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=density&page=886",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=884",
"results": [
{
"id": "jvasp-93756",
"created_at": "2022-09-04T14:36:22.274047Z",
"updated_at": "2022-09-04T14:36:22.274065Z",
"structure_string": "Cd2 B4\n1.0\n5.019594 0.000000 -0.000000\n-0.000000 5.019594 0.000000\n0.000000 -0.000000 5.019594\nCd B\n2 4\ndirect\n0.749999 0.749999 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"B"
],
"chemical_system": "B-Cd",
"density": 3.519533124047743,
"density_atomic": 0.047440086896113565,
"volume": 126.47531639516322,
"volume_molar": 12.694202633286812,
"formula_full": "Cd2 B4",
"formula_reduced": "CdB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.904301638888889,
"spacegroup": 224
},
{
"id": "jvasp-56677",
"created_at": "2022-09-04T14:38:31.035707Z",
"updated_at": "2022-09-04T14:38:31.035717Z",
"structure_string": "Na8 Mn8 O12\n1.0\n6.378173 -0.000000 0.000000\n-0.000000 6.378173 -0.000000\n0.000000 -0.000000 9.456884\nNa Mn O\n8 8 12\ndirect\n0.523992 0.735293 0.362011 Na\n0.476008 0.264706 0.862010 Na\n0.235293 0.976007 0.612011 Na\n0.764706 0.023992 0.112011 Na\n0.023992 0.764706 0.887989 Na\n0.976007 0.235293 0.387989 Na\n0.264706 0.476008 0.137989 Na\n0.735293 0.523992 0.637989 Na\n0.240357 0.460074 0.616312 Mn\n0.039926 0.740357 0.366312 Mn\n0.259643 0.960074 0.133687 Mn\n0.539925 0.759642 0.883687 Mn\n0.960074 0.259643 0.866312 Mn\n0.740357 0.039926 0.633687 Mn\n0.460074 0.240357 0.383687 Mn\n0.759642 0.539925 0.116312 Mn\n0.755618 0.505991 0.895954 O\n0.185847 0.185847 0.000000 O\n0.685846 0.314153 0.250000 O\n0.814153 0.814153 0.500000 O\n0.744381 0.005991 0.854045 O\n0.255619 0.994009 0.354045 O\n0.314153 0.685846 0.750000 O\n0.244381 0.494009 0.395954 O\n0.994009 0.255619 0.645954 O\n0.505991 0.755618 0.104046 O\n0.494009 0.244381 0.604045 O\n0.005991 0.744381 0.145954 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.5195513802836054,
"density_atomic": 0.0727808929899224,
"volume": 384.71635685861975,
"volume_molar": 8.274343048846427,
"formula_full": "Na8 Mn8 O12",
"formula_reduced": "Na2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.124118997536945,
"spacegroup": 96
},
{
"id": "jvasp-42554",
"created_at": "2022-09-04T14:35:52.932982Z",
"updated_at": "2022-09-04T14:35:52.932991Z",
"structure_string": "V4 O7 F5\n1.0\n0.000000 5.349070 0.051614\n5.173452 0.000000 0.000000\n0.000000 -0.338618 -7.006175\nV O F\n4 7 5\ndirect\n0.462997 0.465157 0.745329 V\n0.537002 0.465157 0.254671 V\n0.948633 0.981963 0.744176 V\n0.051367 0.981963 0.255824 V\n-0.000000 0.085604 0.500000 O\n0.307208 0.208431 0.802371 O\n0.692791 0.208431 0.197629 O\n0.500000 0.409373 0.500000 O\n0.305840 0.811108 0.298101 O\n0.694159 0.811108 0.701899 O\n0.000000 0.931678 0.000000 O\n0.203372 0.313456 0.197612 F\n0.796628 0.313456 0.802388 F\n0.500000 0.620455 0.000000 F\n0.185445 0.696329 0.700035 F\n0.814555 0.696329 0.299965 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.5196023704199857,
"density_atomic": 0.08256250854150961,
