HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12193",
"results": [
{
"id": "mp-30214",
"created_at": "2022-09-04T14:39:48.961027Z",
"structure_string": "Sb4 I4 F40\n1.0\n-4.193111 4.225290 10.673230\n4.193111 -4.225290 10.673230\n4.193111 4.225290 -10.673230\nSb I F\n4 4 40\ndirect\n0.663998 0.413998 0.250000 Sb\n0.836002 0.086002 0.750000 Sb\n0.336002 0.586002 0.750000 Sb\n0.163998 0.913998 0.250000 Sb\n0.600473 0.850473 0.750000 I\n0.899527 0.649527 0.250000 I\n0.399527 0.149527 0.250000 I\n0.100473 0.350473 0.750000 I\n0.610100 0.128574 0.568628 F\n0.889900 0.458528 0.518474 F\n0.440054 0.371426 0.981526 F\n0.059946 0.041472 0.931372 F\n0.389900 0.871426 0.431372 F\n0.110100 0.541472 0.481526 F\n0.559946 0.628574 0.018474 F\n0.940054 0.958528 0.068628 F\n0.163390 0.173914 0.746618 F\n0.336610 0.083228 0.010523 F\n0.572704 0.326086 0.489477 F\n0.927296 0.416772 0.753382 F\n0.836610 0.826086 0.253382 F\n0.663390 0.916772 0.989477 F\n0.427296 0.673914 0.510523 F\n0.072704 0.583228 0.246618 F\n0.922431 0.174492 0.441975 F\n0.577569 0.019544 0.252061 F\n0.267483 0.325508 0.247939 F\n0.232517 0.480456 0.058025 F\n0.077569 0.825508 0.558025 F\n0.422431 0.980456 0.747939 F\n0.732517 0.674492 0.752061 F\n0.767483 0.519544 0.941975 F\n0.253020 0.003020 0.250000 F\n0.246980 0.496980 0.750000 F\n0.746980 0.996980 0.750000 F\n0.753020 0.503020 0.250000 F\n0.075148 0.825148 0.250000 F\n0.424852 0.674852 0.750000 F\n0.924852 0.174852 0.750000 F\n0.575148 0.325148 0.250000 F\n0.207556 0.141716 0.520036 F\n0.292444 0.812480 0.934159 F\n0.378320 0.358284 0.565841 F\n0.121680 0.687520 0.979964 F\n0.792444 0.858284 0.479964 F\n0.707556 0.187520 0.065841 F\n0.621680 0.641716 0.434159 F\n0.878320 0.312480 0.020036 F\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Sb",
"I",
"F"
],
"chemical_system": "F-I-Sb",
"density": 3.851917694174583,
"density_atomic": 0.06345889372243733,
"volume": 756.3951588873745,
"volume_molar": 9.48982941042153,
"formula_full": "Sb4 I4 F40",
"formula_reduced": "SbIF10",
"formula_anonymous": "ABC10",
"energy": -208.37305952,
"energy_per_atom": -4.341105406666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.89305952,
"band_gap": 4.0684,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003275,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.073000Z",
"spacegroup": 73
},
{
"id": "mp-1222941",
"created_at": "2022-09-04T14:39:48.967036Z",
"structure_string": "La1 Ga1 Ni4\n1.0\n2.589925 -4.485882 0.000000\n2.589925 4.485882 0.000000\n0.000000 0.000000 3.879741\nLa Ga Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ni\n0.993603 0.496802 0.500000 Ni\n0.503198 0.496802 0.500000 Ni\n0.503198 0.006397 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ga",
"Ni"
],
"chemical_system": "Ga-La-Ni",
"density": 8.167310196603147,
"density_atomic": 0.06655542900581128,
"volume": 90.15042183074368,
"volume_molar": 9.048308830635257,
"formula_full": "La1 Ga1 Ni4",
"formula_reduced": "LaGaNi4",
"formula_anonymous": "ABC4",
"energy": -33.57404468,
"energy_per_atom": -5.595674113333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.57404468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.292000Z",
"spacegroup": 187
},
{
"id": "mp-1100542",
