HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=832",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=830",
"results": [
{
"id": "jvasp-21687",
"created_at": "2022-09-04T14:38:34.238637Z",
"updated_at": "2022-09-04T14:38:34.238656Z",
"structure_string": "Ca2 Ga6 Ni4\n1.0\n5.182414 0.000000 0.000000\n0.000000 6.097272 -1.299989\n0.000000 0.013515 6.234301\nCa Ga Ni\n2 6 4\ndirect\n0.250000 0.345024 0.345024 Ca\n0.749999 0.654976 0.654976 Ca\n0.749999 0.464392 0.096602 Ga\n0.749999 0.096603 0.464392 Ga\n0.250000 0.535608 0.903397 Ga\n0.749999 0.046560 0.046560 Ga\n0.250000 0.953441 0.953440 Ga\n0.250000 0.903398 0.535608 Ga\n0.500000 0.787803 0.212196 Ni\n0.000000 0.787803 0.212196 Ni\n0.000000 0.212197 0.787803 Ni\n0.500000 0.212197 0.787803 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Ni"
],
"chemical_system": "Ca-Ga-Ni",
"density": 6.178107596001023,
"density_atomic": 0.06088707629203983,
"volume": 197.08615901415584,
"volume_molar": 9.890671595258244,
"formula_full": "Ca2 Ga6 Ni4",
"formula_reduced": "CaGa3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1132507874999999,
"spacegroup": 63
},
{
"id": "jvasp-20263",
"created_at": "2022-09-04T14:37:38.010172Z",
"updated_at": "2022-09-04T14:37:38.010195Z",
"structure_string": "Ca1 Ga4\n1.0\n4.099330 -0.000000 -1.535867\n-0.575432 4.058741 -1.535867\n-0.025922 -0.029857 6.169436\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ga\n0.250001 0.749999 0.500000 Ga\n0.384822 0.384821 0.769642 Ga\n0.615179 0.615178 0.230357 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.1789631115041175,
"density_atomic": 0.048889307551028986,
"volume": 102.27185146325034,
"volume_molar": 12.31790970595011,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.000142,
"spacegroup": 139
},
{
"id": "jvasp-14561",
"created_at": "2022-09-04T14:35:53.588792Z",
"updated_at": "2022-09-04T14:35:53.588820Z",
"structure_string": "Ca1 Ga4\n1.0\n4.107404 -0.003511 1.510653\n-0.514661 4.075034 1.510653\n0.020532 0.023267 6.123421\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.404772 0.404772 0.230682 Ga\n0.595227 0.595227 0.769317 Ga\n0.232526 0.767473 0.500000 Ga\n0.767472 0.232527 0.500000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.182977573128473,
"density_atomic": 0.04892720398797578,
"volume": 102.19263707014173,
"volume_molar": 12.30836890143975,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-20533",
"created_at": "2022-09-04T14:38:28.349262Z",
"updated_at": "2022-09-04T14:38:28.349295Z",
"structure_string": "Ca1 Ga4\n1.0\n4.099330 -0.000000 -1.535867\n-0.575432 4.058741 -1.535867\n-0.025922 -0.029857 6.169436\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ga\n0.250001 0.749999 0.500000 Ga\n0.384822 0.384821 0.769642 Ga\n0.615179 0.615178 0.230357 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.1789631115041175,
"density_atomic": 0.048889307551028986,
"volume": 102.27185146325034,
"volume_molar": 12.31790970595011,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.000142,
"spacegroup": 139
},
{
"id": "jvasp-92696",
"created_at": "2022-09-04T14:35:47.381501Z",
"updated_at": "2022-09-04T14:35:47.381525Z",
"structure_string": "Ca1 Ga2 As2\n1.0\n-2.013151 -3.486879 -0.000000\n2.013151 -3.486879 -0.000000\n0.000000 -2.324586 8.340351\nCa Ga As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.450960 0.450960 0.647121 Ga\n0.549041 0.549041 0.352879 Ga\n0.257440 0.257440 0.227678 As\n0.742560 0.742560 0.772322 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"As"