"volume": 193.79256132892021,
"volume_molar": 7.294038016023063,
"formula_full": "V4 O7 F5",
"formula_reduced": "V4O7F5",
"formula_anonymous": "A4B5C7",
"energy_above_hull": 2.45624391953125,
"spacegroup": 3
},
{
"id": "jvasp-106785",
"created_at": "2022-09-04T14:36:50.982719Z",
"updated_at": "2022-09-04T14:36:50.982742Z",
"structure_string": "Li2 In1 Si1\n1.0\n4.080540 0.000000 2.355901\n1.360180 3.847170 2.355901\n0.000000 0.000000 4.711801\nLi In Si\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Si"
],
"chemical_system": "In-Li-Si",
"density": 3.519727455463414,
"density_atomic": 0.05407717979267802,
"volume": 73.96835440263833,
"volume_molar": 11.136196049956343,
"formula_full": "Li2 In1 Si1",
"formula_reduced": "Li2InSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9866571425,
"spacegroup": 216
},
{
"id": "jvasp-111103",
"created_at": "2022-09-04T14:38:37.390098Z",
"updated_at": "2022-09-04T14:38:37.390106Z",
"structure_string": "Ca2 Cu1 C1 O5\n1.0\n3.531781 0.000000 0.000000\n0.000000 4.426466 0.000000\n-0.000000 0.000000 7.113193\nCa Cu C O\n2 1 1 5\ndirect\n0.500000 0.524856 0.721449 Ca\n0.500000 0.524856 0.278551 Ca\n-0.000000 0.012432 0.500000 Cu\n-0.000000 0.001358 -0.000000 C\n-0.000000 0.460613 0.500000 O\n0.500000 0.935676 0.500000 O\n-0.000000 0.856271 0.841685 O\n-0.000000 0.856271 0.158314 O\n-0.000000 0.295672 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"C",
"O"
],
"chemical_system": "C-Ca-Cu-O",
"density": 3.519743872804397,
"density_atomic": 0.08093325706854904,
"volume": 111.20274070246747,
"volume_molar": 7.440872860089337,
"formula_full": "Ca2 Cu1 C1 O5",
"formula_reduced": "Ca2CuCO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.9741209766666667,
"spacegroup": 25
},
{
"id": "jvasp-118032",
"created_at": "2022-09-04T14:38:30.793945Z",
"updated_at": "2022-09-04T14:38:30.793973Z",
"structure_string": "Ni1 H1 Cl2\n1.0\n3.684287 0.000000 -0.000000\n0.000000 3.684287 0.000000\n0.000000 0.000000 4.539368\nNi H Cl\n1 1 2\ndirect\n0.500000 0.500000 0.550025 Ni\n0.000000 0.000000 0.850320 H\n0.000000 0.000000 0.560518 Cl\n0.500000 0.500000 0.049137 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"H",
"Cl"
],
"chemical_system": "Cl-H-Ni",
"density": 3.5197707900949844,
"density_atomic": 0.0649168879734125,
"volume": 61.61724822111388,
"volume_molar": 9.276693550785186,
"formula_full": "Ni1 H1 Cl2",
"formula_reduced": "NiHCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92968013375,
"spacegroup": 99
},
{
"id": "jvasp-55316",
"created_at": "2022-09-04T14:36:43.987342Z",
"updated_at": "2022-09-04T14:36:43.987355Z",
"structure_string": "Na8 Mn4 O10\n1.0\n5.451119 0.027726 -0.805337\n-2.662488 4.756745 -0.805337\n-0.013393 -0.022978 10.234015\nNa Mn O\n8 4 10\ndirect\n0.537552 0.787451 0.071191 Na\n0.716259 0.966362 0.428808 Na\n0.787451 0.537553 0.571191 Na\n0.283742 0.033640 0.571191 Na\n0.462449 0.212550 0.928808 Na\n0.033640 0.283742 0.071191 Na\n0.212551 0.462449 0.428808 Na\n0.966361 0.716260 0.928808 Na\n0.652394 0.347608 0.250000 Mn\n0.902394 0.097608 0.750000 Mn\n0.347607 0.652394 0.750000 Mn\n0.097607 0.902394 0.250000 Mn\n0.940570 0.690571 0.381140 O\n0.875001 0.125001 0.250000 O\n0.309431 0.059431 0.118860 O\n0.059431 0.309431 0.618860 O\n0.191564 0.441564 0.883126 O\n0.558438 0.808438 0.616873 O\n0.808437 0.558438 0.116873 O\n0.441564 0.191564 0.383126 O\n0.690570 0.940571 0.881139 O\n0.125000 0.875001 0.749999 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.519830941208955,
