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=volume_molar&page=1078",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1076",
"results": [
{
"id": "jvasp-97767",
"created_at": "2022-09-04T14:36:14.697492Z",
"updated_at": "2022-09-04T14:36:14.697508Z",
"structure_string": "Ca8 P4 N12\n1.0\n5.199431 0.000000 0.000000\n-2.599716 5.160136 0.000000\n0.000000 -0.000000 11.263752\nCa P N\n8 4 12\ndirect\n0.051481 0.102961 0.857722 Ca\n0.448519 0.897039 0.357722 Ca\n0.551480 0.102961 0.642277 Ca\n0.362998 0.725998 0.925916 Ca\n0.862998 0.725998 0.574084 Ca\n0.137001 0.274003 0.425916 Ca\n0.637001 0.274003 0.074084 Ca\n0.948519 0.897039 0.142277 Ca\n0.744875 0.489750 0.835001 P\n0.755125 0.510250 0.335002 P\n0.255125 0.510250 0.164998 P\n0.244875 0.489750 0.664998 P\n0.540784 0.581569 0.750000 N\n0.160025 0.320051 0.049350 N\n0.839974 0.679950 0.950650 N\n0.339974 0.679950 0.549349 N\n0.911408 0.822818 0.359199 N\n0.411408 0.822818 0.140801 N\n0.588591 0.177183 0.859199 N\n0.040784 0.581569 0.750000 N\n0.459216 0.418432 0.250000 N\n0.959216 0.418432 0.250000 N\n0.660025 0.320051 0.450650 N\n0.088591 0.177183 0.640801 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"P",
"N"
],
"chemical_system": "Ca-N-P",
"density": 3.3660894416438194,
"density_atomic": 0.0794165825706097,
"volume": 302.2038876913581,
"volume_molar": 7.582976457902458,
"formula_full": "Ca8 P4 N12",
"formula_reduced": "Ca2PN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.0310576816666663,
"spacegroup": 64
},
{
"id": "jvasp-102251",
"created_at": "2022-09-04T14:37:14.480380Z",
"updated_at": "2022-09-04T14:37:14.480410Z",
"structure_string": "V1 F4\n1.0\n4.599307 0.171580 0.000000\n-1.188119 4.446508 0.000000\n0.000000 0.000000 3.048377\nV F\n1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.755746 0.244255 0.000000 F\n0.213834 0.213834 0.500001 F\n0.786166 0.786166 0.500001 F\n0.244255 0.755746 0.000000 F\n",
"nsites": 5,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 3.3476730291156076,
"density_atomic": 0.0794112746349436,
"volume": 62.96335152640698,
"volume_molar": 7.583483312267675,
"formula_full": "V1 F4",
"formula_reduced": "VF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.2329710660000001,
"spacegroup": 65
},
{
"id": "jvasp-71965",
"created_at": "2022-09-04T14:36:19.470205Z",
"updated_at": "2022-09-04T14:36:19.470233Z",
"structure_string": "Be2 Si1 W1\n1.0\n2.577135 0.000000 -0.000000\n0.000000 2.577135 0.000000\n0.000000 0.000000 7.584305\nBe Si W\n2 1 1\ndirect\n0.000000 0.000000 0.745088 Be\n0.000000 0.000000 0.254912 Be\n0.500001 0.500001 0.000000 Si\n0.500001 0.500001 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"W"
],
"chemical_system": "Be-Si-W",
"density": 7.580400063927877,
"density_atomic": 0.079409024947912,
"volume": 50.372108241144915,
"volume_molar": 7.583698155153268,
"formula_full": "Be2 Si1 W1",
"formula_reduced": "Be2SiW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.769367699999999,
"spacegroup": 123
},
{
"id": "jvasp-97439",
"created_at": "2022-09-04T14:38:17.650273Z",
"updated_at": "2022-09-04T14:38:17.650283Z",
"structure_string": "Na6 Fe10 O18\n1.0\n5.250132 0.003284 -0.041156\n-0.063562 9.008226 0.926916\n0.005780 0.027811 9.055968\nNa Fe O\n6 10 18\ndirect\n0.725883 0.681529 0.840310 Na\n0.774117 0.159690 0.318471 Na\n0.274117 0.318471 0.159690 Na\n0.225883 0.840310 0.681529 Na\n0.750000 0.407375 0.592624 Na\n0.250000 0.592625 0.407376 Na\n0.250000 0.067066 0.932935 Fe\n0.750000 0.932934 0.067066 Fe\n0.280863 0.979590 0.299280 Fe\n0.219137 0.700721 0.020410 Fe\n0.719137 0.020410 0.700720 Fe\n0.224303 0.202050 0.564780 Fe\n0.275697 0.435221 0.797950 Fe\n0.775697 0.797950 0.435221 Fe\n0.724303 0.564779 0.202050 Fe\n0.780863 0.299279 0.979590 Fe\n0.667344 0.834033 0.624529 O\n0.078682 0.026656 0.134795 O\n0.421318 0.865205 0.973345 O\n0.921318 0.973344 0.865205 O\n0.578682 0.134795 0.026656 O\n0.332656 0.165967 0.375471 O\n0.167344 0.624529 0.834033 O\n0.832656 0.375471 0.165967 O\n0.875964 0.729827 0.085004 O\n0.368692 0.566360 0.165194 O\n0.868692 0.165193 0.566360 O\n0.631308 0.433640 0.834806 O\n0.375964 0.085004 0.729827 O\n0.124036 0.270173 0.914996 O\n0.624036 0.914996 0.270173 O\n0.750000 0.594430 0.405570 O\n0.131308 0.834807 0.433641 O\n0.250000 0.405570 0.594430 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.817680808510634,