],
"chemical_system": "As-Ca-Ga",
"density": 4.6709142385794165,
"density_atomic": 0.04270143328226704,
"volume": 117.09208838374963,
"volume_molar": 14.102900762586025,
"formula_full": "Ca1 Ga2 As2",
"formula_reduced": "Ca(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5712897139999998,
"spacegroup": 166
},
{
"id": "jvasp-63137",
"created_at": "2022-09-04T14:35:48.758271Z",
"updated_at": "2022-09-04T14:35:48.758297Z",
"structure_string": "Ca1 Ga2 As2\n1.0\n8.421745 -2.012976 -0.000753\n8.421745 2.012976 -0.000753\n7.940909 0.000000 3.452510\nCa Ga As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.549026 0.549026 0.549028 Ga\n0.450973 0.450973 0.450974 Ga\n0.742565 0.742565 0.742567 As\n0.257434 0.257434 0.257434 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"As"
],
"chemical_system": "As-Ca-Ga",
"density": 4.671265121447622,
"density_atomic": 0.04270464104858885,
"volume": 117.08329299176306,
"volume_molar": 14.101841420814374,
"formula_full": "Ca1 Ga2 As2",
"formula_reduced": "Ca(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5712817139999999,
"spacegroup": 166
},
{
"id": "jvasp-21726",
"created_at": "2022-09-04T14:38:34.210007Z",
"updated_at": "2022-09-04T14:38:34.210031Z",
"structure_string": "Ca4 Ga4 Au4\n1.0\n4.561345 0.000000 0.000000\n-0.000000 7.257510 0.000000\n0.000000 0.000000 7.775772\nCa Ga Au\n4 4 4\ndirect\n0.750001 0.494267 0.796715 Ca\n0.250000 0.005733 0.296715 Ca\n0.750001 0.994267 0.703284 Ca\n0.250000 0.505733 0.203285 Ca\n0.250000 0.185285 0.919474 Ga\n0.750001 0.314715 0.419474 Ga\n0.250000 0.685285 0.580525 Ga\n0.750001 0.814715 0.080525 Ga\n0.250000 0.790383 0.908381 Au\n0.750001 0.209617 0.091619 Au\n0.250000 0.290383 0.591618 Au\n0.750001 0.709617 0.408381 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Au"
],
"chemical_system": "Au-Ca-Ga",
"density": 7.91579340962199,
"density_atomic": 0.04661837851213441,
"volume": 257.4092103370024,
"volume_molar": 12.917954146415628,
"formula_full": "Ca4 Ga4 Au4",
"formula_reduced": "CaGaAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-24911",
"created_at": "2022-09-04T14:37:43.825430Z",
"updated_at": "2022-09-04T14:37:43.825456Z",
"structure_string": "Ca4 Ga4 B4 O16\n1.0\n5.896721 0.000000 0.000000\n0.000000 7.354268 -3.942112\n0.000000 -0.004292 8.822984\nCa Ga B O\n4 4 4 16\ndirect\n0.899702 0.448096 0.180885 Ca\n0.399703 0.732789 0.180885 Ca\n0.899702 0.551904 0.819115 Ca\n0.399703 0.267212 0.819115 Ca\n0.627509 0.224748 0.411633 Ga\n0.127509 0.813116 0.588367 Ga\n0.127509 0.186885 0.411633 Ga\n0.627509 0.775252 0.588367 Ga\n0.358463 0.651821 0.784710 B\n0.858463 0.132889 0.784710 B\n0.358463 0.348180 0.215290 B\n0.858463 0.867111 0.215290 B\n0.166564 0.719166 0.742595 O\n0.666564 0.023429 0.742594 O\n0.882780 0.309549 0.543644 O\n0.075887 0.064156 0.729602 O\n0.666564 0.976572 0.257406 O\n0.575886 0.334553 0.270398 O\n0.382780 0.234095 0.543643 O\n0.323095 0.428798 0.113533 O\n0.075887 0.935844 0.270398 O\n0.323095 0.571203 0.886467 O\n0.823095 0.315267 0.886467 O\n0.882780 0.690451 0.456357 O\n0.823095 0.684734 0.113533 O\n0.166564 0.280834 0.257406 O\n0.382780 0.765906 0.456357 O\n0.575886 0.665448 0.729602 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ca-Ga-O",
"density": 3.205613112794988,
