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=488",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=486",
"results": [
{
"id": "jvasp-113976",
"created_at": "2022-09-04T14:38:46.861401Z",
"updated_at": "2022-09-04T14:38:46.861416Z",
"structure_string": "B1 C1 N2\n1.0\n2.439354 0.000000 0.000000\n0.000000 2.439354 0.000000\n-0.000000 0.000000 3.973527\nB C N\n1 1 2\ndirect\n0.499999 0.499999 0.564399 B\n0.000000 0.000000 0.070573 C\n0.000000 0.000000 0.429365 N\n0.499999 0.499999 0.945664 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.5701540129496507,
"density_atomic": 0.16917421237130717,
"volume": 23.644265541019426,
"volume_molar": 3.5597273813709136,
"formula_full": "B1 C1 N2",
"formula_reduced": "BCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.464189770833333,
"spacegroup": 99
},
{
"id": "jvasp-113977",
"created_at": "2022-09-04T14:38:49.461099Z",
"updated_at": "2022-09-04T14:38:49.461127Z",
"structure_string": "B1 C1 N2\n1.0\n1.312367 0.757695 4.439640\n-1.312367 0.757695 4.439640\n0.000000 -1.515391 4.439640\nB C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 B\n0.500001 0.500001 0.499998 C\n0.403662 0.403662 0.403660 N\n0.596340 0.596340 0.596336 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.1868664188677185,
"density_atomic": 0.15101186514334214,
"volume": 26.487984875911277,
"volume_molar": 3.987859334287221,
"formula_full": "B1 C1 N2",
"formula_reduced": "BCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.328907270833334,
"spacegroup": 166
},
{
"id": "jvasp-25162",
"created_at": "2022-09-04T14:37:46.884701Z",
"updated_at": "2022-09-04T14:37:46.884717Z",
"structure_string": "Be1\n1.0\n2.041585 -0.000000 -0.721809\n-1.020792 1.768065 -0.721809\n0.000000 -0.000000 2.165428\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.9145627710479485,
"density_atomic": 0.12793534912067733,
"volume": 7.8164479705818595,
"volume_molar": 4.7071749922060295,
"formula_full": "Be1",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy_above_hull": 0.1078399999999999,
"spacegroup": 229
},
{
"id": "jvasp-14628",
"created_at": "2022-09-04T14:35:55.844233Z",
"updated_at": "2022-09-04T14:35:55.844260Z",
"structure_string": "Be1\n1.0\n2.041585 0.000000 -0.721809\n-1.020792 1.768065 -0.721809\n-0.000000 -0.000000 2.165428\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.9145627710479485,
"density_atomic": 0.12793534912067733,
"volume": 7.8164479705818595,
"volume_molar": 4.7071749922060295,
"formula_full": "Be1",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy_above_hull": 0.1078399999999999,
"spacegroup": 229
},
{
"id": "jvasp-834",
"created_at": "2022-09-04T14:37:48.292489Z",
"updated_at": "2022-09-04T14:37:48.292510Z",
"structure_string": "Be2\n1.0\n1.132437 -1.961439 0.000000\n1.132437 1.961439 0.000000\n0.000000 0.000000 3.565947\nBe\n2\ndirect\n0.333334 0.666668 0.750001 Be\n0.666668 0.333334 0.250000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8893625825290994,
"density_atomic": 0.12625141638949758,
"volume": 15.84140643483801,
"volume_molar": 4.769958969348213,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy_above_hull": 3.899999999834591e-06,
