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=elements&page=10188",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10186",
"results": [
{
"id": "mp-1110706",
"created_at": "2022-09-04T14:43:13.644466Z",
"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n0.000000 5.550356 5.550356\n5.550356 0.000000 5.550356\n5.550356 5.550356 0.000000\nRb Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.748172 0.251828 0.251828 Br\n0.251828 0.251828 0.748172 Br\n0.251828 0.748172 0.748172 Br\n0.251828 0.748172 0.251828 Br\n0.748172 0.251828 0.748172 Br\n0.748172 0.748172 0.251828 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"Br"
],
"chemical_system": "Br-Li-Rb-Y",
"density": 3.6233941716101143,
"density_atomic": 0.029242027776549558,
"volume": 341.973548360399,
"volume_molar": 20.5941284442299,
"formula_full": "Rb2 Li1 Y1 Br6",
"formula_reduced": "Rb2LiYBr6",
"formula_anonymous": "ABC2D6",
"energy": -41.32305466,
"energy_per_atom": -4.132305466,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.11905466,
"band_gap": 4.042,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.261000Z",
"spacegroup": 225
},
{
"id": "mp-1110679",
"created_at": "2022-09-04T14:48:17.262425Z",
"structure_string": "Rb2 Li1 Y1 Cl6\n1.0\n0.000000 5.240177 5.240177\n5.240177 0.000000 5.240177\n5.240177 5.240177 0.000000\nRb Li Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.748289 0.251711 0.251711 Cl\n0.251711 0.251711 0.748289 Cl\n0.251711 0.748289 0.748289 Cl\n0.251711 0.748289 0.251711 Cl\n0.748289 0.251711 0.748289 Cl\n0.748289 0.748289 0.251711 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Y",
"density": 2.7667521178940264,
"density_atomic": 0.034748185758207095,
"volume": 287.78480895619487,
"volume_molar": 17.330806281239145,
"formula_full": "Rb2 Li1 Y1 Cl6",
"formula_reduced": "Rb2LiYCl6",
"formula_anonymous": "ABC2D6",
"energy": -46.03856711,
"energy_per_atom": -4.603856711000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.35456710999999,
"band_gap": 4.9273,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:57.692000Z",
"spacegroup": 225
},
{
"id": "mp-1110649",
"created_at": "2022-09-04T14:42:55.993696Z",
"structure_string": "Rb2 Li1 Y1 F6\n1.0\n0.000000 4.356626 4.356626\n4.356626 0.000000 4.356626\n4.356626 4.356626 0.000000\nRb Li Y F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.748190 0.251810 0.251810 F\n0.251810 0.251810 0.748190 F\n0.251810 0.748190 0.748190 F\n0.251810 0.748190 0.251810 F\n0.748190 0.251810 0.748190 F\n0.748190 0.748190 0.251810 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"F"
],
"chemical_system": "F-Li-Rb-Y",
"density": 3.823263769762375,
"density_atomic": 0.060467103763058604,
"volume": 165.37917938297778,
"volume_molar": 9.959366970175822,
"formula_full": "Rb2 Li1 Y1 F6",
"formula_reduced": "Rb2LiYF6",
"formula_anonymous": "ABC2D6",
"energy": -57.7017989,
"energy_per_atom": -5.77017989,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.9297989,
"band_gap": 6.8909,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.571000Z",
"spacegroup": 225
},
{
"id": "mp-1110744",
"created_at": "2022-09-04T14:40:07.141263Z",
"structure_string": "Rb2 Li1 Y1 I6\n1.0\n0.000000 6.009888 6.009888\n6.009888 0.000000 6.009888\n6.009888 6.009888 0.000000\nRb Li Y I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.748584 0.251416 0.251416 I\n0.251416 0.251416 0.748584 I\n0.251416 0.748584 0.748584 I\n0.251416 0.748584 0.251416 I\n0.748584 0.251416 0.748584 I\n0.748584 0.748584 0.251416 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"I"