"density_atomic": 0.07319910435761258,
"volume": 382.5183415251453,
"volume_molar": 8.227068914093492,
"formula_full": "Ca4 Ga4 B4 O16",
"formula_reduced": "CaGaBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7777070469047624,
"spacegroup": 37
},
{
"id": "jvasp-106375",
"created_at": "2022-09-04T14:38:40.223907Z",
"updated_at": "2022-09-04T14:38:40.223940Z",
"structure_string": "Ca2 Ga2 Cu2\n1.0\n4.336700 0.008025 3.404636\n2.057073 3.817784 3.404636\n0.031441 0.018813 7.202522\nCa Ga Cu\n2 2 2\ndirect\n0.552723 0.552720 0.693335 Ca\n0.447278 0.447276 0.306667 Ca\n0.830493 0.830491 0.106847 Ga\n0.169507 0.169506 0.893155 Ga\n0.164349 0.164348 0.272130 Cu\n0.835652 0.835649 0.727872 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Cu"
],
"chemical_system": "Ca-Cu-Ga",
"density": 4.855087371766413,
"density_atomic": 0.050600274994628956,
"volume": 118.57643067427755,
"volume_molar": 11.901399272314684,
"formula_full": "Ca2 Ga2 Cu2",
"formula_reduced": "CaGaCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-89295",
"created_at": "2022-09-04T14:36:17.807390Z",
"updated_at": "2022-09-04T14:36:17.807412Z",
"structure_string": "Ca4 Ga4 Ge4\n1.0\n4.234726 -0.000000 -0.000000\n-2.117362 3.667380 0.000000\n0.000000 0.000000 17.280556\nCa Ga Ge\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333334 0.666667 0.154358 Ga\n0.666668 0.333333 0.654358 Ga\n0.666668 0.333333 0.845643 Ga\n0.333334 0.666667 0.345643 Ga\n0.333334 0.666667 0.609428 Ge\n0.666668 0.333333 0.109428 Ge\n0.666668 0.333333 0.390572 Ge\n0.333334 0.666667 0.890572 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Ge"
],
"chemical_system": "Ca-Ga-Ge",
"density": 4.515362205030043,
"density_atomic": 0.044713874826062,
"volume": 268.3730731608539,
"volume_molar": 13.468170189737002,
"formula_full": "Ca4 Ga4 Ge4",
"formula_reduced": "CaGaGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-35741",
"created_at": "2022-09-04T14:37:19.992227Z",
"updated_at": "2022-09-04T14:37:19.992257Z",
"structure_string": "Ca1 Ga1 Ge1 H1\n1.0\n2.067772 -3.581487 -0.000000\n2.067772 3.581487 0.000000\n-0.000000 -0.000000 4.771809\nCa Ga Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.001078 Ca\n0.666667 0.333332 0.565370 Ga\n0.333332 0.666667 0.422379 Ge\n0.666667 0.333332 0.932128 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"Ge",
"H"
],
"chemical_system": "Ca-Ga-Ge-H",
"density": 4.310078967804772,
"density_atomic": 0.05659537142009248,
"volume": 70.6771578599433,
"volume_molar": 10.640694828732975,
"formula_full": "Ca1 Ga1 Ge1 H1",
"formula_reduced": "CaGaGeH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.50147967375,
"spacegroup": 156
},
{
"id": "jvasp-117974",
"created_at": "2022-09-04T14:38:47.103061Z",
"updated_at": "2022-09-04T14:38:47.103090Z",
"structure_string": "Ca1 Ga1 H1\n1.0\n4.016158 0.131141 0.000000\n-0.153120 4.693865 0.000000\n0.000000 0.000000 3.569872\nCa Ga H\n1 1 1\ndirect\n0.417217 -0.162445 0.000000 Ca\n-0.082754 0.369516 0.000000 Ga\n-0.082790 0.005698 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"H"
],
"chemical_system": "Ca-Ga-H",
"density": 2.7312880626412563,
"density_atomic": 0.04453124768186797,
"volume": 67.36842455958238,
"volume_molar": 13.523404515908203,
"formula_full": "Ca1 Ga1 H1",
"formula_reduced": "CaGaH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4835942483333336,
"spacegroup": 25
}
]
}