"spacegroup": 194
},
{
"id": "jvasp-25056",
"created_at": "2022-09-04T14:37:43.684141Z",
"updated_at": "2022-09-04T14:37:43.684170Z",
"structure_string": "Be4\n1.0\n3.565686 0.000000 0.000000\n0.000000 3.923567 0.000000\n0.000000 0.000000 2.264915\nBe\n4\ndirect\n0.749989 0.333321 0.249992 Be\n0.250012 0.666679 0.249992 Be\n0.249988 0.166679 0.750010 Be\n0.750013 0.833322 0.750010 Be\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8891348745810144,
"density_atomic": 0.12623620043717868,
"volume": 31.686631775570557,
"volume_molar": 4.770533919069366,
"formula_full": "Be4",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy_above_hull": 0.0002199999999996,
"spacegroup": 194
},
{
"id": "jvasp-14825",
"created_at": "2022-09-04T14:36:31.850738Z",
"updated_at": "2022-09-04T14:36:31.850756Z",
"structure_string": "Be2\n1.0\n1.132479 -1.961511 -0.000000\n1.132479 1.961511 0.000000\n-0.000000 0.000000 3.566129\nBe\n2\ndirect\n0.333334 0.666668 0.750000 Be\n0.666668 0.333334 0.250000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.889126745149344,
"density_atomic": 0.12623565721044586,
"volume": 15.843384065928579,
"volume_molar": 4.77055444798815,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy_above_hull": 9.999999999621425e-06,
"spacegroup": 194
},
{
"id": "jvasp-20170",
"created_at": "2022-09-04T14:37:35.447509Z",
"updated_at": "2022-09-04T14:37:35.447535Z",
"structure_string": "Be12 Cr1\n1.0\n3.823149 0.000000 1.560588\n1.911574 5.063251 0.780294\n-0.001938 0.000000 5.468042\nBe Cr\n12 1\ndirect\n0.709285 0.790714 0.790714 Be\n0.500000 0.000000 0.500000 Be\n-0.000001 0.500000 -0.000000 Be\n0.500000 0.500000 -0.000000 Be\n-0.000000 0.000000 0.500000 Be\n0.347229 0.652769 0.652769 Be\n-0.000001 0.347230 0.652769 Be\n-0.000001 0.652769 0.347230 Be\n0.652769 0.347230 0.347230 Be\n0.290714 0.209286 0.209286 Be\n0.499999 0.790714 0.209286 Be\n0.499999 0.209286 0.790714 Be\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Cr"
],
"chemical_system": "Be-Cr",
"density": 2.5119429190107234,
"density_atomic": 0.12279989710883714,
"volume": 105.86328088270419,
"volume_molar": 4.904027529162013,
"formula_full": "Be12 Cr1",
"formula_reduced": "Be12Cr",
"formula_anonymous": "AB12",
"energy_above_hull": 2.5335123538461537,
"spacegroup": 139
},
{
"id": "jvasp-112268",
"created_at": "2022-09-04T14:38:26.459643Z",
"updated_at": "2022-09-04T14:38:26.459678Z",
"structure_string": "Be12 Fe1\n1.0\n5.374786 0.005685 -0.761454\n-4.051900 3.531354 -0.761454\n-0.002126 -0.005685 5.428456\nBe Fe\n12 1\ndirect\n-0.000001 -0.000001 0.500000 Be\n0.500000 0.499999 0.500001 Be\n0.500001 0.000001 0.000001 Be\n-0.000000 0.499999 0.000000 Be\n-0.000001 0.344779 0.344780 Be\n-0.000002 0.655218 0.655221 Be\n0.655220 0.000000 0.655221 Be\n0.344780 0.000000 0.344780 Be\n0.499999 0.290012 0.790014 Be\n0.500000 0.709987 0.209988 Be\n0.709988 0.500000 0.209988 Be\n0.290012 0.499999 0.790014 Be\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Fe"
],
"chemical_system": "Be-Fe",
"density": 2.6409486598248297,
"density_atomic": 0.12607637461391225,
"volume": 103.11210200809089,