],
"chemical_system": "I-Li-Rb-Y",
"density": 3.9327965574498953,
"density_atomic": 0.023034079879080772,
"volume": 434.13932974513386,
"volume_molar": 26.144481531772513,
"formula_full": "Rb2 Li1 Y1 I6",
"formula_reduced": "Rb2LiYI6",
"formula_anonymous": "ABC2D6",
"energy": -35.72412901,
"energy_per_atom": -3.572412901,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.45012901,
"band_gap": 2.9884,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.091000Z",
"spacegroup": 225
},
{
"id": "mp-1205808",
"created_at": "2022-09-04T14:42:44.799903Z",
"structure_string": "Rb2 Li1 Yb1 Cl6\n1.0\n0.000000 5.231582 5.231582\n5.231582 0.000000 5.231582\n5.231582 5.231582 0.000000\nRb Li Yb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Yb\n0.743670 0.256330 0.256330 Cl\n0.256330 0.743670 0.743670 Cl\n0.256330 0.743670 0.256330 Cl\n0.743670 0.256330 0.743670 Cl\n0.256330 0.256330 0.743670 Cl\n0.743670 0.743670 0.256330 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Yb",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Yb",
"density": 3.2682678112101655,
"density_atomic": 0.0349197313424094,
"volume": 286.37104627019784,
"volume_molar": 17.245667502276046,
"formula_full": "Rb2 Li1 Yb1 Cl6",
"formula_reduced": "Rb2LiYbCl6",
"formula_anonymous": "ABC2D6",
"energy": -38.30192826,
"energy_per_atom": -3.8301928259999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.61792826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0061082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.743000Z",
"spacegroup": 225
},
{
"id": "mp-18422",
"created_at": "2022-09-04T14:41:28.654646Z",
"structure_string": "Rb4 Li4 Zn8 O12\n1.0\n10.498773 0.000000 0.000000\n0.000000 10.498773 0.000000\n0.000000 0.000000 3.474346\nRb Li Zn O\n4 4 8 12\ndirect\n0.390289 0.390289 0.000000 Rb\n0.890289 0.109711 0.500000 Rb\n0.109711 0.890289 0.500000 Rb\n0.609711 0.609711 0.000000 Rb\n0.798372 0.798372 0.500000 Li\n0.201628 0.201628 0.500000 Li\n0.298372 0.701628 0.000000 Li\n0.701628 0.298372 0.000000 Li\n0.328349 0.073102 0.000000 Zn\n0.671651 0.926898 0.000000 Zn\n0.426898 0.828349 0.500000 Zn\n0.573102 0.171651 0.500000 Zn\n0.073102 0.328349 0.000000 Zn\n0.828349 0.426898 0.500000 Zn\n0.171651 0.573102 0.500000 Zn\n0.926898 0.671651 0.000000 Zn\n0.386150 0.155300 0.500000 O\n0.844700 0.613850 0.500000 O\n0.155300 0.386150 0.500000 O\n0.886150 0.344700 0.000000 O\n0.858378 0.858378 0.000000 O\n0.358378 0.641622 0.500000 O\n0.641622 0.358378 0.500000 O\n0.141622 0.141622 0.000000 O\n0.613850 0.844700 0.500000 O\n0.655300 0.113850 0.000000 O\n0.344700 0.886150 0.000000 O\n0.113850 0.655300 0.000000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Zn",
"O"
],
"chemical_system": "Li-O-Rb-Zn",
"density": 4.704231101669746,
"density_atomic": 0.07311523388378878,
"volume": 382.95712825734665,
"volume_molar": 8.236506183611125,
"formula_full": "Rb4 Li4 Zn8 O12",
"formula_reduced": "RbLiZn2O3",
"formula_anonymous": "ABC2D3",
"energy": -131.27368393,
"energy_per_atom": -4.688345854642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.02968393,
"band_gap": 1.8032,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001224,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.557000Z",