"created_at": "2022-09-04T14:39:48.972739Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.075281 0.000000 0.000000\n-1.491086 -6.331387 0.000000\n-0.926545 0.180447 -7.757416\nLi Mn O\n9 7 16\ndirect\n0.120814 0.123193 0.371289 Li\n0.622667 0.631406 0.878497 Li\n0.375092 0.876627 0.628819 Li\n0.868890 0.368661 0.125439 Li\n0.624908 0.123373 0.371181 Li\n0.131110 0.631339 0.874561 Li\n0.879186 0.876807 0.628711 Li\n0.377333 0.368594 0.121503 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.246062 0.750574 0.243933 Mn\n0.500000 0.500000 0.500000 Mn\n0.753938 0.249426 0.756067 Mn\n0.000000 0.500000 0.500000 Mn\n0.738266 0.750502 0.243454 Mn\n0.261734 0.249498 0.756546 Mn\n0.819758 0.044642 0.183341 O\n0.325738 0.548956 0.686286 O\n0.054445 0.794198 0.424682 O\n0.561058 0.307040 0.918718 O\n0.274046 0.040455 0.170510 O\n0.825496 0.547539 0.683512 O\n0.571994 0.801280 0.436320 O\n0.078762 0.296008 0.939610 O\n0.428006 0.198720 0.563680 O\n0.921238 0.703992 0.060390 O\n0.725954 0.959545 0.829490 O\n0.174504 0.452461 0.316488 O\n0.945555 0.205802 0.575318 O\n0.438942 0.692960 0.081282 O\n0.180242 0.955358 0.816659 O\n0.674262 0.451044 0.313714 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9123526696089175,
"density_atomic": 0.10724268195413598,
"volume": 298.3886584791427,
"volume_molar": 5.615432820465515,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.7213868,
"energy_per_atom": -7.1475433375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.0533868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0006317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.747000Z",
"spacegroup": 2
},
{
"id": "mp-1203006",
"created_at": "2022-09-04T14:39:48.977155Z",
"structure_string": "Lu6 Ge26 Ru8\n1.0\n8.979954 0.000000 0.000000\n0.000000 8.979954 0.000000\n0.000000 0.000000 8.979954\nLu Ge Ru\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Lu\n0.500000 0.250000 0.000000 Lu\n0.750000 0.000000 0.500000 Lu\n0.000000 0.500000 0.250000 Lu\n0.500000 0.750000 0.000000 Lu\n0.250000 0.000000 0.500000 Lu\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.808511 0.351271 0.500000 Ge\n0.648729 0.500000 0.808511 Ge\n0.500000 0.191489 0.648729 Ge\n0.191489 0.648729 0.500000 Ge\n0.351271 0.500000 0.191489 Ge\n0.500000 0.808511 0.351271 Ge\n0.808511 0.648729 0.500000 Ge\n0.648729 0.500000 0.191489 Ge\n0.191489 0.351271 0.500000 Ge\n0.351271 0.500000 0.808511 Ge\n0.500000 0.808511 0.648729 Ge\n0.500000 0.191489 0.351271 Ge\n0.308511 0.000000 0.851271 Ge\n0.148729 0.308511 0.000000 Ge\n0.000000 0.148729 0.691489 Ge\n0.691489 0.000000 0.148729 Ge\n0.851271 0.691489 0.000000 Ge\n0.000000 0.851271 0.308511 Ge\n0.308511 0.000000 0.148729 Ge\n0.148729 0.691489 0.000000 Ge\n0.691489 0.000000 0.851271 Ge\n0.851271 0.308511 0.000000 Ge\n0.000000 0.148729 0.308511 Ge\n0.000000 0.851271 0.691489 Ge\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Lu",
"Ge",
"Ru"
],
"chemical_system": "Ge-Lu-Ru",
"density": 8.592324817553937,
"density_atomic": 0.05523796307003072,
"volume": 724.1396636818048,
"volume_molar": 10.90217746147722,
"formula_full": "Lu6 Ge26 Ru8",
"formula_reduced": "Lu3Ge13Ru4",
"formula_anonymous": "A3B4C13",
"energy": -238.0316876,
"energy_per_atom": -5.95079219,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -238.0316876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054509,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.797000Z",
"spacegroup": 223
},
{
"id": "mp-1028049",
"created_at": "2022-09-04T14:39:48.979087Z",
"structure_string": "Sr1 Y1 Mg14\n1.0\n6.691695 0.000000 0.000000\n-3.345848 5.795177 0.000000\n0.000000 0.000000 10.546907\nSr Y Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Sr\n0.166667 0.333333 0.125000 Y\n0.172687 0.836343 0.125000 Mg\n0.174967 0.837483 0.625000 Mg\n0.663657 0.327313 0.125000 Mg\n0.662517 0.325033 0.625000 Mg\n0.663657 0.836343 0.125000 Mg\n0.662517 0.837483 0.625000 Mg\n0.339312 0.160688 0.370122 Mg\n0.339312 0.160688 0.879878 Mg\n0.339312 0.678624 0.370122 Mg\n0.339312 0.678624 0.879878 Mg\n0.821376 0.160688 0.370122 Mg\n0.821376 0.160688 0.879878 Mg\n0.833333 0.666667 0.375853 Mg\n0.833333 0.666667 0.874147 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Y",