"density_atomic": 0.0794086141326346,
"volume": 428.1651351226265,
"volume_molar": 7.583737388920226,
"formula_full": "Na6 Fe10 O18",
"formula_reduced": "Na3Fe5O9",
"formula_anonymous": "A3B5C9",
"energy_above_hull": 2.618509764705882,
"spacegroup": 15
},
{
"id": "jvasp-38188",
"created_at": "2022-09-04T14:38:00.455109Z",
"updated_at": "2022-09-04T14:38:00.455137Z",
"structure_string": "Mn2 Cu6\n1.0\n2.611045 -4.522464 -0.000000\n2.611045 4.522464 0.000000\n-0.000000 -0.000000 4.265867\nMn Cu\n2 6\ndirect\n0.666668 0.333334 0.250000 Mn\n0.333334 0.666668 0.750001 Mn\n0.331164 0.165582 0.750001 Cu\n0.834419 0.668838 0.750001 Cu\n0.668838 0.834419 0.250000 Cu\n0.165583 0.834419 0.250000 Cu\n0.165582 0.331164 0.250000 Cu\n0.834419 0.165583 0.750001 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Cu"
],
"chemical_system": "Cu-Mn",
"density": 8.095399992667158,
"density_atomic": 0.07940780751834668,
"volume": 100.74576102799021,
"volume_molar": 7.583814423548492,
"formula_full": "Mn2 Cu6",
"formula_reduced": "MnCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7741696478448274,
"spacegroup": 194
},
{
"id": "jvasp-27716",
"created_at": "2022-09-04T14:37:05.814452Z",
"updated_at": "2022-09-04T14:37:05.814471Z",
"structure_string": "Ca2 Mn2 Ge4 O12\n1.0\n5.386499 -0.117078 1.079736\n1.227191 6.736973 0.817275\n-0.135222 0.100626 6.894369\nCa Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.307638 0.692363 Ca\n0.250000 0.692362 0.307637 Ca\n0.750000 0.907971 0.092029 Mn\n0.250000 0.092029 0.907972 Mn\n0.768711 0.384698 0.185810 Ge\n0.731289 0.814190 0.615302 Ge\n0.231289 0.615302 0.814190 Ge\n0.268711 0.185810 0.384698 Ge\n0.637917 0.984553 0.792985 O\n0.862083 0.207014 0.015447 O\n0.644799 0.626628 0.107028 O\n0.855202 0.892972 0.373372 O\n0.355202 0.373372 0.892972 O\n0.977276 0.605883 0.677357 O\n0.022725 0.394117 0.322643 O\n0.477275 0.677356 0.605883 O\n0.137917 0.792986 0.984553 O\n0.522725 0.322643 0.394117 O\n0.144799 0.107028 0.626628 O\n0.362083 0.015447 0.207015 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-Mn-O",
"density": 4.434331057123814,
"density_atomic": 0.07940756983603245,
"volume": 251.8651564491611,
"volume_molar": 7.5838371233813495,
"formula_full": "Ca2 Mn2 Ge4 O12",
"formula_reduced": "CaMn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.170823056137931,
"spacegroup": 15
},
{
"id": "jvasp-71035",
"created_at": "2022-09-04T14:36:00.094127Z",
"updated_at": "2022-09-04T14:36:00.094161Z",
"structure_string": "Mg1 Be2 Mo1\n1.0\n4.214086 0.000000 0.000000\n-0.000000 4.214086 -0.000000\n0.000000 0.000000 2.836609\nMg Be Mo\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Mo"
],
"chemical_system": "Be-Mg-Mo",
"density": 4.557942032080859,
"density_atomic": 0.07940607437117309,
"volume": 50.373979971639635,
"volume_molar": 7.583979950765867,
"formula_full": "Mg1 Be2 Mo1",
"formula_reduced": "MgBe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2410467875,
"spacegroup": 123
},
{
"id": "jvasp-100426",
"created_at": "2022-09-04T14:36:35.653785Z",
"updated_at": "2022-09-04T14:36:35.653811Z",
"structure_string": "Ba1 Sr1 Ti2 O6\n1.0\n3.979177 -0.000000 0.000000\n0.000000 3.979177 0.000000\n0.000000 0.000000 7.953624\nBa Sr Ti O\n1 1 2 6\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.744798 Ti\n0.000000 0.000000 0.255201 Ti\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.741199 O\n0.000000 0.500000 0.258801 O\n0.500000 0.000000 0.741199 O\n0.500000 0.000000 0.258801 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ti",
"O"
],
"chemical_system": "Ba-O-Sr-Ti",
"density": 5.49411153124385,
