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=nelements&page=674",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=672",
"results": [
{
"id": "jvasp-38180",
"created_at": "2022-09-04T14:37:58.309637Z",
"updated_at": "2022-09-04T14:37:58.309667Z",
"structure_string": "Rb3 Y1\n1.0\n0.000000 5.016818 5.016818\n5.016818 -0.000000 5.016818\n5.016818 5.016818 -0.000000\nRb Y\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Y"
],
"chemical_system": "Rb-Y",
"density": 2.2706085875220476,
"density_atomic": 0.01583962726703437,
"volume": 252.53119486749856,
"volume_molar": 38.01946004457665,
"formula_full": "Rb3 Y1",
"formula_reduced": "Rb3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1701188624999999,
"spacegroup": 225
},
{
"id": "jvasp-38260",
"created_at": "2022-09-04T14:37:45.194248Z",
"updated_at": "2022-09-04T14:37:45.194269Z",
"structure_string": "Rb3 Ba1\n1.0\n-3.308862 3.308862 7.103403\n3.308862 -3.308862 7.103403\n3.308862 3.308862 -7.103403\nRb Ba\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ba"
],
"chemical_system": "Ba-Rb",
"density": 2.1016688641097927,
"density_atomic": 0.012858083333115567,
"volume": 311.08835557925903,
"volume_molar": 46.83544665238073,
"formula_full": "Rb3 Ba1",
"formula_reduced": "Rb3Ba",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-20131",
"created_at": "2022-09-04T14:37:42.419316Z",
"updated_at": "2022-09-04T14:37:42.419327Z",
"structure_string": "Ti5 O5\n1.0\n4.159835 -0.000000 0.000000\n-2.079917 4.455952 -1.394619\n0.000000 0.010686 5.840080\nTi O\n5 5\ndirect\n0.648158 0.296314 0.325778 Ti\n0.351842 0.703686 0.674222 Ti\n0.662081 0.324163 0.827388 Ti\n0.337919 0.675838 0.172612 Ti\n0.000000 0.000000 0.500000 Ti\n0.500001 0.000000 -0.000000 O\n0.827705 0.655409 0.169683 O\n0.172296 0.344592 0.830317 O\n0.827880 0.655761 0.654931 O\n0.172120 0.344240 0.345069 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.895617666604442,
"density_atomic": 0.09232428540084642,
"volume": 108.313862994799,
"volume_molar": 6.522813292140347,
"formula_full": "Ti5 O5",
"formula_reduced": "TiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.7085009166666669,
"spacegroup": 12
},
{
"id": "jvasp-19977",
"created_at": "2022-09-04T14:37:36.413870Z",
"updated_at": "2022-09-04T14:37:36.413890Z",
"structure_string": "Nd1 Mg3\n1.0\n4.523792 0.000000 2.611812\n1.507931 4.265072 2.611812\n0.000000 0.000000 5.223625\nNd Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Mg"
],
"chemical_system": "Mg-Nd",
"density": 3.577848474262242,
"density_atomic": 0.03968798083857192,
"volume": 100.786180487985,
"volume_molar": 15.173714139035281,
"formula_full": "Nd1 Mg3",
"formula_reduced": "NdMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59669",
"created_at": "2022-09-04T14:37:45.209073Z",
"updated_at": "2022-09-04T14:37:45.209097Z",
"structure_string": "Ge4 Pt6\n1.0\n3.561783 0.000000 0.000000\n-1.780892 6.142493 -0.000000\n0.000000 -0.000000 7.666665\nGe Pt\n4 6\ndirect\n0.500000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.756314 0.512628 0.750000 Ge\n0.243685 0.487371 0.250000 Ge\n0.965930 0.931862 0.750000 Pt\n0.034069 0.068138 0.250000 Pt\n0.160423 0.320848 0.940074 Pt\n0.839576 0.679152 0.059927 Pt\n0.839576 0.679152 0.440073 Pt\n0.160423 0.320848 0.559927 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt",
"density": 14.464376697511149,
"density_atomic": 0.05961854683174607,
"volume": 167.7330383147671,
"volume_molar": 10.101119668340006,
"formula_full": "Ge4 Pt6",
"formula_reduced": "Ge2Pt3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.94104522,
"spacegroup": 63
},
{
"id": "jvasp-41748",
"created_at": "2022-09-04T14:37:45.223265Z",
"updated_at": "2022-09-04T14:37:45.223285Z",
"structure_string": "Sc6 Tc2\n1.0\n3.099735 -5.368900 0.000000\n3.099735 5.368900 -0.000000\n0.000000 -0.000000 4.729043\nSc Tc\n6 2\ndirect\n0.172553 0.827448 0.750000 Sc\n0.654896 0.827449 0.750000 Sc\n0.172553 0.345105 0.750000 Sc\n0.827448 0.172553 0.250000 Sc\n0.345105 0.172553 0.250000 Sc\n0.827449 0.654896 0.250000 Sc\n0.333334 0.666668 0.250000 Tc\n0.666668 0.333334 0.750000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Tc"
],
"chemical_system": "Sc-Tc",
"density": 4.913322523851727,
"density_atomic": 0.0508249366896216,
"volume": 157.4030489964898,
"volume_molar": 11.848791463875477,
"formula_full": "Sc6 Tc2",
"formula_reduced": "Sc3Tc",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2869868124999995,
"spacegroup": 194
},
{
"id": "jvasp-37296",
"created_at": "2022-09-04T14:37:55.608896Z",