"spacegroup": 136
},
{
"id": "mp-1219554",
"created_at": "2022-09-04T14:45:00.595396Z",
"structure_string": "Rb1 Li1 Zn1 S2\n1.0\n-2.012737 2.012737 6.880621\n2.012737 -2.012737 6.880621\n2.012737 2.012737 -6.880621\nRb Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Zn\n0.652860 0.652860 0.000000 S\n0.347140 0.347140 0.000000 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Zn",
"S"
],
"chemical_system": "Li-Rb-S-Zn",
"density": 3.3055083118256308,
"density_atomic": 0.044844410136174115,
"volume": 111.49661651958509,
"volume_molar": 13.428966378893653,
"formula_full": "Rb1 Li1 Zn1 S2",
"formula_reduced": "RbLiZnS2",
"formula_anonymous": "ABCD2",
"energy": -19.05950853,
"energy_per_atom": -3.8119017059999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.05350853,
"band_gap": 2.5255,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.881000Z",
"spacegroup": 119
},
{
"id": "mp-1111632",
"created_at": "2022-09-04T14:39:08.794222Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n0.000000 5.332740 5.332740\n5.332740 0.000000 5.332740\n5.332740 5.332740 0.000000\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.758070 0.241930 0.241930 Cl\n0.241930 0.241930 0.758070 Cl\n0.241930 0.758070 0.758070 Cl\n0.241930 0.758070 0.241930 Cl\n0.758070 0.241930 0.758070 Cl\n0.758070 0.758070 0.241930 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Lu-Rb",
"density": 3.6488896328522316,
"density_atomic": 0.03296998688400262,
"volume": 303.3061564501897,
"volume_molar": 18.265523675176244,
"formula_full": "Rb2 Lu1 Ag1 Cl6",
"formula_reduced": "Rb2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.234622650000006,
"energy_per_atom": -4.223462265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.55062265,
"band_gap": 3.681,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.771000Z",
"spacegroup": 225
},
{
"id": "mp-1113494",
"created_at": "2022-09-04T14:41:17.514001Z",
"structure_string": "Rb2 Lu1 Au1 Cl6\n1.0\n0.000000 5.338783 5.338783\n5.338783 0.000000 5.338783\n5.338783 5.338783 0.000000\nRb Lu Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Au\n0.758261 0.241739 0.241739 Cl\n0.241739 0.241739 0.758261 Cl\n0.241739 0.758261 0.758261 Cl\n0.241739 0.758261 0.241739 Cl\n0.758261 0.241739 0.758261 Cl\n0.758261 0.758261 0.241739 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Lu-Rb",
"density": 4.122653828608794,
"density_atomic": 0.03285815679225068,
"volume": 304.3384345392866,
"volume_molar": 18.327688914736296,
"formula_full": "Rb2 Lu1 Au1 Cl6",
"formula_reduced": "Rb2LuAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -41.26951832,
"energy_per_atom": -4.1269518320000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.58551832,
"band_gap": 2.0926,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.575000Z",
"spacegroup": 225
},
{
"id": "mp-1209222",
"created_at": "2022-09-04T14:45:00.683303Z",
"structure_string": "Rb2 Lu2 Be2 F12\n1.0\n0.000000 -5.780212 0.000000\n-5.941961 0.000000 2.635896\n-0.024654 0.000000 -7.091957\nRb Lu Be F\n2 2 2 12\ndirect\n0.750000 0.076202 0.208302 Rb\n0.250000 0.923798 0.791698 Rb\n0.750000 0.392342 0.821759 Lu\n0.250000 0.607658 0.178241 Lu\n0.750000 0.764532 0.535445 Be\n0.250000 0.235468 0.464555 Be\n0.969469 0.759250 0.401201 F\n0.030531 0.240750 0.598799 F\n0.469469 0.240750 0.598799 F\n0.530531 0.759250 0.401201 F\n0.750000 0.565861 0.601296 F\n0.250000 0.434139 0.398704 F\n0.999457 0.670379 0.967514 F\n0.000543 0.329621 0.032486 F\n0.499457 0.329621 0.032486 F\n0.500543 0.670379 0.967514 F\n0.750000 0.995244 0.733296 F\n0.250000 0.004756 0.266704 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Be",