"Mg"
],
"chemical_system": "Mg-Sr-Y",
"density": 2.098167498599843,
"density_atomic": 0.03911938540216033,
"volume": 409.0043807057463,
"volume_molar": 15.394262200416453,
"formula_full": "Sr1 Y1 Mg14",
"formula_reduced": "SrYMg14",
"formula_anonymous": "ABC14",
"energy": -30.08256503,
"energy_per_atom": -1.880160314375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.08256503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.248000Z",
"spacegroup": 187
},
{
"id": "mp-676501",
"created_at": "2022-09-04T14:39:48.980208Z",
"structure_string": "K6 Sn4 S6 Br2 O24\n1.0\n7.606706 0.000000 0.000000\n0.000000 10.424619 0.000000\n0.000000 5.116050 9.125056\nK Sn S Br O\n6 4 6 2 24\ndirect\n0.976167 0.326515 0.323758 K\n0.497945 0.333620 0.331114 K\n0.737319 0.008961 0.739651 K\n0.237319 0.991039 0.260349 K\n0.476167 0.673485 0.676242 K\n0.997945 0.666380 0.668886 K\n0.201275 0.719644 0.028415 Sn\n0.226221 0.228336 0.738706 Sn\n0.726221 0.771664 0.261294 Sn\n0.701275 0.280356 0.971585 Sn\n0.244520 0.588144 0.375580 S\n0.247289 0.387765 0.026048 S\n0.236488 0.043071 0.593225 S\n0.736488 0.956929 0.406775 S\n0.747289 0.612235 0.973952 S\n0.744520 0.411856 0.624420 S\n0.000457 0.000658 0.001365 Br\n0.500457 0.999342 0.998635 Br\n0.091956 0.633321 0.265575 O\n0.408522 0.629706 0.284565 O\n0.237022 0.424283 0.469421 O\n0.729618 0.336653 0.537556 O\n0.738620 0.510059 0.132667 O\n0.243002 0.474024 0.110050 O\n0.077298 0.101232 0.638602 O\n0.390520 0.096529 0.647112 O\n0.421106 0.306405 0.065491 O\n0.241484 0.113322 0.432091 O\n0.100908 0.282650 0.080523 O\n0.732764 0.118038 0.337215 O\n0.232764 0.881962 0.662785 O\n0.600908 0.717350 0.919477 O\n0.741484 0.886678 0.567909 O\n0.921106 0.693595 0.934509 O\n0.890520 0.903471 0.352888 O\n0.577298 0.898768 0.361398 O\n0.743002 0.525976 0.889950 O\n0.238620 0.489941 0.867333 O\n0.229618 0.663347 0.462444 O\n0.737022 0.575717 0.530579 O\n0.908522 0.370294 0.715435 O\n0.591956 0.366679 0.734425 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"K",
"Sn",
"S",
"Br",
"O"
],
"chemical_system": "Br-K-O-S-Sn",
"density": 3.3174844964979293,
"density_atomic": 0.0580439460359982,
"volume": 723.5896741746689,
"volume_molar": 10.375140167529507,
"formula_full": "K6 Sn4 S6 Br2 O24",
"formula_reduced": "K3Sn2S3BrO12",
"formula_anonymous": "AB2C3D3E12",
"energy": -254.53135244,
"energy_per_atom": -6.060270296190477,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.97535244,
"band_gap": 3.4126000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.076000Z",
"spacegroup": 4
},
{
"id": "mp-1187183",
"created_at": "2022-09-04T14:40:14.145441Z",
"structure_string": "Sr1 Li1 O3\n1.0\n3.909437 0.000000 0.000000\n0.000000 3.909437 0.000000\n0.000000 0.000000 3.909437\nSr Li O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Li\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": [
"Sr",
"Li",
"O"
],
"chemical_system": "Li-O-Sr",
"density": 3.961883403012005,
"density_atomic": 0.08368109366456626,
"volume": 59.75065311696792,
"volume_molar": 7.196536871446271,
"formula_full": "Sr1 Li1 O3",
"formula_reduced": "SrLiO3",
"formula_anonymous": "ABC3",
"energy": -26.91922204,
"energy_per_atom": -5.383844408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.85822204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.823000Z",
"spacegroup": 221
}
]
}