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=-chemical_system&page=4149",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4147",
"results": [
{
"id": "jvasp-22972",
"created_at": "2022-09-04T14:37:31.963434Z",
"updated_at": "2022-09-04T14:37:31.963444Z",
"structure_string": "Na2 Mg8 As6 O24\n1.0\n6.525720 0.000000 -2.179196\n-0.727720 6.485017 -2.179196\n-0.018978 -0.021227 10.803575\nNa Mg As O\n2 8 6 24\ndirect\n0.250000 0.750000 0.499999 Na\n0.500000 0.500000 -0.000000 Na\n0.875000 0.881581 0.249999 Mg\n0.375000 0.368419 0.250000 Mg\n0.118419 0.625000 0.749999 Mg\n0.520699 0.020699 0.041398 Mg\n0.979301 0.479301 0.958601 Mg\n0.229301 0.229301 0.458601 Mg\n0.770699 0.770699 0.541398 Mg\n0.631581 0.125000 0.749999 Mg\n0.000000 0.000000 0.000000 As\n0.375000 0.781397 0.250000 As\n0.531397 0.625000 0.749999 As\n0.218603 0.125000 0.749999 As\n0.875000 0.468603 0.249999 As\n0.750000 0.250000 0.499999 As\n0.318058 0.105541 0.618134 O\n0.300076 0.512594 0.618134 O\n0.262594 0.550076 0.118134 O\n0.894459 0.699924 0.381865 O\n0.736474 0.085556 0.588637 O\n0.449924 0.144459 0.881865 O\n0.852164 0.503081 0.588637 O\n0.253081 0.102164 0.088638 O\n0.914444 0.147836 0.411362 O\n0.496919 0.263526 0.411362 O\n0.013526 0.746919 0.911362 O\n0.897836 0.164444 0.911361 O\n0.835556 0.986474 0.088637 O\n0.431941 0.737406 0.881865 O\n0.071793 0.892512 0.697300 O\n0.554788 0.875508 0.197300 O\n0.107488 0.374492 0.302699 O\n0.195212 0.928208 0.302699 O\n0.678207 0.445212 0.802698 O\n0.124492 0.357488 0.802699 O\n0.642511 0.321793 0.197300 O\n0.855541 0.568059 0.118134 O\n0.625508 0.804788 0.697300 O\n0.487406 0.681942 0.381865 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Na",
"Mg",
"As",
"O"
],
"chemical_system": "As-Mg-Na-O",
"density": 3.9056543130423242,
"density_atomic": 0.08760457855272576,
"volume": 456.597139793619,
"volume_molar": 6.874230616126428,
"formula_full": "Na2 Mg8 As6 O24",
"formula_reduced": "NaMg4(AsO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.8995811225,
"spacegroup": 122
},
{
"id": "jvasp-2487",
"created_at": "2022-09-04T14:36:54.530974Z",
"updated_at": "2022-09-04T14:36:54.530993Z",
"structure_string": "Na2 Mg2 As2\n1.0\n4.393241 0.000000 0.000000\n0.000000 4.393241 0.000000\n0.000000 0.000000 7.136672\nNa Mg As\n2 2 2\ndirect\n0.500000 0.000000 0.368048 Na\n0.000000 0.500000 0.631951 Na\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.781928 As\n0.000000 0.500000 0.218072 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Mg",
"As"
],
"chemical_system": "As-Mg-Na",
"density": 2.946745831422328,
"density_atomic": 0.04355975789031645,
"volume": 137.7418124110793,
"volume_molar": 13.825009714617243,
"formula_full": "Na2 Mg2 As2",
"formula_reduced": "NaMgAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-75754",
"created_at": "2022-09-04T14:36:19.585813Z",
"updated_at": "2022-09-04T14:36:19.585840Z",
"structure_string": "Mg1 Mo1 As1\n1.0\n0.000000 3.107766 3.107766\n3.107766 -0.000000 3.107766\n3.107766 3.107766 -0.000000\nMg Mo As\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Mo\n0.500001 0.500001 0.500001 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"As"
],
"chemical_system": "As-Mg-Mo",
"density": 5.39858153576422,
"density_atomic": 0.04997425469923268,
"volume": 60.03091027680825,
"volume_molar": 12.050486387928995,
"formula_full": "Mg1 Mo1 As1",
"formula_reduced": "MgMoAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5096089,
"spacegroup": 216
},
{
"id": "jvasp-75671",
"created_at": "2022-09-04T14:36:05.206979Z",
"updated_at": "2022-09-04T14:36:05.207003Z",
"structure_string": "Mg1 Mo2 As1\n1.0\n0.000000 3.169457 3.169457\n3.169457 0.000000 3.169457\n3.169457 3.169457 -0.000000\nMg Mo As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"As"
],