"volume_molar": 4.7765814796323225,
"formula_full": "Be12 Fe1",
"formula_reduced": "Be12Fe",
"formula_anonymous": "AB12",
"energy_above_hull": 2.3994399,
"spacegroup": 139
},
{
"id": "jvasp-20156",
"created_at": "2022-09-04T14:37:41.902498Z",
"updated_at": "2022-09-04T14:37:41.902529Z",
"structure_string": "Be12 Mo1\n1.0\n3.890098 -0.000013 1.601763\n1.945032 5.105875 0.800882\n0.000999 -0.000000 5.522185\nBe Mo\n12 1\ndirect\n0.500000 0.000000 0.499999 Be\n-0.000000 0.500000 -0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.350327 0.649660 0.649659 Be\n0.000000 0.350342 0.649657 Be\n0.000000 0.649657 0.350342 Be\n0.649673 0.350340 0.350339 Be\n0.288367 0.211620 0.211619 Be\n0.500000 0.788389 0.211610 Be\n0.500000 0.211611 0.788388 Be\n0.711633 0.788380 0.788379 Be\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Mo"
],
"chemical_system": "Be-Mo",
"density": 3.0899597953557345,
"density_atomic": 0.11853141753017785,
"volume": 109.67556341499272,
"volume_molar": 5.080628313979942,
"formula_full": "Be12 Mo1",
"formula_reduced": "Be12Mo",
"formula_anonymous": "AB12",
"energy_above_hull": 2.6414068538461537,
"spacegroup": 139
},
{
"id": "jvasp-86174",
"created_at": "2022-09-04T14:35:51.383913Z",
"updated_at": "2022-09-04T14:35:51.383939Z",
"structure_string": "Be12 Nb1\n1.0\n3.890871 -0.000000 1.588358\n1.945435 5.189069 0.794178\n-0.015759 -0.000000 5.598359\nBe Nb\n12 1\ndirect\n0.499999 0.782121 0.217880 Be\n0.352158 0.647840 0.647841 Be\n-0.000001 0.352160 0.647841 Be\n-0.000001 0.647840 0.352160 Be\n0.717878 0.782121 0.782121 Be\n0.500000 0.000000 0.500000 Be\n0.499999 0.217880 0.782121 Be\n0.647840 0.352160 0.352160 Be\n0.282120 0.217880 0.217880 Be\n0.499999 0.500000 0.000001 Be\n-0.000001 0.500000 0.000000 Be\n-0.000000 0.000000 0.500000 Be\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Nb"
],
"chemical_system": "Be-Nb",
"density": 2.9502778343051395,
"density_atomic": 0.11488082751863546,
"volume": 113.16074475430808,
"volume_molar": 5.242076410899038,
"formula_full": "Be12 Nb1",
"formula_reduced": "Be12Nb",
"formula_anonymous": "AB12",
"energy_above_hull": 2.5928955846153845,
"spacegroup": 139
},
{
"id": "jvasp-86776",
"created_at": "2022-09-04T14:36:07.752383Z",
"updated_at": "2022-09-04T14:36:07.752411Z",
"structure_string": "Be12 Nb1\n1.0\n3.890871 -0.000000 1.588358\n1.945435 5.189068 0.794178\n-0.015759 -0.000000 5.598359\nBe Nb\n12 1\ndirect\n0.499999 0.782121 0.217880 Be\n0.352158 0.647841 0.647841 Be\n-0.000001 0.352160 0.647841 Be\n-0.000001 0.647841 0.352160 Be\n0.717877 0.782121 0.782122 Be\n0.500000 0.000000 0.500000 Be\n0.499999 0.217879 0.782122 Be\n0.647840 0.352160 0.352160 Be\n0.282121 0.217879 0.217879 Be\n0.499999 0.500000 0.000001 Be\n-0.000001 0.500000 0.000000 Be\n-0.000000 0.000000 0.500000 Be\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Nb"
],
"chemical_system": "Be-Nb",
"density": 2.950278402861542,
"density_atomic": 0.11488084965764532,
"volume": 113.16072294678446,
"volume_molar": 5.242075400683831,
"formula_full": "Be12 Nb1",
"formula_reduced": "Be12Nb",
"formula_anonymous": "AB12",
"energy_above_hull": 2.5928955846153845,
"spacegroup": 139
}
]
}