"density_atomic": 0.07940510573341276,
"volume": 125.93648616970626,
"volume_molar": 7.584072465337643,
"formula_full": "Ba1 Sr1 Ti2 O6",
"formula_reduced": "BaSrTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.214633994666667,
"spacegroup": 123
},
{
"id": "jvasp-79247",
"created_at": "2022-09-04T14:37:10.792399Z",
"updated_at": "2022-09-04T14:37:10.792432Z",
"structure_string": "Nd1 Ni1 O2\n1.0\n3.294623 0.000000 0.000000\n-0.000000 3.910342 -0.000000\n0.000000 0.000000 3.910342\nNd Ni O\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Nd\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.499999 O\n0.000000 0.499999 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"O"
],
"chemical_system": "Nd-Ni-O",
"density": 7.743907006716476,
"density_atomic": 0.07940078207925949,
"volume": 50.3773375431884,
"volume_molar": 7.584485444977828,
"formula_full": "Nd1 Ni1 O2",
"formula_reduced": "NdNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.293705225,
"spacegroup": 123
},
{
"id": "jvasp-9542",
"created_at": "2022-09-04T14:37:28.061576Z",
"updated_at": "2022-09-04T14:37:28.061602Z",
"structure_string": "Y2 Cr2 O6\n1.0\n1.750055 -3.031184 0.000000\n1.750055 3.031184 -0.000000\n-0.000000 0.000000 11.870865\nY Cr O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666665 0.333332 0.750000 Cr\n0.333332 0.666665 0.250000 Cr\n0.333332 0.666665 0.413051 O\n0.666665 0.333332 0.913052 O\n0.666665 0.333332 0.586949 O\n0.333332 0.666665 0.086949 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 4.981212125462618,
"density_atomic": 0.07940057375635008,
"volume": 125.94367429492596,
"volume_molar": 7.584505344356378,
"formula_full": "Y2 Cr2 O6",
"formula_reduced": "YCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.60425667,
"spacegroup": 194
},
{
"id": "jvasp-106031",
"created_at": "2022-09-04T14:36:22.337959Z",
"updated_at": "2022-09-04T14:36:22.337985Z",
"structure_string": "Mn3 V1 P4\n1.0\n3.189277 0.000000 0.000000\n0.000000 5.326674 0.018406\n0.000000 -0.001591 5.930935\nMn V P\n3 1 4\ndirect\n0.500001 0.002258 0.196337 Mn\n0.000000 0.495221 0.693182 Mn\n0.000000 0.994365 0.802858 Mn\n0.500001 0.507301 0.305070 V\n0.500001 0.695036 0.924315 P\n0.500001 0.191951 0.577301 P\n0.000000 0.299158 0.066534 P\n0.000000 0.814709 0.434409 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"V",
"P"
],
"chemical_system": "Mn-P-V",
"density": 5.5977005704593354,
"density_atomic": 0.07939955363914383,
"volume": 100.75623392492241,
"volume_molar": 7.584602789292126,
"formula_full": "Mn3 V1 P4",
"formula_reduced": "Mn3VP4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.144984740517241,
"spacegroup": 6
},
{
"id": "jvasp-97353",
"created_at": "2022-09-04T14:36:13.905624Z",
"updated_at": "2022-09-04T14:36:13.905655Z",
"structure_string": "Ti12 Cu12 O4\n1.0\n6.867774 0.000000 3.965111\n2.289258 6.474999 3.965111\n0.000000 0.000000 7.930222\nTi Cu O\n12 12 4\ndirect\n0.439948 0.439948 0.810052 Ti\n0.810052 0.810052 0.439947 Ti\n0.560052 0.189948 0.189948 Ti\n0.810052 0.439948 0.439948 Ti\n0.189948 0.560052 0.560052 Ti\n0.439948 0.810052 0.810052 Ti\n0.810052 0.439948 0.810052 Ti\n0.560052 0.189948 0.560052 Ti\n0.189948 0.560052 0.189948 Ti\n0.439948 0.810052 0.439947 Ti\n0.189948 0.189948 0.560052 Ti\n0.560052 0.560052 0.189948 Ti\n0.210004 0.869987 0.210004 Cu\n0.789995 0.789996 0.789995 Cu\n0.210004 0.210004 0.869987 Cu\n0.000000 0.000000 0.000000 Cu\n-0.000000 -0.000000 0.500000 Cu\n0.130013 0.789996 0.789995 Cu\n0.210004 0.210004 0.210004 Cu\n0.000000 0.500000 -0.000000 Cu\n0.789995 0.130013 0.789996 Cu\n0.869987 0.210004 0.210004 Cu\n0.500000 -0.000000 0.000000 Cu\n0.789995 0.789996 0.130013 Cu\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 6.596776994142882,
"density_atomic": 0.07939935696471541,
"volume": 352.6476922532638,
"volume_molar": 7.584621576565415,
"formula_full": "Ti12 Cu12 O4",
"formula_reduced": "Ti3Cu3O",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.927787121428572,
"spacegroup": 227
}
]
}