"chemical_system": "As-Mg-Mo",
"density": 7.591307111994877,
"density_atomic": 0.06281674135402039,
"volume": 63.677292291507776,
"volume_molar": 9.58684043487807,
"formula_full": "Mg1 Mo2 As1",
"formula_reduced": "MgMo2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.41248315,
"spacegroup": 216
},
{
"id": "jvasp-75512",
"created_at": "2022-09-04T14:35:45.927648Z",
"updated_at": "2022-09-04T14:35:45.927673Z",
"structure_string": "Mg1 Mn1 As1\n1.0\n0.000000 3.116169 3.116169\n3.116169 0.000000 3.116169\n3.116169 3.116169 0.000000\nMg Mn As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"As"
],
"chemical_system": "As-Mg-Mn",
"density": 4.230004997411665,
"density_atomic": 0.0495710651142867,
"volume": 60.51917571437013,
"volume_molar": 12.14849982770368,
"formula_full": "Mg1 Mn1 As1",
"formula_reduced": "MgMnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.800939347126437,
"spacegroup": 216
},
{
"id": "jvasp-99964",
"created_at": "2022-09-04T14:36:33.719753Z",
"updated_at": "2022-09-04T14:36:33.719787Z",
"structure_string": "Mg2 Mn1 As2\n1.0\n4.193833 -0.000000 0.000000\n-2.096916 3.631967 -0.000000\n0.000000 -0.000000 6.732336\nMg Mn As\n2 1 2\ndirect\n0.000000 0.000000 0.999271 Mg\n0.666666 0.333333 0.367574 Mg\n0.333332 0.666668 0.633944 Mn\n0.666666 0.333333 0.765871 As\n0.333332 0.666668 0.233341 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"As"
],
"chemical_system": "As-Mg-Mn",
"density": 4.103192511655878,
"density_atomic": 0.048758596373582055,
"volume": 102.54602002261605,
"volume_molar": 12.350931339079446,
"formula_full": "Mg2 Mn1 As2",
"formula_reduced": "Mg2MnAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.455641768275862,
"spacegroup": 156
},
{
"id": "jvasp-105814",
"created_at": "2022-09-04T14:36:03.751025Z",
"updated_at": "2022-09-04T14:36:03.751049Z",
"structure_string": "Mg3 As3\n1.0\n5.065665 0.006316 0.318944\n0.299889 5.056785 0.318944\n0.006693 0.006316 5.075692\nMg As\n3 3\ndirect\n0.137211 0.862788 0.499999 Mg\n0.499999 0.137212 0.862788 Mg\n0.862788 0.500000 0.137211 Mg\n0.000000 0.000000 0.000000 As\n0.363448 0.363448 0.363448 As\n0.636551 0.636552 0.636551 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 3.802703381426085,
"density_atomic": 0.04615781461702759,
"volume": 129.9888231230645,
"volume_molar": 13.046849834563954,
"formula_full": "Mg3 As3",
"formula_reduced": "MgAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.2635153999999999,
"spacegroup": 155
},
{
"id": "jvasp-8147",
"created_at": "2022-09-04T14:37:03.671445Z",
"updated_at": "2022-09-04T14:37:03.671469Z",
"structure_string": "Mg3 As2\n1.0\n2.137778 -3.702740 -0.000000\n2.137778 3.702740 0.000000\n-0.000000 -0.000000 6.763840\nMg As\n3 2\ndirect\n0.666668 0.333334 0.641343 Mg\n0.333334 0.666668 0.358657 Mg\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.231787 As\n0.333334 0.666668 0.768213 As\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 3.454408191709445,
"density_atomic": 0.046693976653071345,
"volume": 107.0801923157924,
"volume_molar": 12.897039814671444,
"formula_full": "Mg3 As2",
"formula_reduced": "Mg3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.30676013,
"spacegroup": 164
},
{
"id": "jvasp-20270",
"created_at": "2022-09-04T14:37:59.355450Z",
"updated_at": "2022-09-04T14:37:59.355474Z",
