459 5.990459 5.990459\n5.990459 -5.990459 5.990459\n5.990459 5.990459 -5.990459\nRb Pd\n12 4\ndirect\n0.300917 0.116257 0.815340 Rb\n0.699083 0.883743 0.184660 Rb\n0.300917 0.485576 0.184660 Rb\n0.699083 0.514424 0.815340 Rb\n0.815340 0.300917 0.116257 Rb\n0.184660 0.699083 0.883743 Rb\n0.184660 0.300917 0.485576 Rb\n0.815340 0.699083 0.514424 Rb\n0.116257 0.815340 0.300917 Rb\n0.883743 0.184660 0.699083 Rb\n0.485576 0.184660 0.300917 Rb\n0.514424 0.815340 0.699083 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"Pd"
],
"chemical_system": "Pd-Rb",
"density": 2.802619154737095,
"density_atomic": 0.018607142816402255,
"volume": 859.8848387349374,
"volume_molar": 32.36467210157308,
"formula_full": "Rb12 Pd4",
"formula_reduced": "Rb3Pd",
"formula_anonymous": "AB3",
"energy": -29.40311673,
"energy_per_atom": -1.837694795625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.40311673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.953389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.164000Z",
"spacegroup": 204
},
{
"id": "mp-1183742",
"created_at": "2022-09-04T14:42:04.410247Z",
"structure_string": "Ce6 Ga2\n1.0\n6.742062 0.000000 0.000000\n-3.371030 5.838796 0.000000\n0.000000 0.000000 5.081812\nCe Ga\n6 2\ndirect\n0.179817 0.359635 0.250000 Ce\n0.640366 0.820184 0.250000 Ce\n0.179818 0.820184 0.250000 Ce\n0.820183 0.640366 0.750001 Ce\n0.359635 0.179817 0.750001 Ce\n0.820183 0.179817 0.750001 Ce\n0.333333 0.666666 0.750001 Ga\n0.666666 0.333334 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Ga"
],
"chemical_system": "Ce-Ga",
"density": 8.135859850382435,
"density_atomic": 0.03999036322456728,
"volume": 200.04819548839106,
"volume_molar": 15.0589799001886,
"formula_full": "Ce6 Ga2",
"formula_reduced": "Ce3Ga",
"formula_anonymous": "AB3",
"energy": -43.65470743,
"energy_per_atom": -5.45683842875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.65470743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8839819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.332000Z",
"spacegroup": 194
},
{
"id": "mp-1001788",
"created_at": "2022-09-04T14:42:02.035472Z",
"structure_string": "Zr1 B6\n1.0\n4.058774 0.000000 0.000000\n0.000000 4.058774 0.000000\n0.000000 0.000000 4.058774\nZr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.197614 0.500000 0.500000 B\n0.500000 0.500000 0.802386 B\n0.500000 0.500000 0.197614 B\n0.500000 0.197614 0.500000 B\n0.500000 0.802386 0.500000 B\n0.802386 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 3.876498042977305,
"density_atomic": 0.10469198420859076,
"volume": 66.86280762482289,
"volume_molar": 5.7522462732212105,
"formula_full": "Zr1 B6",
"formula_reduced": "ZrB6",
"formula_anonymous": "AB6",
"energy": -48.77019037,
"energy_per_atom": -6.967170052857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.77019037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.670000Z",
"spacegroup": 221
},
{
"id": "mp-1007730",
"created_at": "2022-09-04T14:42:02.055828Z",
"structure_string": "Hf1 Al3\n1.0\n4.093601 0.000000 0.000000\n0.000000 4.093601 0.000000\n0.000000 0.000000 4.093601\nHf Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 6.280012235545494,
"density_atomic": 0.058310056356090496,
"volume": 68.59880181855114,
"volume_molar": 10.327791012966474,
"formula_full": "Hf1 Al3",
"formula_reduced": "HfAl3",
"formula_anonymous": "AB3",
"energy": -22.68221549,
"energy_per_atom": -5.6705538725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.68221549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.519000Z",
"spacegroup": 221
},
{
"id": "mp-1594",
"created_at": "2022-09-04T14:42:02.130436Z",
"structure_string": "Ni4 Ge2\n1.0\n2.004410 -3.471741 0.000000\n2.004410 3.471741 0.000000\n0.000000 0.000000 5.093227\nNi Ge\n4 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni",
"density": 8.903013680145172,
"density_atomic": 0.08464364224714847,
"volume": 70.88541845211218,
"volume_molar": 7.1146994625020135,
"formula_full": "Ni4 Ge2",
"formula_reduced": "Ni2Ge",
"formula_anonymous": "AB2",
"energy": -34.01517807,
"energy_per_atom": -5.669196345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.01517807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001969,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.115000Z",
"spacegroup": 194
},
{