"density_atomic": 0.08273224935118857,
"volume": 265.9180691028067,
"volume_molar": 7.27907292165686,
"formula_full": "Na8 Mn4 O10",
"formula_reduced": "Na4Mn2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.7867570893416929,
"spacegroup": 70
},
{
"id": "jvasp-11048",
"created_at": "2022-09-04T14:37:28.232872Z",
"updated_at": "2022-09-04T14:37:28.232898Z",
"structure_string": "Ti4 Zn1 S8\n1.0\n6.963072 0.039113 0.027656\n3.515408 6.088865 0.000000\n3.515408 2.029622 5.740638\nTi Zn S\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Ti\n0.500000 0.499999 0.000000 Ti\n0.500000 0.499999 0.500001 Ti\n0.500000 -0.000001 0.500001 Ti\n0.500000 -0.000000 0.000000 Zn\n0.251190 0.252204 0.252205 S\n0.251190 0.252204 0.744402 S\n0.251190 0.744401 0.252205 S\n0.742099 0.252633 0.252634 S\n0.257902 0.747365 0.747367 S\n0.748811 0.747794 0.255599 S\n0.748811 0.255597 0.747796 S\n0.748811 0.747794 0.747796 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"S"
],
"chemical_system": "S-Ti-Zn",
"density": 3.5198393864882904,
"density_atomic": 0.053673976900828556,
"volume": 242.2030330269662,
"volume_molar": 11.219851979902458,
"formula_full": "Ti4 Zn1 S8",
"formula_reduced": "Ti4ZnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.6296825948717952,
"spacegroup": 166
},
{
"id": "jvasp-104498",
"created_at": "2022-09-04T14:36:55.685748Z",
"updated_at": "2022-09-04T14:36:55.685768Z",
"structure_string": "Na1 Ca1 Sb1\n1.0\n4.310521 -0.000000 2.488681\n1.436840 4.063999 2.488681\n-0.000000 -0.000000 4.977361\nNa Ca Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Sb"
],
"chemical_system": "Ca-Na-Sb",
"density": 3.5199283333488056,
"density_atomic": 0.034406362169125425,
"volume": 87.19317622867007,
"volume_molar": 17.50298601868457,
"formula_full": "Na1 Ca1 Sb1",
"formula_reduced": "NaCaSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-46722",
"created_at": "2022-09-04T14:38:31.122041Z",
"updated_at": "2022-09-04T14:38:31.122058Z",
"structure_string": "Li2 V4 P4 O16\n1.0\n0.000000 4.749440 0.013420\n10.156274 0.000000 0.000000\n0.000000 -0.110817 -5.843633\nLi V P O\n2 4 4 16\ndirect\n0.750008 0.748309 0.250016 Li\n0.249992 0.248309 0.749984 Li\n0.275660 0.975635 0.002708 V\n0.224335 0.520994 0.497290 V\n0.724340 0.475635 0.997292 V\n0.775664 0.020994 0.502709 V\n0.837737 0.156737 0.003931 P\n0.662273 0.339892 0.496078 P\n0.337727 0.839892 0.503922 P\n0.162263 0.656736 -0.003931 P\n0.526146 0.420036 0.292071 O\n0.518093 0.144542 0.989743 O\n0.559734 0.197225 0.502086 O\n0.940261 0.299404 0.997947 O\n0.981915 0.352082 0.510274 O\n0.512334 0.411683 0.705080 O\n0.012323 0.584957 0.205083 O\n0.018084 0.852081 0.489725 O\n0.481907 0.644542 0.010257 O\n0.440265 0.697225 0.497913 O\n0.059738 0.799403 0.002052 O\n0.973874 0.076583 0.207927 O\n0.487665 0.911682 0.294920 O\n0.473854 0.920036 0.707929 O\n0.026125 0.576583 0.792073 O\n0.987676 0.084957 0.794917 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.520260823809056,