"structure_string": "Mg24 As16\n1.0\n10.140058 -0.000000 -3.585052\n-5.070028 8.781548 -3.585052\n0.000000 0.000000 10.755155\nMg As\n24 16\ndirect\n0.024415 0.492705 0.758841 Mg\n0.531710 0.524416 0.765576 Mg\n0.241160 0.975585 0.507295 Mg\n0.734425 0.258840 0.766137 Mg\n0.968290 0.733864 0.992706 Mg\n0.258840 0.766136 0.734425 Mg\n0.992705 0.968290 0.733865 Mg\n0.524415 0.765575 0.531711 Mg\n0.765575 0.531710 0.524416 Mg\n0.733864 0.992706 0.968291 Mg\n0.766136 0.734425 0.258841 Mg\n0.975585 0.507295 0.241160 Mg\n0.507295 0.241160 0.975585 Mg\n0.007295 0.031710 0.266136 Mg\n0.475585 0.234425 0.468290 Mg\n0.233864 0.265575 0.741160 Mg\n0.266136 0.007295 0.031710 Mg\n0.468290 0.475585 0.234425 Mg\n0.234425 0.468290 0.475585 Mg\n0.265575 0.741160 0.233864 Mg\n0.031710 0.266136 0.007295 Mg\n0.492705 0.758840 0.024416 Mg\n0.741160 0.233864 0.265575 Mg\n0.758840 0.024415 0.492706 Mg\n0.500000 0.000000 0.000000 As\n0.227894 0.977894 0.250000 As\n-0.000000 0.500000 0.000000 As\n0.250000 0.227894 0.977895 As\n0.272106 0.522106 0.750001 As\n0.522106 0.750000 0.272106 As\n0.977894 0.250000 0.227894 As\n0.772106 0.022106 0.750001 As\n0.750000 0.772106 0.022106 As\n0.727894 0.477894 0.250000 As\n0.477894 0.250000 0.727895 As\n0.022106 0.750000 0.772107 As\n0.250000 0.727894 0.477895 As\n-0.000000 -0.000000 0.500000 As\n0.750000 0.272106 0.522106 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 3.089901192943916,
"density_atomic": 0.041766857347632205,
"volume": 957.6971441033647,
"volume_molar": 14.418467518101165,
"formula_full": "Mg24 As16",
"formula_reduced": "Mg3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.30202013,
"spacegroup": 206
},
{
"id": "jvasp-22709",
"created_at": "2022-09-04T14:36:01.516782Z",
"updated_at": "2022-09-04T14:36:01.516812Z",
"structure_string": "Mg4 As16\n1.0\n5.455491 -0.000000 -0.000000\n0.000000 5.455491 -0.000000\n-0.000000 -0.000000 16.008590\nMg As\n4 16\ndirect\n0.806619 0.806619 0.500000 Mg\n0.693381 0.306619 0.750000 Mg\n0.306619 0.693381 0.250000 Mg\n0.193381 0.193381 0.000000 Mg\n0.473701 0.395418 0.125022 As\n0.604581 0.526299 0.374978 As\n0.938351 0.323960 0.296436 As\n0.061649 0.676040 0.796436 As\n0.323960 0.938351 0.703564 As\n0.823960 0.561649 0.046436 As\n0.176040 0.438351 0.546436 As\n0.438351 0.176040 0.453564 As\n0.526299 0.604581 0.625022 As\n0.676040 0.061649 0.203564 As\n0.026299 0.895418 0.124978 As\n0.973700 0.104581 0.624978 As\n0.895418 0.026299 0.875022 As\n0.395418 0.473701 0.874978 As\n0.561649 0.823960 0.953564 As\n0.104581 0.973700 0.375022 As\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 4.516705786976228,
"density_atomic": 0.041976790171092876,
"volume": 476.45377167911494,
"volume_molar": 14.346358393422658,
"formula_full": "Mg4 As16",
"formula_reduced": "MgAs4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.74444921,
"spacegroup": 92
},
{
"id": "jvasp-30485",
"created_at": "2022-09-04T14:38:37.189087Z",
"updated_at": "2022-09-04T14:38:37.189116Z",
"structure_string": "Mg4 As2\n1.0\n4.212965 0.000000 0.000000\n2.106482 8.549328 0.000000\n0.000000 0.000000 4.580782\nMg As\n4 2\ndirect\n0.990714 0.018577 0.000000 Mg\n0.792169 0.415660 0.000000 Mg\n0.318943 0.362118 0.500001 Mg\n0.120399 0.759201 0.500001 Mg\n0.393126 0.213749 0.000000 As\n0.717985 0.564029 0.500001 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 2.4865529110904125,
"density_atomic": 0.03636568694070761,
"volume": 164.9906960311981,
"volume_molar": 16.559953259837474,
"formula_full": "Mg4 As2",
"formula_reduced": "Mg2As",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0410266166666667,
"spacegroup": 63
},
{
"id": "jvasp-39318",
"created_at": "2022-09-04T14:37:47.179087Z",
"updated_at": "2022-09-04T14:37:47.179103Z",
"structure_string": "Mg1 As1\n1.0\n2.039970 -3.533330 -0.000000\n2.039970 3.533330 -0.000000\n-0.000000 0.000000 2.993774\nMg As\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.499999 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 3.8178619300499776,
"density_atomic": 0.04634181147585765,
"volume": 43.15757058918435,
"volume_molar": 12.995048247385215,
"formula_full": "Mg1 As1",
"formula_reduced": "MgAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.2662953999999999,
"spacegroup": 187
}
]
}