"F"
],
"chemical_system": "Be-F-Lu-Rb",
"density": 5.21993009331963,
"density_atomic": 0.07378424306714361,
"volume": 243.95452540754553,
"volume_molar": 8.161824950240197,
"formula_full": "Rb2 Lu2 Be2 F12",
"formula_reduced": "RbLuBeF6",
"formula_anonymous": "ABCD6",
"energy": -111.6096235,
"energy_per_atom": -6.200534638888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.0656235,
"band_gap": 7.551,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.943000Z",
"spacegroup": 11
},
{
"id": "mp-1111035",
"created_at": "2022-09-04T14:42:07.054200Z",
"structure_string": "Rb2 Lu1 Cu1 Cl6\n1.0\n0.000000 5.160760 5.160760\n5.160760 0.000000 5.160760\n5.160760 5.160760 0.000000\nRb Lu Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cu\n0.749435 0.250565 0.250565 Cl\n0.250565 0.250565 0.749435 Cl\n0.250565 0.749435 0.749435 Cl\n0.250565 0.749435 0.250565 Cl\n0.749435 0.250565 0.749435 Cl\n0.749435 0.749435 0.250565 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Lu-Rb",
"density": 3.7582425609557952,
"density_atomic": 0.0363771789101505,
"volume": 274.8976226193739,
"volume_molar": 16.554721780032295,
"formula_full": "Rb2 Lu1 Cu1 Cl6",
"formula_reduced": "Rb2LuCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.04841748,
"energy_per_atom": -4.304841747999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.36441748,
"band_gap": 2.4367,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.712000Z",
"spacegroup": 225
},
{
"id": "mp-1209266",
"created_at": "2022-09-04T14:42:45.254127Z",
"structure_string": "Rb2 Lu2 Mo4 O16\n1.0\n5.178774 5.365818 0.000000\n-5.178774 5.365818 0.000000\n0.000000 5.020103 5.808692\nRb Lu Mo O\n2 2 4 16\ndirect\n0.197764 0.802236 0.750000 Rb\n0.802236 0.197764 0.250000 Rb\n0.771553 0.228447 0.750000 Lu\n0.228447 0.771553 0.250000 Lu\n0.697470 0.696705 0.764155 Mo\n0.302530 0.303296 0.235845 Mo\n0.303295 0.302530 0.735845 Mo\n0.696705 0.697470 0.264155 Mo\n0.614689 0.766440 0.560571 O\n0.385311 0.233560 0.439429 O\n0.233560 0.385311 0.939429 O\n0.766440 0.614689 0.060571 O\n0.380422 0.063313 0.880842 O\n0.619578 0.936687 0.119158 O\n0.936687 0.619578 0.619158 O\n0.063313 0.380422 0.380842 O\n0.588145 0.366423 0.965850 O\n0.411855 0.633577 0.034150 O\n0.633577 0.411855 0.534150 O\n0.366423 0.588145 0.465850 O\n0.791392 0.956297 0.694214 O\n0.208608 0.043703 0.305786 O\n0.043703 0.208608 0.805786 O\n0.956297 0.791392 0.194214 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Lu",
"Mo",
"O"
],
"chemical_system": "Lu-Mo-O-Rb",
"density": 5.969911676614261,
"density_atomic": 0.07434298589463453,
"volume": 322.8280342951913,
"volume_molar": 8.10048276583229,
"formula_full": "Rb2 Lu2 Mo4 O16",
"formula_reduced": "RbLu(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -194.11531893,
"energy_per_atom": -8.08813828875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.31531893,
"band_gap": 3.0489000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0250765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.345000Z",
"spacegroup": 15
}
]
}