"updated_at": "2022-09-04T14:37:55.608906Z",
"structure_string": "Sm3 Zn1\n1.0\n-2.350231 2.350231 4.903788\n2.350231 -2.350231 4.903788\n2.350231 2.350231 -4.903788\nSm Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.915847070450722,
"density_atomic": 0.03691876908074459,
"volume": 108.3459741372105,
"volume_molar": 16.31186767584003,
"formula_full": "Sm3 Zn1",
"formula_reduced": "Sm3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1028477124999998,
"spacegroup": 139
},
{
"id": "jvasp-20212",
"created_at": "2022-09-04T14:37:34.537632Z",
"updated_at": "2022-09-04T14:37:34.537659Z",
"structure_string": "Ca2 Be26\n1.0\n6.269124 -0.000000 3.619480\n2.089708 5.910586 3.619480\n-0.000000 -0.000000 7.238961\nCa Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.935102 0.288301 0.711699 Be\n0.711699 0.064898 0.935103 Be\n0.064898 0.711700 0.288300 Be\n0.211699 0.435103 0.564897 Be\n0.435102 0.564898 0.211699 Be\n0.564897 0.211699 0.435103 Be\n0.211699 0.564898 0.788301 Be\n0.211699 0.788301 0.435102 Be\n0.788300 0.564898 0.435102 Be\n0.288301 0.711700 0.935102 Be\n0.288301 0.064898 0.711699 Be\n0.064898 0.935103 0.711699 Be\n0.000000 0.000000 0.000000 Be\n0.711699 0.288301 0.064898 Be\n0.935102 0.064898 0.288301 Be\n0.064898 0.288301 0.935102 Be\n0.788300 0.435103 0.211699 Be\n0.435102 0.788301 0.564897 Be\n0.435102 0.211699 0.788301 Be\n0.564897 0.788301 0.211699 Be\n0.788300 0.211699 0.564898 Be\n0.564897 0.435103 0.788301 Be\n0.288301 0.935103 0.064897 Be\n0.500000 0.500000 0.500000 Be\n0.935102 0.711700 0.064898 Be\n0.711699 0.935103 0.288301 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ca",
"Be"
],
"chemical_system": "Be-Ca",
"density": 1.9467870713699211,
"density_atomic": 0.10438651379557495,
"volume": 268.2338836876354,
"volume_molar": 5.769079300601459,
"formula_full": "Ca2 Be26",
"formula_reduced": "CaBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.0621692657142856,
"spacegroup": 226
},
{
"id": "jvasp-20377",
"created_at": "2022-09-04T14:37:42.247065Z",
"updated_at": "2022-09-04T14:37:42.247085Z",
"structure_string": "Th1 Tl3\n1.0\n4.822101 -0.000000 0.000000\n-0.000000 4.822101 0.000000\n0.000000 -0.000000 4.822101\nTh Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Tl"
],
"chemical_system": "Th-Tl",
"density": 12.516805150596232,
"density_atomic": 0.03567394050830185,
"volume": 112.12666565582069,
"volume_molar": 16.88106408822025,
"formula_full": "Th1 Tl3",
"formula_reduced": "ThTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3193533500000001,
"spacegroup": 221
},
{
"id": "jvasp-125",
"created_at": "2022-09-04T14:37:45.244301Z",
"updated_at": "2022-09-04T14:37:45.244314Z",
"structure_string": "Pt1 S2\n1.0\n1.795013 -3.109054 0.000000\n1.795013 3.109054 -0.000000\n0.000000 0.000000 5.105588\nPt S\n1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.666666 0.333332 0.241371 S\n0.333332 0.666666 0.758629 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pt",
"S"
],
"chemical_system": "Pt-S",
"density": 7.5532859450326075,
"density_atomic": 0.05264409080208088,
"volume": 56.98645288183832,
"volume_molar": 11.439348022251266,
"formula_full": "Pt1 S2",
"formula_reduced": "PtS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7617371333333336,
"spacegroup": 164
},
{
"id": "jvasp-42128",
"created_at": "2022-09-04T14:37:35.448891Z",
"updated_at": "2022-09-04T14:37:35.448919Z",
"structure_string": "Pm1 H3\n1.0\n-0.000000 2.684259 2.684259\n2.684259 -0.000000 2.684259\n2.684259 2.684259 -0.000000\nPm H\n1 3\ndirect\n0.750001 0.750001 0.750001 Pm\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"H"
],
"chemical_system": "H-Pm",
"density": 6.35444252236177,
"density_atomic": 0.10340861986730623,
"volume": 38.68149488053117,
"volume_molar": 5.823635174444452,
"formula_full": "Pm1 H3",
"formula_reduced": "PmH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.17758779375,
"spacegroup": 225
},
{
"id": "jvasp-37217",
"created_at": "2022-09-04T14:37:42.255376Z",
"updated_at": "2022-09-04T14:37:42.255386Z",
"structure_string": "Sm1 As3\n1.0\n4.421469 0.000000 -0.000000\n-0.000000 4.421469 -0.000000\n0.000000 0.000000 4.421469\nSm As\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"As"
],
"chemical_system": "As-Sm",
"density": 7.206512115507817,
"density_atomic": 0.04627647157770544,
"volume": 86.43701353253292,
"volume_molar": 13.013396559173453,
"formula_full": "Sm1 As3",
"formula_reduced": "SmAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.98146353125,
"spacegroup": 221
}
]
}