"id": "mp-1209057",
"created_at": "2022-09-04T14:42:06.327223Z",
"structure_string": "Sc8 Au4\n1.0\n0.000000 -4.681450 0.000000\n-6.615754 0.000000 0.000000\n0.000000 0.000000 -8.392284\nSc Au\n8 4\ndirect\n0.750000 0.847111 0.924086 Sc\n0.250000 0.152889 0.075914 Sc\n0.250000 0.652889 0.424086 Sc\n0.750000 0.347111 0.575914 Sc\n0.750000 0.982163 0.316334 Sc\n0.250000 0.017837 0.683666 Sc\n0.250000 0.517837 0.816334 Sc\n0.750000 0.482163 0.183666 Sc\n0.750000 0.757521 0.601115 Au\n0.250000 0.242479 0.398885 Au\n0.250000 0.742479 0.101115 Au\n0.750000 0.257521 0.898885 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sc",
"Au"
],
"chemical_system": "Au-Sc",
"density": 7.3310641312966665,
"density_atomic": 0.046168029253962496,
"volume": 259.92012641453755,
"volume_molar": 13.043963230211162,
"formula_full": "Sc8 Au4",
"formula_reduced": "Sc2Au",
"formula_anonymous": "AB2",
"energy": -71.5624833,
"energy_per_atom": -5.963540275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.5624833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011737,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.994000Z",
"spacegroup": 62
},
{
"id": "mp-1074729",
"created_at": "2022-09-04T14:42:01.190390Z",
"structure_string": "Mg8 Si4\n1.0\n5.202925 0.000000 0.000000\n0.311217 5.498370 0.000000\n1.250706 1.223406 8.278819\nMg Si\n8 4\ndirect\n0.719032 0.552610 0.610663 Mg\n0.335295 0.763345 0.992044 Mg\n0.815692 0.681306 0.221049 Mg\n0.210956 0.871939 0.610806 Mg\n0.184308 0.318694 0.778951 Mg\n0.789044 0.128061 0.389194 Mg\n0.280968 0.447390 0.389337 Mg\n0.664705 0.236655 0.007956 Mg\n0.863656 0.722314 0.891193 Si\n0.136344 0.277686 0.108807 Si\n0.341741 0.958244 0.283862 Si\n0.658259 0.041756 0.716138 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.150943770187022,
"density_atomic": 0.050667716445114974,
"volume": 236.83719815947924,
"volume_molar": 11.885557871003307,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -34.31778228,
"energy_per_atom": -2.8598151900000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.60178228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.002000Z",
"spacegroup": 2
},
{
"id": "mp-30885",
"created_at": "2022-09-04T14:42:02.253024Z",
"structure_string": "Y1 Zn5\n1.0\n2.657980 -4.603756 0.000000\n2.657980 4.603756 0.000000\n0.000000 0.000000 4.228259\nY Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.674758073577587,
"density_atomic": 0.05798233037185282,
"volume": 103.47980085520442,
"volume_molar": 10.386165442780156,
"formula_full": "Y1 Zn5",
"formula_reduced": "YZn5",
"formula_anonymous": "AB5",
"energy": -14.53925147,
"energy_per_atom": -2.4232085783333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.53925147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011563,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.050000Z",
"spacegroup": 191
},
{
"id": "mp-1181781",
"created_at": "2022-09-04T14:42:01.191515Z",
"structure_string": "Co1 O2\n1.0\n3.404775 4.549181 0.000000\n-3.404775 4.549181 0.000000\n0.000000 0.767147 4.296331\nCo O\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.824320 0.824320 0.048777 O\n0.175680 0.175680 0.951223 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 1.1345312271810015,
"density_atomic": 0.022540933196485886,
"volume": 133.0912067326342,
"volume_molar": 26.71646602873943,
"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -16.31682229,
"energy_per_atom": -5.438940763333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.30482229,
"band_gap": 0.9901999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.545000Z",
"spacegroup": 12
},
{
"id": "mp-976135",
"created_at": "2022-09-04T14:41:53.729858Z",
"structure_string": "Pr1 Er3\n1.0\n-2.528217 2.528217 5.022299\n2.528217 -2.528217 5.022299\n2.528217 2.528217 -5.022299\nPr Er\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Er"
],
"chemical_system": "Er-Pr",
"density": 8.311047688162756,
"density_atomic": 0.031150766746014566,
"volume": 128.40775421721395,
"volume_molar": 19.332239264288653,
"formula_full": "Pr1 Er3",
"formula_reduced": "PrEr3",
"formula_anonymous": "AB3",
"energy": -18.35490806,
"energy_per_atom": -4.588727015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.35490806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.072000Z",
"spacegroup": 139
}
]
}