"density_atomic": 0.09224373347643336,
"volume": 281.8619652536347,
"volume_molar": 6.528509344798527,
"formula_full": "Li2 V4 P4 O16",
"formula_reduced": "LiV2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0942667230769234,
"spacegroup": 14
},
{
"id": "jvasp-90420",
"created_at": "2022-09-04T14:36:07.690707Z",
"updated_at": "2022-09-04T14:36:07.690728Z",
"structure_string": "Mg1 Br2 N6\n1.0\n-3.984196 -3.984196 -0.000000\n-3.984196 0.000000 -3.984196\n-0.000000 -3.984196 -3.984196\nMg Br N\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Br\n0.750001 0.750001 0.750001 Br\n0.653398 0.653398 0.346603 N\n0.653398 0.346603 0.346603 N\n0.653398 0.346603 0.653398 N\n0.346603 0.653398 0.653398 N\n0.346603 0.653398 0.346603 N\n0.346603 0.346603 0.653398 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Br",
"N"
],
"chemical_system": "Br-Mg-N",
"density": 3.520302632606796,
"density_atomic": 0.07115254332528789,
"volume": 126.4888024993671,
"volume_molar": 8.463704146833651,
"formula_full": "Mg1 Br2 N6",
"formula_reduced": "Mg(BrN3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.159091862222221,
"spacegroup": 225
},
{
"id": "jvasp-26248",
"created_at": "2022-09-04T14:38:32.260038Z",
"updated_at": "2022-09-04T14:38:32.260073Z",
"structure_string": "As16 S16\n1.0\n0.000000 6.611614 -0.050628\n13.595015 0.000000 0.000000\n0.000000 -4.074574 -8.951973\nAs S\n16 16\ndirect\n0.354991 0.024958 0.119834 As\n0.671972 0.161542 0.962380 As\n0.671972 0.338458 0.462380 As\n0.328028 0.838458 0.037620 As\n0.141149 0.627792 0.822333 As\n0.858851 0.127792 0.677667 As\n0.858851 0.372208 0.177667 As\n0.141149 0.872209 0.322333 As\n0.328028 0.661543 0.537620 As\n0.424714 0.137394 0.571690 As\n0.424713 0.362606 0.071690 As\n0.575286 0.862606 0.428310 As\n0.354991 0.475042 0.619834 As\n0.645009 0.975043 0.880166 As\n0.645009 0.524958 0.380166 As\n0.575287 0.637394 0.928310 As\n0.944251 0.287459 0.393822 S\n0.055749 0.787459 0.106178 S\n0.607726 0.725532 0.741051 S\n0.392274 0.225532 0.758949 S\n0.392274 0.274468 0.258949 S\n0.607726 0.774468 0.241051 S\n0.092055 0.475549 0.713454 S\n0.092055 0.024451 0.213454 S\n0.907945 0.524452 0.286546 S\n0.646937 0.489664 0.846157 S\n0.353063 0.989664 0.653843 S\n0.353063 0.510336 0.153843 S\n0.646937 0.010336 0.346157 S\n0.944251 0.212541 0.893822 S\n0.907945 0.975549 0.786546 S\n0.055749 0.712541 0.606178 S\n",
"nsites": 32,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 3.520314650630779,
"density_atomic": 0.03963081423825972,
"volume": 807.4524991491872,
"volume_molar": 15.195601896531832,
"formula_full": "As16 S16",
"formula_reduced": "AsS",
"formula_anonymous": "AB",
"energy_above_hull": 1.328755875,
"spacegroup": 14
}
]
}